BASE=BASE,<BASE>,</BASE> 

ZMATRIX=bor1,FREEZM,<zmbor1>,</zmbor1> 
ZMATRIX=bor2,FREEZM,<zmbor2>,</zmbor2> 
ZMATRIX=bor3,FREEZM,<zmbor3>,</zmbor3> 
ZMATRIX=bor4,FREEZM,<zmbor4>,</zmbor4> 
ZMATRIX=bor5,FREEZM,<zmbor5>,</zmbor5> 
ZMATRIX=bor6,FREEZM,<zmbor6>,</zmbor6> 
ZMATRIX=bor7,FREEZM,<zmbor7>,</zmbor7> 
ZMATRIX=bor8,FREEZM,<zmbor8>,</zmbor8> 

AMPLITUDES=bor1,SHRINKU,<ambor1>,</ambor1> 
AMPLITUDES=bor2,SHRINKU,<ambor2>,</ambor2> 
AMPLITUDES=bor3,SHRINKU,<ambor3>,</ambor3> 
AMPLITUDES=bor4,SHRINKU,<ambor4>,</ambor4> 
AMPLITUDES=bor5,SHRINKU,<ambor5>,</ambor5> 
AMPLITUDES=bor6,SHRINKU,<ambor6>,</ambor6> 
AMPLITUDES=bor7,SHRINKU,<ambor7>,</ambor7> 
AMPLITUDES=bor8,SHRINKU,<ambor8>,</ambor8> 

GF=bor1,AUTO,0.0498340 
GF=bor2,AUTO,0.0498340 
GF=bor3,AUTO,0.0498340 
GF=bor4,AUTO,0.0498340 
GF=bor5,AUTO,0.0498340 
GF=bor6,AUTO,0.0498340 
GF=bor7,AUTO,0.0498340 
GF=bor8,AUTO,0.0498340 

INT=INT,<INT>,</INT> 


BGL=1-1,3 
BGL=2-1,4 
SEARCH=RAND,GEDINT,<scn>,</scn>,1-1,2-1

PRINT=INFO

BGL=1-1,3
BGL=2-1,4
SEARCH=RAND,GEDINT,<scn>,</scn>,1-1,2-1


PRINT=INFO

FUR=1-1,2-1

STOP



<scn>
1001 0.6  10  0.9 
1002 0.6  10  0.9 
1    0.0  10  1.0 
2    0.0  10  1.0 
3    0.0  10  1.0 
4    0.0  10  1.0 
5    0.0  10  1.0 
6    0.0  10  1.0 
7    0.0  10  1.0 
</scn>




<BASE>
 molecules bor1,bor2,bor3,bor4,bor5,bor6,bor7,bor8
 jobname triallylboran mixture
 SrchTime=10 
</BASE>


<bor1>
 formula C9H15B 
 amount  0.308357  
 varx=1
</bor1>

<bor2>
 formula C9H15B 
 amount  0.137596  
 varx=2
</bor2>

<bor3>
 formula C9H15B 
 amount  0.004354  
 varx=3
</bor3>

<bor4>
 formula C9H15B 
 amount  0.201181  
 varx=4
</bor4>

<bor5>
 formula C9H15B 
 amount  0.254867  
 varx=5
</bor5>

<bor6>
 formula C9H15B 
 amount  0.049809  
 varx=6
</bor6>

<bor7>
 formula C9H15B 
 amount  0.043832  
 varx=7
</bor7>

<bor8>
 formula C9H15B 
</bor8>



<zmbor1>
 H
 H                  1              B1
 H                  2              B2    1              A1
 H                  1              B3    2              A2    3              D1
 H                  4              B4    1              A3    2              D2
 C                  2              B5    1              A4    4              D3
 H                  6              B6    2              A5    1              D4
 H                  6              B7    2              A6    1              D5
 C                  6              B8    2              A7    1              D6
 H                  9              B9    6              A8    2              D7
 H                  6             B10    2              A9    1              D8
 H                  9             B11    6             A10    2              D9
 H                  6             B12    2             A11    1             D10
 H                  9             B13    6             A12    2             D11
 H                  9             B14    6             A13    2             D12
 C                  9             B15    6             A14    2             D13
 C                 16             B16    9             A15    6             D14
 C                 17             B17   16             A16    9             D15
 C                  9             B18    6             A17    2             D16
 H                 19             B19    9             A18    6             D17
 H                 19             B20    9             A19    6             D18
 B                 18             B21   17             A20   16             D19
 C                 19             B22    9             A21    6             D20
 C                 22             B23   18             A22   17             D21
 C                  6             B24    2             A23    1             D22

   B1             1.85062556
   B2             2.42640604
   B3             2.48069037
   B4             1.76531669
   B5             1.08707916
   B6             6.64297526
   B7             6.56046390
   B8             5.96610888
   B9             2.08976656
   B10            6.23880533
   B11            5.23448864
   B12            4.94350710
   B13            3.41786792
   B14            4.34055616
   B15            5.65801050
   B16            1.33687948
   B17            1.51247560
   B18            1.33644708
   B19            2.14713984
   B20            2.14723050
   B21            1.58694168
   B22            1.51249051
   B23            1.59771983
   B24            1.33506652
   A1            90.89721458
   A2           118.63791646
   A3           115.14608990
   A4            31.75479878
   A5           145.73195324
   A6           137.10717716
   A7           141.92505233
   A8            30.39583991
   A9           102.02219091
   A10           68.67348544
   A11          116.49182664
   A12           70.63763571
   A13           61.11736088
   A14           60.36410891
   A15           62.86238185
   A16          125.45301300
   A17            4.31921780
   A18          143.17344250
   A19           98.17849316
   A20          104.32179471
   A21          125.78533120
   A22          120.39707759
   A23          121.67241918
   D1             2.99348967
   D2            22.84025127
   D3             3.36044560
   D4            80.97357127
   D5           102.97653561
   D6            92.43299519
   D7          -117.13391588
   D8           159.68568430
   D9            74.59731652
   D10          176.33041473
   D11          100.41431407
   D12          123.20483990
   D13           81.84676591
   D14           59.19375875
   D15           16.97743894
   D16          -74.94419390
   D17           78.09773486
   D18           54.02647672
   D19          -99.18909885
   D20           45.22103195
   D21          -76.24892079
   D22         -179.55913498
</zmbor1>


<zmbor2>
 H
 C                  1              B1
 H                  2              B2    1              A1
 H                  2              B3    1              A2    3              D1
 H                  2              B4    1              A3    3              D2
 C                  2              B5    1              A4    5              D3
 C                  6              B6    2              A5    1              D4
 B                  2              B7    1              A6    7              D5
 H                  8              B8    2              A7    1              D6
 H                  8              B9    2              A8    1              D7
 C                  8             B10    2              A9    1              D8
 H                 11             B11    8             A10    2              D9
 C                 11             B12    8             A11    2             D10
 H                 13             B13   11             A12    8             D11
 H                 13             B14   11             A13    8             D12
 C                 13             B15   11             A14    8             D13
 H                  8             B16    2             A15    1             D14
 H                  8             B17    2             A16    1             D15
 H                  8             B18    2             A17    1             D16
 H                  8             B19    2             A18    1             D17
 H                  8             B20    2             A19    1             D18
 C                  8             B21    2             A20    1             D19
 C                 22             B22    8             A21    2             D20
 C                 23             B23   22             A22    8             D21
 H                  2             B24    1             A23    7             D22

   B1             1.09911309
   B2             2.80556723
   B3             3.52173964
   B4             2.21705170
   B5             2.53383283
   B6             1.33622655
   B7             1.58951849
   B8             4.47180735
   B9             3.90656473
   B10            3.59566245
   B11            2.08960224
   B12            1.33526163
   B13            2.13783757
   B14            2.14515284
   B15            1.50966415
   B16            4.29984125
   B17            3.71395211
   B18            2.85442188
   B19            2.25404579
   B20            2.23968365
   B21            3.42740598
   B22            1.33607375
   B23            1.51327584
   B24            1.09663432
   A1           137.13007917
   A2           121.81527026
   A3            90.33870330
   A4           127.01597781
   A5            29.06107672
   A6           110.86413831
   A7           108.64104807
   A8           132.71837611
   A9           116.72734061
   A10           53.57944939
   A11           31.55271171
   A12          138.02189079
   A13           96.99333301
   A14          125.45991795
   A15          102.70849110
   A16           87.35136799
   A17          133.86358097
   A18           94.17162561
   A19          138.66442715
   A20          100.48980505
   A21           35.52387969
   A22          125.32482562
   A23          108.14127840
   D1            36.22363783
   D2            67.22874515
   D3           -39.45538297
   D4            52.46963349
   D5           115.96630202
   D6            92.85985264
   D7            97.00969364
   D8            97.61108910
   D9            16.03554620
   D10           40.65607219
   D11           81.31336274
   D12           50.03829374
   D13           45.42117208
   D14           12.78777434
   D15           -7.54787950
   D16           22.93225717
   D17          -48.00829030
   D18          -64.50061296
   D19            3.16713810
   D20         -178.33363477
   D21           47.86222980
   D22         -119.58902396
</zmbor2>

<zmbor3>
 H
 H                  1              B1
 C                  1              B2    2              A1
 H                  3              B3    1              A2    2              D1
 H                  3              B4    1              A3    2              D2
 H                  3              B5    1              A4    2              D3
 H                  3              B6    1              A5    2              D4
 H                  3              B7    1              A6    2              D5
 C                  3              B8    1              A7    2              D6
 H                  9              B9    3              A8    1              D7
 H                  3             B10    1              A9    9              D8
 H                  9             B11    3             A10    1              D9
 H                  3             B12    1             A11    9             D10
 H                  9             B13    3             A12    1             D11
 H                  9             B14    3             A13    1             D12
 C                  9             B15    3             A14    1             D13
 C                 16             B16    9             A15    3             D14
 C                 17             B17   16             A16    9             D15
 C                  9             B18    3             A17    1             D16
 H                 19             B19    9             A18    3             D17
 H                 19             B20    9             A19    3             D18
 B                 18             B21   17             A20   16             D19
 C                 19             B22    9             A21    3             D20
 C                 22             B23   18             A22   17             D21
 C                  3             B24    1             A23   24             D22

   B1             1.84959647
   B2             1.08666613
   B3             2.08722243
   B4             3.25315573
   B5             2.66867422
   B6             6.90595808
   B7             6.88256420
   B8             6.26773992
   B9             2.08915857
   B10            6.34380729
   B11            5.17559519
   B12            4.67363488
   B13            3.51794308
   B14            4.54576475
   B15            5.61191893
   B16            1.33617889
   B17            1.51223878
   B18            1.33624047
   B19            2.14660963
   B20            2.14877432
   B21            1.59046554
   B22            1.51246236
   B23            1.58924009
   B24            1.33440510
   A1            31.79248694
   A2            94.43969738
   A3           141.66380898
   A4           174.02192357
   A5           114.10294459
   A6           121.52230374
   A7           117.27944533
   A8            29.89361634
   A9           135.85772354
   A10           70.02166266
   A11          153.82890809
   A12           67.11166446
   A13           54.94638611
   A14           60.17879079
   A15           65.41804996
   A16          125.67777569
   A17           10.46764803
   A18          143.42842443
   A19           98.23086248
   A20          105.34985195
   A21          125.60519044
   A22          118.43066579
   A23          121.83212376
   D1           179.94170452
   D2           155.73483355
   D3           150.23386176
   D4          -170.37671346
   D5          -155.06182490
   D6          -162.63214401
   D7           -42.93600288
   D8            78.98323415
   D9           129.58848734
   D10           87.62314672
   D11          157.10778916
   D12          176.68750192
   D13          133.97467516
   D14           46.97714864
   D15           21.94460050
   D16           23.84862233
   D17          115.23436738
   D18           92.06553724
   D19         -102.34209106
   D20           82.74306223
   D21          -88.93841556
   D22           -1.32068271
</zmbor3>

<zmbor4>
 H
 C                  1              B1
 C                  2              B2    1              A1
 H                  3              B3    2              A2    1              D1
 H                  3              B4    2              A3    1              D2
 C                  2              B5    1              A4    3              D3
 H                  6              B6    2              A5    1              D4
 C                  6              B7    2              A6    1              D5
 C                  2              B8    1              A7    3              D6
 C                  9              B9    2              A8    1              D7
 B                  9             B10    2              A9    1              D8
 C                  6             B11    2             A10    1              D9
 C                 10             B12    9             A11    2             D10
 H                 10             B13    9             A12    2             D11
 H                 10             B14    9             A13    2             D12
 H                  9             B15    2             A14    1             D13
 H                  9             B16    2             A15    1             D14
 H                  8             B17    6             A16    2             D15
 H                  8             B18    6             A17    2             D16
 C                 13             B19   10             A18    9             D17
 H                  6             B20    2             A19    1             D18
 H                  6             B21    2             A20    1             D19
 H                 13             B22   10             A21    9             D20
 H                 20             B23   13             A22   10             D21
 H                 20             B24   13             A23   10             D22

   B1             1.09176044
   B2             1.33469544
   B3             1.08870473
   B4             1.08675513
   B5             5.47069607
   B6             2.08703494
   B7             2.52447228
   B8             1.50193070
   B9             2.75059057
   B10            1.58803376
   B11            1.33473026
   B12            1.50192869
   B13            1.10126174
   B14            1.10631046
   B15            1.10628344
   B16            1.10127294
   B17            1.10129346
   B18            1.10625715
   B19            1.33470095
   B20            1.08870079
   B21            1.08675810
   B22            1.09176352
   B23            1.08675819
   B24            1.08868676
   A1           118.33394880
   A2           121.69684348
   A3           121.83707430
   A4           128.45206457
   A5            54.15132911
   A6            45.22173572
   A7           116.05289644
   A8            88.25628573
   A9           118.23791164
   A10           43.40575881
   A11          148.03954001
   A12           86.91023280
   A13           90.30690155
   A14          109.90730348
   A15          110.68635845
   A16           85.56432892
   A17          122.20224421
   A18          125.59605880
   A19          105.93259585
   A20          119.43936522
   A21          116.06772466
   A22          121.83313928
   A23          121.70239717
   D1           179.81286103
   D2            -0.07584742
   D3          -174.85655034
   D4           -39.59212700
   D5            36.14214899
   D6          -178.98555916
   D7            63.17634534
   D8            64.30078406
   D9            -5.66417017
   D10          169.54845635
   D11           44.00077146
   D12          -59.75313382
   D13          -57.20862899
   D14         -171.21955472
   D15          117.99366691
   D16         -138.54197588
   D17         -109.72133697
   D18          113.93250973
   D19         -112.19479039
   D20           69.19217924
   D21          178.80079081
   D22           -1.29853985
</zmbor4>

<zmbor5>
 C
 H                  1              B1
 H                  2              B2    1              A1
 C                  1              B3    3              A2    2              D1
 H                  4              B4    1              A3    3              D2
 H                  4              B5    1              A4    5              D3
 H                  4              B6    1              A5    5              D4
 H                  1              B7    4              A6    2              D5
 H                  1              B8    4              A7    2              D6
 H                  1              B9    4              A8    2              D7
 C                  4             B10    1              A9   10              D8
 C                 11             B11    4             A10    1              D9
 C                 12             B12   11             A11    4             D10
 C                  4             B13    1             A12   13             D11
 H                 14             B14    4             A13    1             D12
 H                 14             B15    4             A14    1             D13
 B                 13             B16   12             A15   11             D14
 C                 14             B17    4             A16    1             D15
 C                  1             B18   17             A17   13             D16
 H                 19             B19    1             A18   17             D17
 C                 19             B20    1             A19   17             D18
 H                 21             B21   19             A20    1             D19
 H                 21             B22   19             A21    1             D20
 H                  1             B23   19             A22   21             D21
 H                  1             B24   19             A23   21             D22

   B1             5.06026417
   B2             1.85288291
   B3             4.37981468
   B4             2.09199081
   B5             4.60862283
   B6             3.99442156
   B7             4.45169446
   B8             2.97766717
   B9             2.81977297
   B10            4.04878131
   B11            1.33501785
   B12            1.50195961
   B13            1.33643081
   B14            2.14704628
   B15            2.14955880
   B16            1.58947077
   B17            1.51616642
   B18            1.51175653
   B19            1.09103033
   B20            1.33613141
   B21            1.08672055
   B22            1.08838281
   B23            1.09943220
   B24            1.09711982
   A1            73.33400468
   A2            12.10774536
   A3            44.81324983
   A4            85.33227615
   A5            77.43171760
   A6            61.26356251
   A7            60.96156326
   A8            84.51160262
   A9            74.78465662
   A10           77.42515525
   A11          125.95941216
   A12           31.31776658
   A13          145.42779254
   A14           98.75076395
   A15          118.41498733
   A16          125.33329412
   A17          106.06214599
   A18          115.85452752
   A19          125.58739038
   A20          121.65715516
   A21          121.78755122
   A22          109.26192175
   A23          109.67892574
   D1           -16.29889904
   D2          -157.32589447
   D3           166.27044456
   D4          -171.35895122
   D5           155.13806497
   D6           104.47708807
   D7           131.67670991
   D8             2.04738986
   D9           -28.26947045
   D10           68.14431473
   D11         -133.89364197
   D12          105.05373019
   D13           86.38767475
   D14         -116.28000738
   D15           74.74185789
   D16           99.18303430
   D17           73.82394918
   D18         -103.47530743
   D19          178.15412781
   D20           -2.75329450
   D21          136.17931609
   D22           17.98030926
</zmbor5>

<zmbor6>
 H
 H                  1              B1
 H                  2              B2    1              A1
 C                  3              B3    2              A2    1              D1
 B                  4              B4    3              A3    2              D2
 H                  5              B5    4              A4    3              D3
 H                  5              B6    4              A5    3              D4
 C                  5              B7    4              A6    3              D5
 H                  8              B8    5              A7    4              D6
 C                  8              B9    5              A8    4              D7
 H                 10             B10    8              A9    5              D8
 H                 10             B11    8             A10    5              D9
 C                 10             B12    8             A11    5             D10
 H                  5             B13    4             A12    3             D11
 H                  5             B14    4             A13    3             D12
 H                  5             B15    4             A14    3             D13
 H                  5             B16    4             A15    3             D14
 H                  5             B17    4             A16    3             D15
 C                  5             B18    4             A17    3             D16
 C                 19             B19    5             A18    4             D17
 C                 20             B20   19             A19    5             D18
 C                  4             B21    3             A20    2             D19
 H                  4             B22    3             A21    2             D20
 H                 22             B23    4             A22    3             D21
 C                 22             B24    4             A23    3             D22

   B1             1.84999753
   B2             2.47812755
   B3             1.09732395
   B4             1.59025714
   B5             3.92657654
   B6             4.48859336
   B7             3.61286347
   B8             2.08982925
   B9             1.33460264
   B10            2.13664966
   B11            2.14661111
   B12            1.50992008
   B13            4.46929295
   B14            3.90767639
   B15            2.88470912
   B16            2.25792274
   B17            2.18960000
   B18            3.59479118
   B19            1.33472775
   B20            1.51066292
   B21            1.51018169
   B22            1.10447868
   B23            1.09019854
   B24            1.33462521
   A1           118.93096514
   A2            95.06479576
   A3           113.01813333
   A4           128.69308396
   A5           104.52398758
   A6           112.87729367
   A7            53.14725281
   A8            31.03675088
   A9           137.32387678
   A10           96.78189234
   A11          125.26037672
   A12          116.61273087
   A13           99.44307942
   A14          145.27564525
   A15           93.65699342
   A16          133.00229386
   A17          112.96345075
   A18           31.40778212
   A19          125.29528805
   A20          109.82408926
   A21          106.99713341
   A22          115.98677457
   A23          125.24963605
   D1             9.37115641
   D2           117.46882987
   D3           -48.38626550
   D4           -50.39985599
   D5           -46.42001184
   D6            19.55835914
   D7            44.11707813
   D8            81.02003652
   D9            49.18594892
   D10           44.93248883
   D11         -135.93261914
   D12         -154.18652555
   D13         -125.34119489
   D14          169.70269739
   D15          140.93124694
   D16         -145.27476899
   D17         -174.76277348
   D18           45.44882956
   D19           -7.33734432
   D20         -125.06656427
   D21         -172.34676773
   D22            9.33731891
</zmbor6>

<zmbor7>
 H
 C                  1              B1
 C                  2              B2    1              A1
 H                  3              B3    2              A2    1              D1
 H                  3              B4    2              A3    1              D2
 C                  2              B5    1              A4    3              D3
 H                  6              B6    2              A5    1              D4
 C                  6              B7    2              A6    1              D5
 C                  2              B8    1              A7    3              D6
 C                  9              B9    2              A8    1              D7
 B                  9             B10    2              A9    1              D8
 C                  6             B11    2             A10    1              D9
 C                 10             B12    9             A11    2             D10
 H                 10             B13    9             A12    2             D11
 H                 10             B14    9             A13    2             D12
 H                  9             B15    2             A14    1             D13
 H                  9             B16    2             A15    1             D14
 H                  8             B17    6             A16    2             D15
 H                  8             B18    6             A17    2             D16
 C                 13             B19   10             A18    9             D17
 H                  6             B20    2             A19    1             D18
 H                  6             B21    2             A20    1             D19
 H                 13             B22   10             A21    9             D20
 H                 20             B23   13             A22   10             D21
 H                 20             B24   13             A23   10             D22

   B1             1.09173264
   B2             1.33467430
   B3             1.08866184
   B4             1.08657335
   B5             5.44157087
   B6             2.08760189
   B7             2.52409112
   B8             1.50188728
   B9             2.75036222
   B10            1.58804019
   B11            1.33478004
   B12            1.50185466
   B13            1.10120525
   B14            1.10654762
   B15            1.10619404
   B16            1.10149091
   B17            1.10181406
   B18            1.10570381
   B19            1.33468536
   B20            1.08871805
   B21            1.08673319
   B22            1.09172843
   B23            1.08676394
   B24            1.08866898
   A1           118.35676462
   A2           121.66307366
   A3           121.84392291
   A4           129.46451642
   A5            55.66416271
   A6            45.82421215
   A7           116.04728372
   A8            88.27865855
   A9           118.21322433
   A10           44.79297613
   A11          148.13157890
   A12           87.23537261
   A13           89.91465791
   A14          109.94200213
   A15          110.67654099
   A16           85.50840132
   A17          122.48613142
   A18          125.54921337
   A19          104.64971496
   A20          119.72800368
   A21          116.10361020
   A22          121.83461765
   A23          121.68011059
   D1           179.80626117
   D2            -0.05569548
   D3          -174.26635119
   D4           -38.95772914
   D5            35.23676674
   D6          -178.94245238
   D7            62.13131550
   D8            64.32638271
   D9            -5.88481170
   D10          168.93448162
   D11           42.71567245
   D12          -61.05017274
   D13          -57.36946077
   D14         -171.32658040
   D15          116.47554023
   D16         -140.09913988
   D17         -110.84117121
   D18          114.54069600
   D19         -112.61121863
   D20           67.99781211
   D21          178.72107020
   D22           -1.40456995
</zmbor7>

<zmbor8>
 H
 H                  1              B1
 H                  2              B2    1              A1
 C                  3              B3    2              A2    1              D1
 B                  4              B4    3              A3    2              D2
 H                  5              B5    4              A4    3              D3
 H                  5              B6    4              A5    3              D4
 C                  5              B7    4              A6    3              D5
 H                  8              B8    5              A7    4              D6
 C                  8              B9    5              A8    4              D7
 H                 10             B10    8              A9    5              D8
 H                 10             B11    8             A10    5              D9
 C                 10             B12    8             A11    5             D10
 H                  5             B13    4             A12    3             D11
 H                  5             B14    4             A13    3             D12
 H                  5             B15    4             A14    3             D13
 H                  5             B16    4             A15    3             D14
 H                  5             B17    4             A16    3             D15
 C                  5             B18    4             A17    3             D16
 C                 19             B19    5             A18    4             D17
 C                 20             B20   19             A19    5             D18
 C                  4             B21    3             A20    2             D19
 H                  4             B22    3             A21    2             D20
 H                 22             B23    4             A22    3             D21
 C                 22             B24    4             A23    3             D22

   B1             1.85196067
   B2             3.74554154
   B3             1.09747525
   B4             1.58768325
   B5             4.57633638
   B6             3.95666875
   B7             3.67954921
   B8             2.08721362
   B9             1.33461621
   B10            2.14773543
   B11            2.14166549
   B12            1.50365031
   B13            4.62266265
   B14            3.99873364
   B15            3.02673373
   B16            2.12964342
   B17            2.21935358
   B18            3.72067005
   B19            1.33479806
   B20            1.50212192
   B21            1.51642132
   B22            1.09460058
   B23            1.09087952
   B24            1.33628743
   A1            91.78358831
   A2            26.29120073
   A3           111.68982405
   A4            91.62816420
   A5           113.48593439
   A6           100.20343573
   A7            54.90948563
   A8            31.88549660
   A9            97.26271567
   A10          138.04009248
   A11          125.47775659
   A12           88.59351466
   A13          107.51383843
   A14           78.24197451
   A15          126.81101796
   A16          141.44531495
   A17           96.64504172
   A18           30.87745951
   A19          125.54686581
   A20          109.57458186
   A21          108.27673947
   A22          115.90320006
   A23          125.39352474
   D1          -116.59433576
   D2           160.14850950
   D3           -17.26977153
   D4            -7.99546233
   D5           -17.07685296
   D6           -45.19915473
   D7           -67.53875700
   D8           -46.93300855
   D9           -77.09104538
   D10          -41.25503357
   D11          154.52673230
   D12          168.44638456
   D13          127.97939707
   D14           99.21695853
   D15          164.22390419
   D16          156.86412626
   D17          -78.87208482
   D18          -39.84755399
   D19           44.71847773
   D20          -74.98629741
   D21           36.28600287
   D22         -146.87614811
</zmbor8>




<ambor1>
   1  H1   C6   1.0887     0.0755    0.0031    0.0000    0.00215 
   2  H2   C6   1.0871     0.0753    0.0034    0.0000    0.00186 
   3  H3   C25  1.0917     0.0761    0.0035    0.0000    0.00183 
   4  H4   C24  1.1027     0.0777    0.0039    0.0000    0.00157 
   5  H5   C24  1.1002     0.0774    0.0042    0.0000    0.00128 
   6  C6   C25  1.3351     0.0410    0.0008    0.0000    0.00046 
   7  H7   C9   1.0871     0.0753    0.0031    0.0000    0.00215 
   8  H8   C9   1.0884     0.0755    0.0034    0.0000    0.00184 
   9  C9   C19  1.3364     0.0411    0.0006    0.0000    0.00063 
  10  H10  C19  1.0914     0.0761    0.0038    0.0000    0.00151 
  11  H11  C16  1.0869     0.0753    0.0031    0.0000    0.00210 
  12  H12  C16  1.0884     0.0755    0.0034    0.0000    0.00188 
  13  H13  C17  1.0912     0.0760    0.0036    0.0000    0.00174 
  14  H14  C18  1.0964     0.0768    0.0039    0.0000    0.00146 
  15  H15  C18  1.0996     0.0773    0.0039    0.0000    0.00153 
  16  C16  C17  1.3369     0.0412    0.0008    0.0000    0.00043 
  17  C17  C18  1.5125     0.0511    0.0015    0.0000    0.00027 
  18  C18  B22  1.5869     0.0541    0.0009    0.0000    0.00097 
  19  C19  C23  1.5125     0.0510    0.0011    0.0000    0.00060 
  20  H20  C23  1.0979     0.0770    0.0039    0.0000    0.00150 
  21  H21  C23  1.0972     0.0769    0.0041    0.0000    0.00132 
  22  B22  C23  1.5892     0.0543    0.0016    0.0000    0.00024 
  23  B22  C24  1.5977     0.0547    0.0014    0.0000    0.00049 
  24  C24  C25  1.5089     0.0504    0.0011    0.0000    0.00058 
  25  H1   H2   1.8506     0.1187    0.0075   -0.0087    0.00882 
  26  H1   H3   3.0746     0.1180    0.0083   -0.0209    0.01710 
  27  H1   H4   2.4807     0.2246   -0.0031    0.0241   -0.00066 
  28  H1   H5   3.6044     0.2079    0.0028   -0.0308    0.03998 
  29  H1   H7   6.2313     0.5736    0.0037   -0.0677    0.11679 
  30  H1   H8   6.4421     0.4590    0.0007   -0.1151    0.14712 
  31  H1   C9   5.7021     0.4898    0.0014   -0.0669    0.10750 
  32  H1   H10  3.8092     0.5855   -0.0064    0.0593    0.03705 
  33  H1   H11  7.0704     0.4311    0.0160   -0.1196    0.12997 
  34  H1   H12  6.9692     0.5515    0.0034   -0.1246    0.16488 
  35  H1   H13  5.6638     0.3364    0.0118   -0.0647    0.07291 
  36  H1   H14  6.1049     0.2740    0.0096   -0.0562    0.05886 
  37  H1   H15  5.7133     0.2231    0.0091   -0.0537    0.05327 
  38  H1   C16  6.5637     0.3859    0.0097   -0.1031    0.11613 
  39  H1   C17  5.7740     0.2186    0.0097   -0.0709    0.06939 
  40  H1   C18  5.3760     0.2048    0.0073   -0.0489    0.04942 
  41  H1   C19  4.3795     0.4722    0.0014   -0.0112    0.06064 
  42  H1   H20  3.2576     0.5074    0.0001    0.0152    0.06376 
  43  H1   H21  4.9188     0.4440    0.0064   -0.0566    0.09023 
  44  H1   B22  3.8650     0.2391    0.0060   -0.0268    0.03558 
  45  H1   C23  3.9453     0.4016    0.0027   -0.0182    0.05634 
  46  H1   C24  2.8113     0.1451    0.0016   -0.0092    0.01504 
  47  H1   C25  2.1210     0.0971    0.0050   -0.0083    0.00774 
  48  H2   H3   2.4264     0.1635   -0.0007   -0.0076    0.01935 
  49  H2   H4   3.7389     0.1646    0.0008   -0.0146    0.02099 
  50  H2   H5   4.1670     0.1556    0.0027   -0.0315    0.03461 
  51  H2   H7   7.5662     0.4079    0.0078   -0.1163    0.13045 
  52  H2   H8   7.3940     0.3152    0.0015   -0.1358    0.14783 
  53  H2   C9   6.8547     0.3243    0.0045   -0.0997    0.11054 
  54  H2   H10  5.2352     0.4854   -0.0020   -0.0070    0.05404 
  55  H2   H11  6.5521     0.4853    0.0135   -0.0626    0.08496 
  56  H2   H12  6.8321     0.5668    0.0061   -0.0906    0.13152 
  57  H2   H13  5.5149     0.4059    0.0089   -0.0322    0.05316 
  58  H2   H14  6.6325     0.2143    0.0100   -0.0579    0.05480 
  59  H2   H15  6.3256     0.2129    0.0104   -0.0621    0.05884 
  60  H2   C16  6.3161     0.4046    0.0087   -0.0617    0.07889 
  61  H2   C17  5.7604     0.2329    0.0082   -0.0425    0.04366 
  62  H2   C18  5.8418     0.1702    0.0075   -0.0461    0.04363 
  63  H2   C19  5.5277     0.3326    0.0037   -0.0444    0.06077 
  64  H2   H20  3.8107     0.3519   -0.0012    0.0258    0.00792 
  65  H2   H21  5.3612     0.3672    0.0046   -0.0473    0.06791 
  66  H2   B22  4.4859     0.1632    0.0054   -0.0292    0.02966 
  67  H2   C23  4.6299     0.2719    0.0026   -0.0212    0.03456 
  68  H2   C24  3.5219     0.0969    0.0008   -0.0180    0.01988 
  69  H2   C25  2.1185     0.0970   -0.0002   -0.0081    0.01266 
  70  H3   H4   3.0899     0.1268    0.0080   -0.0267    0.02386 
  71  H3   H5   2.5314     0.1834    0.0088   -0.0034    0.00794 
  72  H3   C6   2.0889     0.0970    0.0042   -0.0065    0.00679 
  73  H3   H7   7.0231     0.3065    0.0133   -0.1181    0.11825 
  74  H3   H8   6.4690     0.3149    0.0059   -0.1122    0.12157 
  75  H3   C9   6.1598     0.2668    0.0095   -0.0950    0.09711 
  76  H3   H10  5.0289     0.3673    0.0011   -0.0446    0.07033 
  77  H3   H11  4.3709     0.4906    0.0131    0.0313    0.01064 
  78  H3   H12  4.8787     0.5430    0.0066   -0.0372    0.09102 
  79  H3   H13  3.1181     0.4201    0.0101    0.0776   -0.03105 
  80  H3   H14  4.8204     0.2388    0.0125   -0.0250    0.02435 
  81  H3   H15  4.3669     0.2848    0.0145   -0.0194    0.02350 
  82  H3   C16  4.1599     0.4242    0.0085    0.0131    0.02164 
  83  H3   C17  3.5043     0.2583    0.0092    0.0392   -0.02940 
  84  H3   C18  3.9015     0.2137    0.0102   -0.0029    0.00435 
  85  H3   C19  4.9683     0.2648    0.0062   -0.0558    0.06368 
  86  H3   H20  3.4604     0.3277    0.0002    0.0000    0.03077 
  87  H3   H21  4.3386     0.3577    0.0048   -0.0303    0.05503 
  88  H3   B22  2.9855     0.1840    0.0072   -0.0077    0.01188 
  89  H3   C23  3.7772     0.2609    0.0034   -0.0202    0.03481 
  90  H3   C24  2.2108     0.1035    0.0055   -0.0064    0.00579 
  91  H4   H5   1.7653     0.1244    0.0054   -0.0058    0.00920 
  92  H4   C6   2.6561     0.1515   -0.0024    0.0048    0.00624 
  93  H4   H7   4.8391     0.5255    0.0071   -0.0495    0.09950 
  94  H4   H8   5.0315     0.4387    0.0044   -0.0859    0.11974 
  95  H4   C9   4.3243     0.4389    0.0041   -0.0490    0.08949 
  96  H4   H10  2.7590     0.4278   -0.0072    0.0545    0.01902 
  97  H4   H11  6.0671     0.3335    0.0118   -0.0886    0.09518 
  98  H4   H12  5.7532     0.3803   -0.0037   -0.0985    0.12734 
  99  H4   H13  4.2098     0.3210    0.0100   -0.0199    0.03439 
 100  H4   H14  4.2183     0.1744    0.0086   -0.0269    0.02555 
 101  H4   H15  3.4875     0.2272    0.0090   -0.0067    0.01253 
 102  H4   C16  5.3377     0.2916    0.0050   -0.0743    0.08519 
 103  H4   C17  4.2460     0.2090    0.0069   -0.0371    0.04056 
 104  H4   C18  3.4435     0.1457    0.0061   -0.0163    0.01636 
 105  H4   C19  3.1738     0.3367    0.0010   -0.0031    0.03781 
 106  H4   H20  3.0629     0.2616   -0.0015   -0.0002    0.02406 
 107  H4   H21  4.0179     0.1820    0.0047   -0.0377    0.04127 
 108  H4   B22  2.1921     0.1209    0.0039   -0.0066    0.00938 
 109  H4   C23  2.9843     0.1764   -0.0001   -0.0070    0.01751 
 110  H4   C25  2.1371     0.1081    0.0031   -0.0056    0.00798 
 111  H5   C6   3.2631     0.1324    0.0017   -0.0200    0.02364 
 112  H5   H7   5.9268     0.4507    0.0131   -0.0792    0.10044 
 113  H5   H8   5.7157     0.4380    0.0101   -0.0974    0.12092 
 114  H5   C9   5.2751     0.3745    0.0103   -0.0691    0.08535 
 115  H5   H10  4.2124     0.3462   -0.0012   -0.0051    0.03472 
 116  H5   H11  5.0095     0.4511    0.0140   -0.0634    0.09003 
 117  H5   H12  5.1101     0.3619    0.0010   -0.0958    0.12047 
 118  H5   H13  2.8008     0.4333    0.0071    0.0462    0.01364 
 119  H5   H14  3.8624     0.1768    0.0104   -0.0288    0.02652 
 120  H5   H15  2.6563     0.2479    0.0082    0.0228   -0.00784 
 121  H5   C16  4.4275     0.3710    0.0067   -0.0587    0.08312 
 122  H5   C17  3.1898     0.3143    0.0062   -0.0077    0.03247 
 123  H5   C18  2.8206     0.1653    0.0065   -0.0014    0.00461 
 124  H5   C19  4.2787     0.2450    0.0058   -0.0302    0.03847 
 125  H5   H20  3.9410     0.1777    0.0038   -0.0160    0.02019 
 126  H5   H21  4.4525     0.1576    0.0083   -0.0399    0.03713 
 127  H5   B22  2.2436     0.1115    0.0044   -0.0061    0.00729 
 128  H5   C23  3.6800     0.1089    0.0041   -0.0188    0.01796 
 129  H5   C25  2.1460     0.1064    0.0041   -0.0057    0.00686 
 130  C6   H7   6.6430     0.4127    0.0052   -0.0893    0.10979 
 131  C6   H8   6.5605     0.2933    0.0003   -0.1147    0.12748 
 132  C6   C9   5.9661     0.3224    0.0022   -0.0775    0.09272 
 133  C6   H10  4.2957     0.4728   -0.0058    0.0184    0.03949 
 134  C6   H11  6.2388     0.4254    0.0145   -0.0727    0.08724 
 135  C6   H12  6.3466     0.5168    0.0039   -0.0930    0.13117 
 136  C6   H13  4.9435     0.3459    0.0098   -0.0273    0.04171 
 137  C6   H14  5.8099     0.1797    0.0089   -0.0442    0.04088 
 138  C6   H15  5.4239     0.1792    0.0089   -0.0435    0.04048 
 139  C6   C16  5.8501     0.3596    0.0085   -0.0656    0.07914 
 140  C6   C17  5.1370     0.1789    0.0082   -0.0385    0.03651 
 141  C6   C18  5.0089     0.1274    0.0064   -0.0333    0.03021 
 142  C6   C19  4.6346     0.3244    0.0010   -0.0251    0.04677 
 143  C6   H20  3.1615     0.3384   -0.0025    0.0299    0.00882 
 144  C6   H21  4.7063     0.3179    0.0041   -0.0402    0.05758 
 145  C6   B22  3.5945     0.1406    0.0041   -0.0172    0.01855 
 146  C6   C23  3.8511     0.2484    0.0009   -0.0102    0.02536 
 147  C6   C24  2.5353     0.0641   -0.0007   -0.0052    0.00747 
 148  H7   H8   1.8508     0.1187    0.0076   -0.0085    0.00853 
 149  H7   H10  2.4269     0.1636    0.0096   -0.0077    0.00914 
 150  H7   H11  7.7362     0.5254    0.0076   -0.1682    0.19628 
 151  H7   H12  6.2617     0.7104   -0.0088   -0.1050    0.19436 
 152  H7   H13  6.8881     0.3334    0.0155   -0.1267    0.12727 
 153  H7   H14  4.2885     0.5321    0.0093    0.0176    0.03906 
 154  H7   H15  5.0251     0.4999    0.0123   -0.0209    0.05826 
 155  H7   C16  6.6765     0.5218    0.0050   -0.1228    0.15856 
 156  H7   C17  6.1324     0.3630    0.0110   -0.0951    0.10552 
 157  H7   C18  4.7513     0.3692    0.0103   -0.0242    0.04250 
 158  H7   C19  2.1194     0.0969    0.0054   -0.0078    0.00691 
 159  H7   H20  4.2064     0.1544    0.0084   -0.0342    0.03148 
 160  H7   H21  3.7644     0.1666    0.0089   -0.0146    0.01299 
 161  H7   B22  4.2883     0.2210    0.0097   -0.0320    0.03368 
 162  H7   C23  3.5245     0.0972    0.0073   -0.0179    0.01331 
 163  H7   C24  5.2604     0.3802    0.0096   -0.0654    0.08328 
 164  H7   C25  6.2939     0.3196    0.0094   -0.0902    0.09703 
 165  H8   H10  3.0749     0.1182    0.0053   -0.0214    0.02072 
 166  H8   H11  6.2897     0.6785   -0.0018   -0.0838    0.15880 
 167  H8   H12  4.6505     0.8055   -0.0162    0.0131    0.14268 
 168  H8   H13  5.9128     0.4527    0.0102   -0.1017    0.12622 
 169  H8   H14  3.0735     0.5660    0.0056    0.0958    0.00281 
 170  H8   H15  4.3675     0.5914    0.0114   -0.0194    0.08815 
 171  H8   C16  5.2433     0.6483   -0.0024   -0.0392    0.12174 
 172  H8   C17  4.9837     0.4869    0.0055   -0.0481    0.09013 
 173  H8   C18  3.8079     0.4695    0.0068    0.0052    0.04592 
 174  H8   C19  2.1219     0.0973   -0.0009   -0.0087    0.01406 
 175  H8   H20  3.6901     0.2015    0.0008   -0.0370    0.04720 
 176  H8   H21  2.5235     0.2349   -0.0019    0.0248   -0.00104 
 177  H8   B22  3.6719     0.3036    0.0038   -0.0322    0.05353 
 178  H8   C23  2.8106     0.1462   -0.0008   -0.0090    0.01733 
 179  H8   C24  5.0593     0.3418    0.0045   -0.0828    0.10139 
 180  H8   C25  5.9901     0.2326    0.0032   -0.1012    0.10701 
 181  C9   H10  2.0898     0.0971    0.0050   -0.0070    0.00649 
 182  C9   H11  6.7044     0.5205    0.0047   -0.1209    0.15666 
 183  C9   H12  5.2345     0.6866   -0.0107   -0.0587    0.15949 
 184  C9   H13  5.9882     0.3063    0.0128   -0.1002    0.10301 
 185  C9   H14  3.4179     0.4689    0.0078    0.0429    0.01359 
 186  C9   H15  4.3406     0.4440    0.0111   -0.0136    0.04792 
 187  C9   C16  5.6580     0.5091    0.0025   -0.0812    0.12450 
 188  C9   C17  5.1865     0.3412    0.0086   -0.0657    0.07954 
 189  C9   C18  3.8908     0.3335    0.0083   -0.0062    0.02652 
 190  C9   H20  3.3151     0.1292    0.0049   -0.0237    0.02381 
 191  C9   H21  2.6857     0.1554    0.0056    0.0051   -0.00167 
 192  C9   B22  3.4072     0.2063    0.0066   -0.0212    0.02709 
 193  C9   C23  2.5373     0.0649    0.0037   -0.0050    0.00302 
 194  C9   C24  4.5583     0.3114    0.0060   -0.0560    0.07134 
 195  C9   C25  5.5228     0.2357    0.0058   -0.0745    0.07874 
 196  H10  H11  6.9534     0.3809    0.0023   -0.1535    0.17212 
 197  H10  H12  5.9161     0.5435   -0.0116   -0.1411    0.20261 
 198  H10  H13  5.7746     0.2721    0.0043   -0.0851    0.09355 
 199  H10  H14  4.1678     0.3993    0.0039   -0.0510    0.08538 
 200  H10  H15  4.4302     0.3811    0.0029   -0.0359    0.06581 
 201  H10  C16  6.0107     0.3683   -0.0015   -0.1262    0.15030 
 202  H10  C17  5.2752     0.2263    0.0016   -0.0847    0.09285 
 203  H10  C18  4.0769     0.2729    0.0011   -0.0419    0.05907 
 204  H10  H20  2.4790     0.1838    0.0007    0.0010    0.01185 
 205  H10  H21  3.0885     0.1275    0.0054   -0.0271    0.02694 
 206  H10  B22  2.8961     0.1842   -0.0002   -0.0077    0.01958 
 207  H10  C23  2.2162     0.1035    0.0004   -0.0064    0.01078 
 208  H10  C24  3.3390     0.3313   -0.0039    0.0112    0.02562 
 209  H10  C25  4.1458     0.3757   -0.0028   -0.0045    0.04137 
 210  H11  H12  1.8509     0.1187    0.0075   -0.0088    0.00890 
 211  H11  H13  2.4283     0.1640    0.0105   -0.0081    0.00858 
 212  H11  H14  3.7767     0.1682    0.0017   -0.0132    0.01899 
 213  H11  H15  4.2153     0.1569    0.0096   -0.0370    0.03327 
 214  H11  C17  2.1197     0.0972    0.0060   -0.0081    0.00656 
 215  H11  C18  3.5222     0.0974    0.0046   -0.0181    0.01618 
 216  H11  C19  6.2030     0.4069    0.0021   -0.1107    0.13530 
 217  H11  H20  5.2858     0.5904    0.0047   -0.0542    0.11542 
 218  H11  H21  4.4695     0.5908   -0.0022    0.0038    0.07652 
 219  H11  B22  4.2393     0.2614    0.0038   -0.0362    0.04846 
 220  H11  C23  4.8983     0.4516    0.0016   -0.0452    0.08524 
 221  H11  C24  5.0225     0.3435    0.0090   -0.0554    0.06984 
 222  H11  C25  5.0908     0.4019    0.0119   -0.0359    0.05574 
 223  H12  H13  3.0754     0.1180    0.0051   -0.0209    0.02030 
 224  H12  H14  2.5416     0.2412   -0.0148    0.0270    0.01073 
 225  H12  H15  3.7082     0.2040   -0.0053   -0.0429    0.05937 
 226  H12  C17  2.1220     0.0971   -0.0010   -0.0083    0.01377 
 227  H12  C18  2.8042     0.1469   -0.0097   -0.0096    0.02691 
 228  H12  C19  4.9958     0.5755   -0.0128   -0.0809    0.15997 
 229  H12  H20  4.4943     0.6998   -0.0035   -0.0558    0.16824 
 230  H12  H21  3.1769     0.7025   -0.0123    0.0591    0.10851 
 231  H12  B22  3.6094     0.3614   -0.0097   -0.0403    0.08617 
 232  H12  C23  3.8748     0.5881   -0.0100   -0.0295    0.12871 
 233  H12  C24  4.8864     0.3700   -0.0043   -0.0776    0.10996 
 234  H12  C25  5.2672     0.4627    0.0019   -0.0700    0.10871 
 235  H13  H14  3.0907     0.1286    0.0083   -0.0288    0.02587 
 236  H13  H15  2.4652     0.1826    0.0074    0.0042    0.00193 
 237  H13  C16  2.0907     0.0970    0.0051   -0.0066    0.00592 
 238  H13  C18  2.2188     0.1037    0.0056   -0.0066    0.00584 
 239  H13  C19  5.2962     0.2020    0.0079   -0.0757    0.07550 
 240  H13  H20  4.6799     0.3355    0.0083   -0.0428    0.05861 
 241  H13  H21  4.3222     0.3373    0.0078   -0.0415    0.06004 
 242  H13  B22  2.8916     0.1889    0.0047   -0.0083    0.01593 
 243  H13  C23  4.2128     0.2364    0.0064   -0.0403    0.04707 
 244  H13  C24  3.1757     0.2962    0.0064    0.0159    0.00529 
 245  H13  C25  3.6195     0.3352    0.0083    0.0186    0.00410 
 246  H14  H15  1.7815     0.1232    0.0060   -0.0066    0.00913 
 247  H14  C16  2.6998     0.1581   -0.0021    0.0069    0.00450 
 248  H14  C17  2.1547     0.1068    0.0037   -0.0061    0.00767 
 249  H14  C19  3.3309     0.3353    0.0037   -0.0009    0.03094 
 250  H14  H20  3.8526     0.1850    0.0089   -0.0308    0.03075 
 251  H14  H21  2.6203     0.2539    0.0056    0.0407   -0.02169 
 252  H14  B22  2.2476     0.1118    0.0041   -0.0067    0.00819 
 253  H14  C23  2.8345     0.1666    0.0048    0.0035    0.00152 
 254  H14  C24  3.6789     0.1104    0.0073   -0.0214    0.01738 
 255  H14  C25  4.7221     0.1336    0.0094   -0.0288    0.02323 
 256  H15  C16  3.3261     0.1320    0.0032   -0.0271    0.02914 
 257  H15  C17  2.1458     0.1075    0.0044   -0.0061    0.00712 
 258  H15  C19  3.9706     0.2790    0.0062   -0.0186    0.03201 
 259  H15  H20  4.4390     0.1535    0.0099   -0.0467    0.04208 
 260  H15  H21  3.8429     0.1945    0.0098   -0.0253    0.02531 
 261  H15  B22  2.2403     0.1173    0.0047   -0.0074    0.00884 
 262  H15  C23  3.5728     0.1368    0.0067   -0.0235    0.02206 
 263  H15  C24  2.9496     0.1686    0.0079   -0.0006    0.00226 
 264  H15  C25  4.2248     0.1956    0.0103   -0.0224    0.02115 
 265  C16  C18  2.5339     0.0652   -0.0010   -0.0052    0.00787 
 266  C16  C19  5.2203     0.3955   -0.0011   -0.0823    0.11337 
 267  C16  H20  4.5443     0.5315    0.0031   -0.0432    0.10229 
 268  C16  H21  3.5687     0.5459   -0.0024    0.0263    0.05960 
 269  C16  B22  3.3571     0.2535   -0.0014   -0.0264    0.04692 
 270  C16  C23  4.0051     0.4248   -0.0009   -0.0285    0.07452 
 271  C16  C24  4.3623     0.2948    0.0025   -0.0484    0.06583 
 272  C16  C25  4.6753     0.3383    0.0062   -0.0353    0.05364 
 273  C17  C19  4.6323     0.2064    0.0038   -0.0587    0.06401 
 274  C17  H20  4.1659     0.2878    0.0063   -0.0313    0.04486 
 275  C17  H21  3.4642     0.3291    0.0043    0.0013    0.02570 
 276  C17  B22  2.4481     0.1259    0.0011   -0.0084    0.01381 
 277  C17  C23  3.5491     0.2121    0.0032   -0.0211    0.03061 
 278  C17  C24  3.2798     0.1839    0.0038   -0.0110    0.01743 
 279  C17  C25  3.8627     0.1670    0.0068   -0.0044    0.00491 
 280  C18  C19  3.4422     0.1955    0.0033   -0.0149    0.02275 
 281  C18  H20  3.6198     0.1236    0.0067   -0.0256    0.02311 
 282  C18  H21  2.8569     0.1688    0.0057    0.0098   -0.00553 
 283  C18  C23  2.7458     0.0781    0.0032   -0.0046    0.00363 
 284  C18  C24  2.7635     0.0781    0.0042   -0.0045    0.00257 
 285  C18  C25  3.8294     0.1067    0.0067   -0.0130    0.00927 
 286  C19  H20  2.1471     0.1069    0.0036   -0.0060    0.00764 
 287  C19  H21  2.1472     0.1071    0.0038   -0.0060    0.00753 
 288  C19  B22  2.4710     0.1113    0.0030   -0.0070    0.00901 
 289  C19  C24  3.4233     0.2281    0.0022   -0.0176    0.03062 
 290  C19  C25  4.2619     0.2295    0.0032   -0.0309    0.04013 
 291  H20  H21  1.7821     0.1230    0.0059   -0.0064    0.00897 
 292  H20  B22  2.2419     0.1133    0.0047   -0.0066    0.00769 
 293  H20  C24  2.8886     0.1715   -0.0014    0.0047    0.00683 
 294  H20  C25  2.9302     0.2201   -0.0019    0.0209   -0.00246 
 295  H21  B22  2.2378     0.1140    0.0047   -0.0067    0.00780 
 296  H21  C24  3.6399     0.1256    0.0034   -0.0269    0.02792 
 297  H21  C25  4.0838     0.2176    0.0037   -0.0283    0.03624 
 298  B22  C25  2.5944     0.0846    0.0043   -0.0057    0.00421 
 299  C23  C24  2.7594     0.0774   -0.0006   -0.0045    0.00731 
 300  C23  C25  3.2952     0.1319    0.0009   -0.0065    0.01088 
</ambor1>
                                                                      


<ambor2>
   1  H1   C2   1.0991     0.0772    0.0039    0.0000    0.00154  
   2  C2   C7   1.5122     0.0510    0.0008    0.0000    0.00088  
   3  C2   B8   1.5895     0.0542    0.0011    0.0000    0.00076  
   4  C2   H25  1.0966     0.0769    0.0040    0.0000    0.00139  
   5  H3   C6   1.0884     0.0755    0.0032    0.0000    0.00205  
   6  H4   C6   1.0867     0.0753    0.0033    0.0000    0.00194  
   7  H5   C7   1.0908     0.0759    0.0037    0.0000    0.00159  
   8  C6   C7   1.3362     0.0411    0.0009    0.0000    0.00038  
   9  B8   C16  1.5912     0.0542    0.0015    0.0000    0.00032  
  10  B8   C24  1.5892     0.0543    0.0013    0.0000    0.00059  
  11  H9   C11  1.0867     0.0753    0.0031    0.0000    0.00216  
  12  H10  C11  1.0885     0.0756    0.0034    0.0000    0.00185  
  13  C11  C13  1.3353     0.0410    0.0006    0.0000    0.00062  
  14  H12  C13  1.0909     0.0760    0.0038    0.0000    0.00153  
  15  C13  C16  1.5097     0.0506    0.0011    0.0000    0.00060  
  16  H14  C16  1.1031     0.0780    0.0040    0.0000    0.00155  
  17  H15  C16  1.0972     0.0770    0.0041    0.0000    0.00133  
  18  H17  C22  1.0867     0.0753    0.0031    0.0000    0.00209  
  19  H18  C22  1.0884     0.0755    0.0034    0.0000    0.00188  
  20  H19  C23  1.0901     0.0758    0.0036    0.0000    0.00172  
  21  H20  C24  1.0970     0.0770    0.0040    0.0000    0.00144  
  22  H21  C24  1.0993     0.0772    0.0039    0.0000    0.00152  
  23  C22  C23  1.3361     0.0410    0.0009    0.0000    0.00040  
  24  C23  C24  1.5133     0.0511    0.0015    0.0000    0.00025  
  25  H1   H3   3.6877     0.2008    0.0133   -0.0375    0.03516  
  26  H1   H4   4.2062     0.1556    0.0031   -0.0344    0.03707  
  27  H1   H5   2.4804     0.1824    0.0076    0.0010    0.00478  
  28  H1   C6   3.3139     0.1299    0.0058   -0.0239    0.02320  
  29  H1   C7   2.1467     0.1074    0.0035   -0.0060    0.00787  
  30  H1   B8   2.2314     0.1171    0.0044   -0.0070    0.00876  
  31  H1   H9   5.5744     0.4237    0.0114   -0.0193    0.04020  
  32  H1   H10  5.6089     0.4163    0.0064   -0.0725    0.09693  
  33  H1   C11  5.0188     0.3582    0.0085   -0.0286    0.04563  
  34  H1   H12  3.6805     0.3567    0.0045    0.0579   -0.02786  
  35  H1   C13  3.9498     0.2545    0.0086    0.0048    0.00300  
  36  H1   H14  3.9246     0.2092    0.0124   -0.0288    0.02755  
  37  H1   H15  4.4394     0.1643    0.0090   -0.0532    0.05028  
  38  H1   C16  3.5820     0.1354    0.0074   -0.0239    0.02166  
  39  H1   H17  4.3374     0.5536    0.0059    0.0093    0.05554  
  40  H1   H18  3.2462     0.6115   -0.0024    0.0566    0.06107  
  41  H1   H19  4.1316     0.3752    0.0108   -0.0383    0.06161  
  42  H1   H20  2.7604     0.2720    0.0067    0.0262   -0.00606  
  43  H1   H21  3.9179     0.1906    0.0096   -0.0336    0.03327  
  44  H1   C22  3.5052     0.4993    0.0049    0.0278    0.03846  
  45  H1   C23  3.3670     0.3322    0.0082    0.0007    0.02384  
  46  H1   C24  2.8992     0.1757    0.0065    0.0018    0.00238  
  47  H1   H25  1.7780     0.1234    0.0059   -0.0064    0.00908  
  48  C2   H3   2.8056     0.1463    0.0120   -0.0094    0.00507  
  49  C2   H4   3.5217     0.0973    0.0037   -0.0181    0.01713  
  50  C2   H5   2.2171     0.1035    0.0054   -0.0066    0.00601  
  51  C2   C6   2.5338     0.0650    0.0045   -0.0052    0.00242  
  52  C2   H9   5.2027     0.3024    0.0081   -0.0335    0.04297  
  53  C2   H10  5.1199     0.2746    0.0034   -0.0709    0.08222  
  54  C2   C11  4.5383     0.2393    0.0053   -0.0336    0.04098  
  55  C2   H12  3.1111     0.2796   -0.0013    0.0580   -0.03154  
  56  C2   C13  3.3263     0.1766    0.0045    0.0066   -0.00171  
  57  C2   H14  2.9067     0.2029    0.0085    0.0138   -0.00811  
  58  C2   H15  3.6757     0.1163    0.0071   -0.0337    0.03029  
  59  C2   C16  2.7518     0.0790    0.0043   -0.0048    0.00276  
  60  C2   H17  4.9013     0.4065    0.0060   -0.0387    0.06643  
  61  C2   H18  3.9717     0.4878   -0.0037   -0.0151    0.07871  
  62  C2   H19  4.1185     0.2565    0.0067   -0.0403    0.04963  
  63  C2   H20  2.8511     0.1697    0.0070    0.0084   -0.00526  
  64  C2   H21  3.5901     0.1380    0.0060   -0.0265    0.02578  
  65  C2   C22  4.0320     0.3677    0.0033   -0.0210    0.05126  
  66  C2   C23  3.5192     0.2073    0.0049   -0.0197    0.02693  
  67  C2   C24  2.7460     0.0780    0.0038   -0.0047    0.00311  
  68  H3   H4   1.8501     0.1187    0.0074   -0.0088    0.00901  
  69  H3   H5   3.0752     0.1180    0.0055   -0.0208    0.01981  
  70  H3   C7   2.1220     0.0971    0.0059   -0.0083    0.00681  
  71  H3   B8   3.6803     0.3099    0.0139   -0.0347    0.04693  
  72  H3   H9   6.6354     0.6584    0.0170   -0.1328    0.18114  
  73  H3   H10  6.5955     0.5475    0.0159   -0.1629    0.19244  
  74  H3   C11  5.9820     0.5631    0.0161   -0.1170    0.15388  
  75  H3   H12  4.2843     0.7237    0.0051    0.0065    0.11059  
  76  H3   C13  4.6564     0.5513    0.0153   -0.0446    0.09464  
  77  H3   H14  3.1990     0.6581    0.0187    0.1024    0.01424  
  78  H3   H15  4.8034     0.6321    0.0228   -0.0724    0.13273  
  79  H3   C16  3.9419     0.5139    0.0184   -0.0207    0.06935  
  80  H3   H17  7.6762     0.4042    0.0183   -0.1728    0.17583  
  81  H3   H18  6.7029     0.4908    0.0064   -0.1444    0.17402  
  82  H3   H19  6.5164     0.3759    0.0168   -0.1232    0.12800  
  83  H3   H20  5.0562     0.3315    0.0172   -0.0654    0.06992  
  84  H3   H21  5.4030     0.4712    0.0133   -0.0838    0.11150  
  85  H3   C22  6.7855     0.3575    0.0147   -0.1422    0.14636  
  86  H3   C23  6.0808     0.2787    0.0157   -0.1131    0.11012  
  87  H3   C24  4.9760     0.3150    0.0140   -0.0720    0.07795  
  88  H3   H25  2.5201     0.2339    0.0127    0.0237   -0.01461  
  89  H4   H5   2.4281     0.1637   -0.0095   -0.0079    0.02839  
  90  H4   C7   2.1190     0.0971   -0.0008   -0.0081    0.01336  
  91  H4   B8   4.2877     0.2247    0.0041   -0.0332    0.04089  
  92  H4   H9   8.0490     0.4762    0.0149   -0.1962    0.20948  
  93  H4   H10  7.7109     0.4366    0.0105   -0.1991    0.21326  
  94  H4   C11  7.2662     0.4068    0.0126   -0.1660    0.17617  
  95  H4   H12  5.7886     0.5894    0.0030   -0.0670    0.12401  
  96  H4   C13  5.9639     0.4188    0.0108   -0.0954    0.11408  
  97  H4   H14  4.2789     0.5366    0.0130    0.0604   -0.00613  
  98  H4   H15  5.5645     0.5617    0.0145   -0.0747    0.11688  
  99  H4   C16  4.9134     0.4061    0.0112   -0.0400    0.06231  
 100  H4   H17  8.1190     0.3807    0.0052   -0.1762    0.18880  
 101  H4   H18  6.8297     0.5317   -0.0091   -0.1259    0.17637  
 102  H4   H19  7.0688     0.2953    0.0066   -0.1309    0.13664  
 103  H4   H20  4.8745     0.4091    0.0024   -0.0286    0.06046  
 104  H4   H21  5.4059     0.4834    0.0001   -0.0553    0.09842  
 105  H4   C22  7.1064     0.3694    0.0016   -0.1366    0.15425  
 106  H4   C23  6.4530     0.2624    0.0037   -0.1090    0.11595  
 107  H4   C24  5.1143     0.3132    0.0012   -0.0520    0.06993  
 108  H4   H25  3.7612     0.1659    0.0092   -0.0148    0.01291  
 109  H5   C6   2.0902     0.0970   -0.0006   -0.0065    0.01153  
 110  H5   B8   2.8824     0.1847    0.0041   -0.0075    0.01522  
 111  H5   H9   7.2232     0.2599    0.0133   -0.1387    0.13470  
 112  H5   H10  6.7730     0.3143    0.0070   -0.1370    0.14454  
 113  H5   C11  6.4145     0.2278    0.0100   -0.1168    0.11489  
 114  H5   H12  5.2068     0.3139    0.0018   -0.0560    0.07313  
 115  H5   C13  5.2290     0.2101    0.0074   -0.0738    0.07480  
 116  H5   H14  4.1055     0.3620    0.0061   -0.0139    0.03966  
 117  H5   H15  4.7732     0.3342    0.0072   -0.0517    0.06793  
 118  H5   C16  4.1709     0.2443    0.0056   -0.0383    0.04699  
 119  H5   H17  5.9467     0.4691    0.0106   -0.0656    0.09201  
 120  H5   H18  4.4931     0.5799   -0.0018   -0.0021    0.07869  
 121  H5   H19  5.2718     0.2904    0.0114   -0.0648    0.06939  
 122  H5   H20  2.6480     0.3855    0.0083    0.0762   -0.02840  
 123  H5   H21  3.7243     0.3943    0.0046    0.0042    0.03300  
 124  H5   C22  4.8980     0.4517    0.0081   -0.0314    0.06505  
 125  H5   C23  4.4439     0.3158    0.0093   -0.0290    0.04213  
 126  H5   C24  3.1868     0.2902    0.0056    0.0171    0.00372  
 127  H5   H25  3.0880     0.1276    0.0085   -0.0274    0.02418  
 128  C6   B8   3.4096     0.2113    0.0058   -0.0226    0.02991  
 129  C6   H9   7.0282     0.4642    0.0116   -0.1475    0.16658  
 130  C6   H10  6.8007     0.3850    0.0088   -0.1622    0.17517  
 131  C6   C11  6.2864     0.3843    0.0099   -0.1263    0.13986  
 132  C6   H12  4.7348     0.5672   -0.0006   -0.0250    0.09358  
 133  C6   C13  4.9678     0.3978    0.0083   -0.0616    0.08523  
 134  C6   H14  3.4557     0.4989    0.0112    0.0757   -0.01489  
 135  C6   H15  4.8059     0.4968    0.0144   -0.0616    0.09852  
 136  C6   C16  4.0326     0.3749    0.0102   -0.0231    0.04773  
 137  C6   H17  7.2975     0.3574    0.0098   -0.1468    0.15454  
 138  C6   H18  6.1330     0.4861   -0.0025   -0.1076    0.14860  
 139  C6   H19  6.2456     0.2670    0.0096   -0.1079    0.10971  
 140  C6   H20  4.3338     0.3338    0.0095   -0.0275    0.04366  
 141  C6   H21  4.8616     0.4110    0.0059   -0.0531    0.08196  
 142  C6   C22  6.3299     0.3318    0.0065   -0.1139    0.12479  
 143  C6   C23  5.6731     0.2137    0.0079   -0.0902    0.09034  
 144  C6   C24  4.4424     0.2584    0.0063   -0.0447    0.05346  
 145  C6   H25  2.6829     0.1544    0.0067    0.0048   -0.00259  
 146  C7   B8   2.4684     0.1117    0.0017   -0.0074    0.01077  
 147  C7   H9   6.5064     0.2864    0.0081   -0.1107    0.11526  
 148  C7   H10  6.2229     0.2408    0.0040   -0.1247    0.13005  
 149  C7   C11  5.7470     0.2151    0.0057   -0.0951    0.09746  
 150  C7   H12  4.3363     0.3702   -0.0037   -0.0130    0.04829  
 151  C7   C13  4.4821     0.2249    0.0037   -0.0460    0.05350  
 152  C7   H14  3.3380     0.3176    0.0060    0.0324   -0.00821  
 153  C7   H15  4.3150     0.2831    0.0078   -0.0452    0.05594  
 154  C7   C16  3.5420     0.2008    0.0043   -0.0193    0.02630  
 155  C7   H17  6.0348     0.3775    0.0074   -0.0878    0.10400  
 156  C7   H18  4.8032     0.4918   -0.0038   -0.0452    0.09943  
 157  C7   H19  5.1780     0.2057    0.0076   -0.0723    0.07283  
 158  C7   H20  3.1046     0.2795    0.0084    0.0172   -0.00045  
 159  C7   H21  3.9082     0.2872    0.0049   -0.0230    0.03920  
 160  C7   C22  5.0482     0.3527    0.0047   -0.0592    0.07912  
 161  C7   C23  4.4898     0.1985    0.0061   -0.0486    0.05127  
 162  C7   C24  3.3143     0.1784    0.0043   -0.0105    0.01577  
 163  C7   H25  2.1471     0.1065    0.0033   -0.0060    0.00796  
 164  B8   H9   4.4718     0.2035    0.0101   -0.0331    0.03232  
 165  B8   H10  3.9066     0.2613    0.0033   -0.0350    0.04920  
 166  B8   C11  3.5957     0.1781    0.0067   -0.0230    0.02518  
 167  B8   H12  2.8937     0.1919    0.0002   -0.0036    0.01608  
 168  B8   C13  2.5552     0.1121    0.0037   -0.0074    0.00859  
 169  B8   H14  2.1890     0.1278    0.0044   -0.0063    0.00932  
 170  B8   H15  2.2542     0.1113    0.0040   -0.0060    0.00748  
 171  B8   H17  4.2998     0.2268    0.0042   -0.0335    0.04128  
 172  B8   H18  3.7140     0.2945   -0.0079   -0.0339    0.06515  
 173  B8   H19  2.8544     0.1877    0.0032   -0.0071    0.01621  
 174  B8   H20  2.2540     0.1123    0.0055   -0.0067    0.00683  
 175  B8   H21  2.2397     0.1153    0.0045   -0.0070    0.00844  
 176  B8   C22  3.4274     0.2068   -0.0008   -0.0226    0.03587  
 177  B8   C23  2.4654     0.1180    0.0007   -0.0076    0.01263  
 178  B8   H25  2.2569     0.1116    0.0044   -0.0065    0.00762  
 179  H9   H10  1.8502     0.1187    0.0076   -0.0099    0.00994  
 180  H9   H12  2.4275     0.1634    0.0096   -0.0073    0.00868  
 181  H9   C13  2.1181     0.0970    0.0054   -0.0076    0.00666  
 182  H9   H14  4.1578     0.1584    0.0082   -0.0311    0.02900  
 183  H9   H15  3.7437     0.1618    0.0102   -0.0163    0.01311  
 184  H9   C16  3.5182     0.0970    0.0073   -0.0172    0.01254  
 185  H9   H17  5.4455     0.8058    0.0136    0.0933    0.01235  
 186  H9   H18  6.3215     0.6569    0.0104   -0.0201    0.07801  
 187  H9   H19  4.0626     0.8444    0.0073    0.0737    0.09451  
 188  H9   H20  6.2759     0.4294    0.0153   -0.0905    0.10458  
 189  H9   H21  5.6370     0.6259    0.0159   -0.1141    0.16763  
 190  H9   C22  5.4596     0.6802    0.0097    0.0374    0.03766  
 191  H9   C23  4.7717     0.6420    0.0093    0.0223    0.05477  
 192  H9   C24  5.3052     0.4745    0.0125   -0.0618    0.09178  
 193  H9   H25  4.8336     0.4777    0.0049   -0.0018    0.04413  
 194  H10  H12  3.0747     0.1187    0.0053   -0.0200    0.01934  
 195  H10  C13  2.1212     0.0977   -0.0009   -0.0078    0.01320  
 196  H10  H14  3.5983     0.2071    0.0007   -0.0308    0.04208  
 197  H10  H15  2.4827     0.2220   -0.0003    0.0232   -0.00300  
 198  H10  C16  2.8014     0.1461   -0.0006   -0.0087    0.01688  
 199  H10  H17  5.1295     0.7410    0.0032    0.0670    0.03693  
 200  H10  H18  5.9428     0.6079   -0.0021   -0.0532    0.11741  
 201  H10  H19  3.1119     0.6542   -0.0065    0.2160   -0.07197  
 202  H10  H20  5.4814     0.4602    0.0064   -0.0701    0.10237  
 203  H10  H21  4.4065     0.6581    0.0058   -0.0287    0.12124  
 204  H10  C22  4.9997     0.6231   -0.0020    0.0256    0.05414  
 205  H10  C23  3.9997     0.5470   -0.0029    0.0708    0.00686  
 206  H10  C24  4.4016     0.4736    0.0028   -0.0199    0.06804  
 207  H10  H25  5.0782     0.3593    0.0033   -0.0663    0.08837  
 208  C11  H12  2.0896     0.0973    0.0050   -0.0060    0.00558  
 209  C11  H14  3.2554     0.1350    0.0047   -0.0201    0.02092  
 210  C11  H15  2.6612     0.1483    0.0070    0.0030   -0.00171  
 211  C11  C16  2.5300     0.0644    0.0037   -0.0046    0.00251  
 212  C11  H17  5.0919     0.6196    0.0083    0.0731   -0.00594  
 213  C11  H18  5.7887     0.5287    0.0035   -0.0295    0.07430  
 214  C11  H19  3.3446     0.6536    0.0012    0.1167    0.00982  
 215  C11  H20  5.4218     0.3662    0.0113   -0.0696    0.08300  
 216  C11  H21  4.6420     0.5611    0.0114   -0.0736    0.13001  
 217  C11  C22  4.9330     0.5281    0.0038    0.0314    0.02134  
 218  C11  C23  4.0473     0.4957    0.0036    0.0410    0.01609  
 219  C11  C24  4.4051     0.4047    0.0080   -0.0377    0.06691  
 220  C11  H25  4.3162     0.3827    0.0033   -0.0129    0.04350  
 221  H12  H14  2.5227     0.1833    0.0008   -0.0042    0.01680  
 222  H12  H15  3.0972     0.1252    0.0058   -0.0291    0.02841  
 223  H12  C16  2.2159     0.1034    0.0003   -0.0079    0.01241  
 224  H12  H17  5.4155     0.7793    0.0122   -0.0299    0.12985  
 225  H12  H18  5.5546     0.6733    0.0038   -0.0396    0.11741  
 226  H12  H19  4.0996     0.7122    0.0052   -0.0647    0.18320  
 227  H12  H20  5.0261     0.3104    0.0071   -0.0615    0.07353  
 228  H12  H21  4.8034     0.3443    0.0056   -0.1182    0.13725  
 229  H12  C22  5.0199     0.6692    0.0067   -0.0332    0.11571  
 230  H12  C23  4.2940     0.5686    0.0051   -0.0501    0.12032  
 231  H12  C24  4.2535     0.3347    0.0037   -0.0639    0.08656  
 232  H12  H25  2.5132     0.4230   -0.0042    0.1451   -0.06962  
 233  C13  H14  2.1378     0.1091    0.0034   -0.0061    0.00823  
 234  C13  H15  2.1452     0.1060    0.0045   -0.0080    0.00878  
 235  C13  H17  5.0777     0.5068    0.0072    0.0092    0.03421  
 236  C13  H18  5.3406     0.4571    0.0004   -0.0378    0.07650  
 237  C13  H19  3.3671     0.5159   -0.0008    0.0274    0.05247  
 238  C13  H20  4.6464     0.2322    0.0084   -0.0525    0.05569  
 239  C13  H21  4.0847     0.3549    0.0057   -0.0724    0.09759  
 240  C13  C22  4.6709     0.4313    0.0023   -0.0046    0.04214  
 241  C13  C23  3.7400     0.3769    0.0011    0.0006    0.03624  
 242  C13  C24  3.7200     0.2657    0.0039   -0.0373    0.05238  
 243  C13  H25  3.0517     0.3098    0.0042    0.0421   -0.01485  
 244  H14  H15  1.7713     0.1243    0.0055   -0.0063    0.00954  
 245  H14  H17  6.1799     0.3256    0.0071   -0.1311    0.14117  
 246  H14  H18  5.8714     0.3325   -0.0033   -0.1175    0.13959  
 247  H14  H19  4.2731     0.3476   -0.0017   -0.0787    0.10874  
 248  H14  H20  4.2609     0.2253    0.0076   -0.0412    0.04554  
 249  H14  H21  3.6057     0.3524   -0.0016   -0.0430    0.07906  
 250  H14  C22  5.4480     0.2755    0.0016   -0.1086    0.12088  
 251  H14  C23  4.3319     0.2419   -0.0002   -0.0807    0.09438  
 252  H14  C24  3.5107     0.2181    0.0010   -0.0423    0.05488  
 253  H14  H25  2.8296     0.3500    0.0117    0.0299    0.00169  
 254  H15  H17  5.2939     0.5582   -0.0020   -0.0694    0.13029  
 255  H15  H18  5.3223     0.3851   -0.0112   -0.0929    0.13202  
 256  H15  H19  3.0186     0.5833   -0.0120    0.0410    0.08375  
 257  H15  H20  3.8724     0.1887    0.0028   -0.0205    0.02689  
 258  H15  H21  2.6345     0.2629   -0.0048    0.0772   -0.04615  
 259  H15  C22  4.6677     0.4484   -0.0078   -0.0582    0.10905  
 260  H15  C23  3.3820     0.4178   -0.0094   -0.0028    0.06387  
 261  H15  C24  2.8606     0.1802   -0.0036    0.0208   -0.00585  
 262  H15  H25  3.9266     0.1843    0.0108   -0.0401    0.03793  
 263  C16  H17  5.1580     0.3421    0.0018   -0.0537    0.07460  
 264  C16  H18  5.0286     0.3125   -0.0077   -0.0707    0.09781  
 265  C16  H19  3.1904     0.3154   -0.0057    0.0138    0.02307  
 266  C16  H20  3.6735     0.1133    0.0048   -0.0246    0.02334  
 267  C16  H21  2.9313     0.1718   -0.0005    0.0020    0.00857  
 268  C16  C22  4.4869     0.2771   -0.0036   -0.0454    0.06611  
 269  C16  C23  3.3399     0.2074   -0.0047   -0.0126    0.03010  
 270  C16  C24  2.7640     0.0789   -0.0013   -0.0047    0.00831  
 271  C16  H25  2.8601     0.1698    0.0070    0.0035   -0.00035  
 272  H17  H18  1.8503     0.1187    0.0074   -0.0088    0.00893  
 273  H17  H19  2.4289     0.1637    0.0101   -0.0079    0.00879  
 274  H17  H20  3.7493     0.1639    0.0018   -0.0155    0.02079  
 275  H17  H21  4.1944     0.1554    0.0095   -0.0335    0.02981  
 276  H17  C23  2.1182     0.0975    0.0059   -0.0081    0.00667  
 277  H17  C24  3.5207     0.0975    0.0048   -0.0181    0.01602  
 278  H17  H25  5.4894     0.5129    0.0080   -0.0529    0.09291  
 279  H18  H19  3.0757     0.1179    0.0050   -0.0208    0.02032  
 280  H18  H20  2.4978     0.2266   -0.0143    0.0221    0.01280  
 281  H18  H21  3.6608     0.1996   -0.0050   -0.0350    0.05080  
 282  H18  C23  2.1222     0.0968   -0.0009   -0.0083    0.01358  
 283  H18  C24  2.8028     0.1453   -0.0090   -0.0093    0.02583  
 284  H18  H25  4.7878     0.5650    0.0008   -0.0415    0.10735  
 285  H19  H20  3.0916     0.1266    0.0083   -0.0266    0.02352  
 286  H19  H21  2.4977     0.1811    0.0077   -0.0008    0.00630  
 287  H19  C22  2.0909     0.0967    0.0049   -0.0065    0.00605  
 288  H19  C24  2.2182     0.1034    0.0056   -0.0066    0.00587  
 289  H19  H25  4.6748     0.3373    0.0075   -0.0461    0.06294  
 290  H20  H21  1.7799     0.1234    0.0060   -0.0065    0.00903  
 291  H20  C22  2.6690     0.1517   -0.0019    0.0037    0.00679  
 292  H20  C23  2.1453     0.1070    0.0037   -0.0061    0.00772  
 293  H20  H25  3.9114     0.1815    0.0108   -0.0203    0.01790  
 294  H21  C22  3.2979     0.1299    0.0033   -0.0225    0.02430  
 295  H21  C23  2.1461     0.1076    0.0046   -0.0060    0.00688  
 296  H21  H25  4.4573     0.1557    0.0092   -0.0467    0.04293  
 297  C22  C24  2.5324     0.0647   -0.0006   -0.0052    0.00753  
 298  C22  H25  4.7539     0.4456    0.0059   -0.0387    0.07455  
 299  C23  H25  4.2531     0.2640    0.0070   -0.0323    0.04170  
 300  C24  H25  3.6628     0.1135    0.0071   -0.0233    0.01973  
</ambor2>

<ambor3>
   1  H1   C3   1.0867     0.0753    0.0031    0.0000    0.00215  
   2  H2   C3   1.0887     0.0756    0.0034    0.0000    0.00184  
   3  C3   C25  1.3344     0.0409    0.0006    0.0000    0.00063  
   4  H4   C25  1.0915     0.0761    0.0037    0.0000    0.00156  
   5  H5   C24  1.1081     0.0785    0.0039    0.0000    0.00165  
   6  H6   C24  1.0997     0.0774    0.0040    0.0000    0.00142  
   7  H7   C9   1.0867     0.0753    0.0031    0.0000    0.00215  
   8  H8   C9   1.0882     0.0755    0.0034    0.0000    0.00184  
   9  C9   C19  1.3362     0.0411    0.0006    0.0000    0.00064  
  10  H10  C19  1.0913     0.0760    0.0038    0.0000    0.00150  
  11  H11  C16  1.0867     0.0753    0.0031    0.0000    0.00209  
  12  H12  C16  1.0882     0.0755    0.0033    0.0000    0.00188  
  13  H13  C17  1.0911     0.0760    0.0036    0.0000    0.00173  
  14  H14  C18  1.0967     0.0769    0.0039    0.0000    0.00150  
  15  H15  C18  1.0992     0.0773    0.0039    0.0000    0.00149  
  16  C16  C17  1.3362     0.0411    0.0008    0.0000    0.00042  
  17  C17  C18  1.5122     0.0509    0.0015    0.0000    0.00022  
  18  C18  B22  1.5905     0.0543    0.0009    0.0000    0.00095  
  19  C19  C23  1.5125     0.0510    0.0012    0.0000    0.00052  
  20  H20  C23  1.0983     0.0771    0.0039    0.0000    0.00156  
  21  H21  C23  1.0963     0.0768    0.0041    0.0000    0.00130  
  22  B22  C23  1.5882     0.0542    0.0016    0.0000    0.00027  
  23  B22  C24  1.5892     0.0543    0.0015    0.0000    0.00040  
  24  C24  C25  1.5028     0.0498    0.0012    0.0000    0.00050  
  25  H1   H2   1.8496     0.1187    0.0076   -0.0087    0.00871  
  26  H1   H4   2.4266     0.1632    0.0096   -0.0072    0.00860  
  27  H1   H5   4.1605     0.1594    0.0083   -0.0322    0.03007  
  28  H1   H6   3.7511     0.1625    0.0102   -0.0154    0.01219  
  29  H1   H7   7.4164     0.5473    0.0100   -0.1316    0.16204  
  30  H1   H8   7.5081     0.3862    0.0049   -0.1382    0.15325  
  31  H1   C9   6.8344     0.4401    0.0068   -0.1081    0.12962  
  32  H1   H10  5.0092     0.5777   -0.0005   -0.0169    0.08412  
  33  H1   H11  7.1637     0.8412    0.0117   -0.0819    0.16899  
  34  H1   H12  7.4535     0.6895    0.0043   -0.1275    0.18696  
  35  H1   H13  5.6692     0.6497    0.0072   -0.0116    0.07884  
  36  H1   H14  6.8071     0.2119    0.0130   -0.0994    0.09303  
  37  H1   H15  6.2626     0.2531    0.0140   -0.0849    0.08110  
  38  H1   C16  6.8534     0.6693    0.0072   -0.0848    0.14298  
  39  H1   C17  6.0463     0.4911    0.0077   -0.0500    0.08225  
  40  H1   C18  5.9514     0.2122    0.0100   -0.0656    0.06323  
  41  H1   C19  5.5032     0.4311    0.0060   -0.0498    0.07757  
  42  H1   H20  4.1598     0.4255    0.0000    0.0516   -0.00815  
  43  H1   H21  5.7660     0.3527    0.0068   -0.0296    0.04442  
  44  H1   B22  4.5964     0.1630    0.0089   -0.0324    0.02923  
  45  H1   C23  4.8751     0.3119    0.0045   -0.0110    0.02642  
  46  H1   C24  3.5126     0.0969    0.0073   -0.0181    0.01347  
  47  H1   C25  2.1192     0.0966    0.0053   -0.0081    0.00714  
  48  H2   H4   3.0725     0.1185    0.0053   -0.0210    0.02035  
  49  H2   H5   3.5883     0.2159    0.0014   -0.0320    0.04361  
  50  H2   H6   2.4901     0.2254   -0.0002    0.0242   -0.00363  
  51  H2   H7   7.6323     0.3905    0.0069   -0.1899    0.20293  
  52  H2   H8   7.4451     0.3698    0.0026   -0.1814    0.19716  
  53  H2   C9   6.9313     0.3431    0.0042   -0.1606    0.17336  
  54  H2   H10  5.4069     0.4400   -0.0049   -0.0884    0.12911  
  55  H2   H11  6.0047     0.8348    0.0109    0.0012    0.10397  
  56  H2   H12  6.5596     0.6931    0.0022   -0.0904    0.16141  
  57  H2   H13  4.2328     0.6649    0.0003    0.1061   -0.00189  
  58  H2   H14  5.9798     0.3049    0.0063   -0.0802    0.08938  
  59  H2   H15  5.1309     0.3813    0.0047   -0.0380    0.06171  
  60  H2   C16  5.7744     0.6904    0.0041   -0.0242    0.10262  
  61  H2   C17  4.8483     0.5378    0.0017    0.0198    0.03819  
  62  H2   C18  4.9734     0.3108    0.0025   -0.0318    0.04872  
  63  H2   C19  5.6650     0.3514    0.0022   -0.1078    0.12735  
  64  H2   H20  4.3686     0.5430    0.0008   -0.0287    0.09542  
  65  H2   H21  5.5800     0.4570    0.0053   -0.0710    0.10314  
  66  H2   B22  3.9809     0.2397    0.0021   -0.0324    0.04474  
  67  H2   C23  4.7916     0.3880    0.0018   -0.0587    0.08832  
  68  H2   C24  2.7952     0.1471   -0.0007   -0.0087    0.01717  
  69  H2   C25  2.1194     0.0979   -0.0009   -0.0083    0.01371  
  70  C3   H4   2.0872     0.0973    0.0050   -0.0066    0.00612  
  71  C3   H5   3.2532     0.1384    0.0051   -0.0209    0.02168  
  72  C3   H6   2.6687     0.1492    0.0070    0.0043   -0.00295  
  73  C3   H7   6.9060     0.4272    0.0076   -0.1283    0.14711  
  74  C3   H8   6.8826     0.3190    0.0030   -0.1321    0.14390  
  75  C3   C9   6.2677     0.3443    0.0046   -0.1061    0.12048  
  76  C3   H10  4.5766     0.4728   -0.0044   -0.0268    0.07999  
  77  C3   H11  6.3438     0.7342    0.0112   -0.0513    0.12501  
  78  C3   H12  6.6261     0.6105    0.0022   -0.1039    0.15793  
  79  C3   H13  4.6736     0.5900    0.0054    0.0266    0.04248  
  80  C3   H14  5.8744     0.1888    0.0102   -0.0761    0.07196  
  81  C3   H15  5.2173     0.2537    0.0107   -0.0533    0.05494  
  82  C3   C16  5.9828     0.5928    0.0057   -0.0579    0.11095  
  83  C3   C17  5.0784     0.4422    0.0055   -0.0205    0.05348  
  84  C3   C18  4.9647     0.1946    0.0070   -0.0410    0.04165  
  85  C3   C19  4.9597     0.3458    0.0029   -0.0547    0.07592  
  86  C3   H20  3.7154     0.4038   -0.0015    0.0284    0.01697  
  87  C3   H21  5.1401     0.3162    0.0051   -0.0330    0.04739  
  88  C3   B22  3.6994     0.1414    0.0055   -0.0209    0.02076  
  89  C3   C23  4.2463     0.2779    0.0019   -0.0166    0.03290  
  90  C3   C24  2.5237     0.0647    0.0037   -0.0052    0.00318  
  91  H4   H5   2.5407     0.1853    0.0001   -0.0031    0.01646  
  92  H4   H6   3.1010     0.1253    0.0057   -0.0279    0.02728  
  93  H4   H7   5.0274     0.5266   -0.0012    0.0383    0.01799  
  94  H4   H8   5.3322     0.3711   -0.0068   -0.0087    0.04132  
  95  H4   C9   4.5379     0.4190   -0.0055    0.0385    0.00568  
  96  H4   H10  2.6193     0.5258   -0.0121    0.1731   -0.05551  
  97  H4   H11  6.7218     0.6170    0.0031   -0.1406    0.19419  
  98  H4   H12  6.4139     0.5656   -0.0094   -0.1272    0.18651  
  99  H4   H13  5.2030     0.4627    0.0030   -0.0856    0.12374  
 100  H4   H14  5.1957     0.2237    0.0032   -0.0573    0.06377  
 101  H4   H15  4.9083     0.2228    0.0060   -0.0679    0.07201  
 102  H4   C16  6.0757     0.5062   -0.0021   -0.1167    0.16094  
 103  H4   C17  5.1956     0.3475    0.0003   -0.0849    0.10785  
 104  H4   C18  4.5589     0.1674    0.0011   -0.0511    0.05619  
 105  H4   C19  3.2435     0.3800   -0.0064    0.0941   -0.04313  
 106  H4   H20  2.6209     0.4246   -0.0116    0.1000   -0.01966  
 107  H4   H21  4.1262     0.3143   -0.0047    0.0243    0.00432  
 108  H4   B22  3.0099     0.1779   -0.0008   -0.0029    0.01416  
 109  H4   C23  3.0628     0.2840   -0.0081    0.0629   -0.02851  
 110  H4   C24  2.2120     0.1032    0.0004   -0.0063    0.01075  
 111  H5   H6   1.7444     0.1265    0.0052   -0.0059    0.00987  
 112  H5   H7   4.7711     0.5547    0.0023   -0.0122    0.07437  
 113  H5   H8   4.9110     0.5074    0.0026   -0.0564    0.10627  
 114  H5   C9   4.2900     0.4879    0.0007   -0.0218    0.07659  
 115  H5   H10  3.1078     0.5197   -0.0106    0.0310    0.06650  
 116  H5   H11  6.0560     0.3117    0.0140   -0.1226    0.12473  
 117  H5   H12  5.6724     0.2832   -0.0020   -0.1153    0.13144  
 118  H5   H13  4.0353     0.3820    0.0109   -0.0440    0.06919  
 119  H5   H14  3.8029     0.2586    0.0105   -0.0165    0.02362  
 120  H5   H15  2.8823     0.3502    0.0102    0.0234    0.00895  
 121  H5   C16  5.2590     0.2550    0.0070   -0.0986    0.10399  
 122  H5   C17  4.0545     0.2581    0.0083   -0.0555    0.06363  
 123  H5   C18  3.0537     0.2205    0.0076   -0.0080    0.01628  
 124  H5   C19  3.3582     0.4113   -0.0025   -0.0020    0.05492  
 125  H5   H20  3.6371     0.2919    0.0001   -0.0404    0.06373  
 126  H5   H21  4.1917     0.2355    0.0052   -0.0490    0.05698  
 127  H5   B22  2.1379     0.1318    0.0037   -0.0067    0.01114  
 128  H5   C23  3.2654     0.2545   -0.0004   -0.0259    0.04611  
 129  H5   C25  2.1449     0.1091    0.0033   -0.0060    0.00820  
 130  H6   H7   6.0939     0.3698    0.0101   -0.1098    0.12217  
 131  H6   H8   5.7884     0.3762    0.0076   -0.1126    0.12948  
 132  H6   C9   5.3899     0.3020    0.0081   -0.0938    0.10262  
 133  H6   H10  4.3476     0.3006   -0.0022   -0.0468    0.06971  
 134  H6   H11  4.9646     0.4696    0.0146   -0.0178    0.04758  
 135  H6   H12  5.0997     0.3654    0.0021   -0.0623    0.08632  
 136  H6   H13  2.7397     0.4341    0.0059    0.1035   -0.04058  
 137  H6   H14  3.8741     0.1843    0.0095   -0.0175    0.01669  
 138  H6   H15  2.7240     0.2956    0.0059    0.0430   -0.01685  
 139  H6   C16  4.3991     0.3812    0.0072   -0.0180    0.04391  
 140  H6   C17  3.1588     0.3170    0.0057    0.0350   -0.00896  
 141  H6   C18  2.8276     0.1714    0.0055    0.0210   -0.01613  
 142  H6   C19  4.3649     0.1917    0.0049   -0.0606    0.06412  
 143  H6   H20  3.8280     0.2568    0.0065   -0.0375    0.04815  
 144  H6   H21  4.3735     0.2041    0.0100   -0.0509    0.05037  
 145  H6   B22  2.2219     0.1177    0.0052   -0.0067    0.00774  
 146  H6   C23  3.6339     0.1462    0.0055   -0.0387    0.03899  
 147  H6   C25  2.1493     0.1056    0.0045   -0.0065    0.00717  
 148  H7   H8   1.8502     0.1187    0.0076   -0.0087    0.00878  
 149  H7   H10  2.4260     0.1635    0.0096   -0.0078    0.00925  
 150  H7   H11  7.6863     0.5018    0.0119   -0.1550    0.17588  
 151  H7   H12  6.2116     0.6583   -0.0013   -0.0770    0.14805  
 152  H7   H13  6.9503     0.3427    0.0161   -0.1389    0.13969  
 153  H7   H14  4.4050     0.5432    0.0131    0.0060    0.04794  
 154  H7   H15  5.2790     0.5462    0.0123   -0.0476    0.09179  
 155  H7   C16  6.6524     0.4933    0.0098   -0.1100    0.13677  
 156  H7   C17  6.1792     0.3673    0.0134   -0.0992    0.10768  
 157  H7   C18  4.8784     0.4047    0.0118   -0.0390    0.06077  
 158  H7   C19  2.1190     0.0969    0.0054   -0.0081    0.00719  
 159  H7   H20  4.2079     0.1543    0.0085   -0.0341    0.03129  
 160  H7   H21  3.7658     0.1661    0.0094   -0.0155    0.01343  
 161  H7   B22  4.2857     0.2242    0.0092   -0.0324    0.03498  
 162  H7   C23  3.5227     0.0973    0.0074   -0.0182    0.01344  
 163  H7   C24  5.1264     0.3274    0.0066   -0.0515    0.06583  
 164  H7   C25  5.6045     0.3923    0.0068   -0.0512    0.07190  
 165  H8   H10  3.0743     0.1182    0.0052   -0.0208    0.02014  
 166  H8   H11  6.1908     0.6481    0.0031   -0.0857    0.15043  
 167  H8   H12  4.5630     0.7490   -0.0085    0.0210    0.11046  
 168  H8   H13  5.9032     0.4605    0.0109   -0.1165    0.14146  
 169  H8   H14  3.1523     0.6008    0.0074    0.0644    0.04271  
 170  H8   H15  4.5203     0.6062    0.0098   -0.0407    0.11217  
 171  H8   C16  5.1704     0.6182    0.0027   -0.0423    0.11351  
 172  H8   C17  4.9695     0.4898    0.0077   -0.0612    0.10176  
 173  H8   C18  3.8780     0.4929    0.0070   -0.0159    0.07157  
 174  H8   C19  2.1216     0.0973   -0.0009   -0.0083    0.01367  
 175  H8   H20  3.6928     0.1990    0.0012   -0.0364    0.04593  
 176  H8   H21  2.5267     0.2341   -0.0013    0.0217    0.00132  
 177  H8   B22  3.6591     0.3007    0.0029   -0.0322    0.05403  
 178  H8   C23  2.8069     0.1464   -0.0006   -0.0093    0.01759  
 179  H8   C24  4.9649     0.3263    0.0028   -0.0688    0.08743  
 180  H8   C25  5.6589     0.2805    0.0013   -0.0714    0.08397  
 181  C9   H10  2.0892     0.0971    0.0050   -0.0065    0.00605  
 182  C9   H11  6.6307     0.4909    0.0090   -0.1110    0.13833  
 183  C9   H12  5.1756     0.6276   -0.0034   -0.0356    0.11511  
 184  C9   H13  6.0063     0.3200    0.0135   -0.1109    0.11445  
 185  C9   H14  3.5179     0.4912    0.0109    0.0277    0.02991  
 186  C9   H15  4.5458     0.4803    0.0107   -0.0357    0.07574  
 187  C9   C16  5.6119     0.4754    0.0073   -0.0716    0.10461  
 188  C9   C17  5.2000     0.3449    0.0109   -0.0706    0.08258  
 189  C9   C18  3.9921     0.3683    0.0094   -0.0215    0.04600  
 190  C9   H20  3.3167     0.1283    0.0051   -0.0234    0.02327  
 191  C9   H21  2.6879     0.1546    0.0061    0.0038   -0.00101  
 192  C9   B22  3.4022     0.2085    0.0060   -0.0215    0.02825  
 193  C9   C23  2.5350     0.0650    0.0038   -0.0053    0.00313  
 194  C9   C24  4.4517     0.2724    0.0036   -0.0436    0.05670  
 195  C9   C25  4.9967     0.3045    0.0030   -0.0403    0.05586  
 196  H10  H11  6.9017     0.3422    0.0048   -0.1261    0.13824  
 197  H10  H12  5.8982     0.4740   -0.0061   -0.1011    0.14534  
 198  H10  H13  5.7897     0.2689    0.0040   -0.0846    0.09302  
 199  H10  H14  4.2573     0.3586    0.0071   -0.0397    0.06278  
 200  H10  H15  4.6411     0.3514    0.0038   -0.0429    0.06569  
 201  H10  C16  5.9894     0.3183    0.0017   -0.0990    0.11424  
 202  H10  C17  5.2967     0.2042    0.0030   -0.0743    0.07915  
 203  H10  C18  4.1805     0.2504    0.0027   -0.0393    0.05158  
 204  H10  H20  2.4781     0.1814    0.0004    0.0006    0.01232  
 205  H10  H21  3.0894     0.1273    0.0055   -0.0266    0.02630  
 206  H10  B22  2.9081     0.1824   -0.0001   -0.0084    0.01994  
 207  H10  C23  2.2185     0.1032    0.0005   -0.0065    0.01087  
 208  H10  C24  3.2588     0.2859   -0.0062    0.0127    0.01855  
 209  H10  C25  3.3161     0.4054   -0.0053    0.0450    0.00988  
 210  H11  H12  1.8501     0.1186    0.0074   -0.0087    0.00890  
 211  H11  H13  2.4268     0.1637    0.0104   -0.0078    0.00850  
 212  H11  H14  3.7642     0.1656    0.0015   -0.0143    0.02008  
 213  H11  H15  4.2028     0.1551    0.0094   -0.0345    0.03080  
 214  H11  C17  2.1187     0.0972    0.0059   -0.0081    0.00668  
 215  H11  C18  3.5228     0.0973    0.0047   -0.0182    0.01613  
 216  H11  C19  6.1245     0.3629    0.0054   -0.0921    0.10815  
 217  H11  H20  5.0870     0.5251    0.0068   -0.0319    0.07926  
 218  H11  H21  4.2708     0.5127    0.0023    0.0145    0.04482  
 219  H11  B22  4.2832     0.2248    0.0049   -0.0329    0.03981  
 220  H11  C23  4.7699     0.3804    0.0046   -0.0296    0.05533  
 221  H11  C24  5.2447     0.3435    0.0092   -0.0609    0.07426  
 222  H11  C25  6.0601     0.5493    0.0064   -0.0844    0.12774  
 223  H12  H13  3.0748     0.1179    0.0051   -0.0208    0.02015  
 224  H12  H14  2.5223     0.2322   -0.0150    0.0250    0.01132  
 225  H12  H15  3.6843     0.2006   -0.0054   -0.0376    0.05392  
 226  H12  C17  2.1218     0.0969   -0.0009   -0.0082    0.01356  
 227  H12  C18  2.8086     0.1457   -0.0093   -0.0094    0.02624  
 228  H12  C19  4.9564     0.5009   -0.0068   -0.0500    0.10749  
 229  H12  H20  4.4209     0.6033    0.0002   -0.0309    0.11305  
 230  H12  H21  3.0710     0.5867   -0.0064    0.0748    0.04372  
 231  H12  B22  3.6750     0.3091   -0.0081   -0.0339    0.06793  
 232  H12  C23  3.8264     0.4916   -0.0054   -0.0068    0.07540  
 233  H12  C24  5.0496     0.3198   -0.0040   -0.0781    0.10231  
 234  H12  C25  5.9885     0.4836   -0.0042   -0.1030    0.14617  
 235  H13  H14  3.0901     0.1277    0.0082   -0.0277    0.02471  
 236  H13  H15  2.4806     0.1830    0.0078    0.0011    0.00462  
 237  H13  C16  2.0897     0.0970    0.0051   -0.0065    0.00588  
 238  H13  C18  2.2163     0.1036    0.0056   -0.0066    0.00579  
 239  H13  C19  5.2797     0.2164    0.0082   -0.0789    0.07963  
 240  H13  H20  4.4686     0.3797    0.0079   -0.0372    0.06158  
 241  H13  H21  4.1439     0.3587    0.0094   -0.0414    0.06309  
 242  H13  B22  2.8858     0.1930    0.0044   -0.0081    0.01658  
 243  H13  C23  4.0846     0.2599    0.0069   -0.0388    0.04844  
 244  H13  C24  3.3058     0.3203    0.0051    0.0105    0.01543  
 245  H13  C25  4.3507     0.4507    0.0028   -0.0194    0.06323  
 246  H14  H15  1.7803     0.1232    0.0059   -0.0064    0.00897  
 247  H14  C16  2.6853     0.1542   -0.0024    0.0055    0.00574  
 248  H14  C17  2.1484     0.1070    0.0035   -0.0059    0.00774  
 249  H14  C19  3.4123     0.3268    0.0065    0.0003    0.02453  
 250  H14  H20  3.8475     0.1905    0.0092   -0.0273    0.02750  
 251  H14  H21  2.6162     0.2565    0.0057    0.0342   -0.01475  
 252  H14  B22  2.2420     0.1136    0.0043   -0.0066    0.00812  
 253  H14  C23  2.8481     0.1717    0.0056    0.0059   -0.00120  
 254  H14  C24  3.6171     0.1232    0.0075   -0.0249    0.02154  
 255  H14  C25  4.8769     0.1290    0.0075   -0.0538    0.04972  
 256  H15  C16  3.3106     0.1298    0.0031   -0.0240    0.02595  
 257  H15  C17  2.1452     0.1071    0.0046   -0.0060    0.00673  
 258  H15  C19  4.1468     0.2877    0.0064   -0.0300    0.04351  
 259  H15  H20  4.4463     0.1510    0.0100   -0.0465    0.04166  
 260  H15  H21  3.8441     0.1860    0.0096   -0.0271    0.02646  
 261  H15  B22  2.2472     0.1138    0.0045   -0.0068    0.00805  
 262  H15  C23  3.6154     0.1253    0.0067   -0.0245    0.02211  
 263  H15  C24  2.8531     0.1753    0.0072    0.0029    0.00070  
 264  H15  C25  4.3349     0.1786    0.0080   -0.0428    0.04207  
 265  C16  C18  2.5356     0.0647   -0.0008   -0.0053    0.00775  
 266  C16  C19  5.1729     0.3426    0.0027   -0.0636    0.08356  
 267  C16  H20  4.3968     0.4630    0.0051   -0.0232    0.06690  
 268  C16  H21  3.4052     0.4619    0.0018    0.0367    0.02416  
 269  C16  B22  3.4059     0.2095   -0.0003   -0.0221    0.03530  
 270  C16  C23  3.9089     0.3477    0.0021   -0.0126    0.04143  
 271  C16  C24  4.5432     0.2787    0.0027   -0.0517    0.06603  
 272  C16  C25  5.4900     0.4434    0.0011   -0.0755    0.11015  
 273  C17  C19  4.6257     0.1937    0.0056   -0.0545    0.05700  
 274  C17  H20  4.0127     0.2863    0.0068   -0.0224    0.03605  
 275  C17  H21  3.3145     0.3087    0.0065    0.0026    0.01966  
 276  C17  B22  2.4678     0.1136    0.0014   -0.0072    0.01103  
 277  C17  C23  3.4538     0.1905    0.0046   -0.0154    0.02128  
 278  C17  C24  3.3989     0.2050    0.0034   -0.0156    0.02459  
 279  C17  C25  4.5183     0.3137    0.0021   -0.0412    0.06094  
 280  C18  C19  3.5270     0.2058    0.0045   -0.0194    0.02694  
 281  C18  H20  3.5845     0.1324    0.0068   -0.0240    0.02200  
 282  C18  H21  2.8220     0.1662    0.0061    0.0047   -0.00093  
 283  C18  C23  2.7422     0.0779    0.0037   -0.0048    0.00327  
 284  C18  C24  2.7317     0.0784    0.0039   -0.0048    0.00312  
 285  C18  C25  4.0635     0.1009    0.0040   -0.0334    0.03191  
 286  C19  H20  2.1466     0.1073    0.0036   -0.0060    0.00776  
 287  C19  H21  2.1488     0.1067    0.0040   -0.0059    0.00721  
 288  C19  B22  2.4746     0.1140    0.0028   -0.0074    0.00992  
 289  C19  C24  3.3531     0.1853    0.0003   -0.0115    0.02147  
 290  C19  C25  3.7121     0.2766    0.0011    0.0054    0.01415  
 291  H20  H21  1.7786     0.1231    0.0058   -0.0064    0.00912  
 292  H20  B22  2.2395     0.1158    0.0048   -0.0069    0.00814  
 293  H20  C24  2.9763     0.1653   -0.0003    0.0008    0.00871  
 294  H20  C25  2.8485     0.2351   -0.0041    0.0580   -0.03447  
 295  H21  B22  2.2367     0.1120    0.0047   -0.0065    0.00746  
 296  H21  C24  3.6769     0.1125    0.0041   -0.0228    0.02215  
 297  H21  C25  4.1836     0.1666    0.0022   -0.0051    0.00947  
 298  B22  C25  2.6500     0.0789    0.0026   -0.0057    0.00539  
 299  C23  C24  2.7829     0.0758   -0.0006   -0.0046    0.00727  
 300  C23  C25  3.1843     0.1408   -0.0013    0.0195   -0.01199  
</ambor3>

<ambor4>
   1  H1   C2   1.0918     0.0767    0.0035    0.0000    0.00190  
   2  C2   C3   1.3347     0.0413    0.0006    0.0000    0.00070  
   3  C2   C9   1.5019     0.0497    0.0014    0.0000    0.00029  
   4  C3   H4   1.0887     0.0762    0.0034    0.0000    0.00194  
   5  C3   H5   1.0868     0.0753    0.0034    0.0000    0.00180  
   6  C6   C12  1.3347     0.0412    0.0004    0.0000    0.00091  
   7  C6   H21  1.0887     0.0763    0.0034    0.0000    0.00191  
   8  C6   H22  1.0868     0.0753    0.0034    0.0000    0.00186  
   9  H7   C12  1.0918     0.0768    0.0037    0.0000    0.00169  
  10  C8   B11  1.5882     0.0543    0.0010    0.0000    0.00086  
  11  C8   C12  1.5019     0.0497    0.0012    0.0000    0.00044  
  12  C8   H18  1.1013     0.0778    0.0040    0.0000    0.00149  
  13  C8   H19  1.1063     0.0789    0.0038    0.0000    0.00184  
  14  C9   B11  1.5880     0.0542    0.0014    0.0000    0.00047  
  15  C9   H16  1.1063     0.0787    0.0040    0.0000    0.00159  
  16  C9   H17  1.1013     0.0780    0.0038    0.0000    0.00170  
  17  C10  B11  1.5881     0.0542    0.0014    0.0000    0.00041  
  18  C10  C13  1.5019     0.0497    0.0008    0.0000    0.00087  
  19  C10  H14  1.1013     0.0777    0.0040    0.0000    0.00153  
  20  C10  H15  1.1063     0.0786    0.0038    0.0000    0.00184  
  21  C13  C20  1.3347     0.0410    0.0006    0.0000    0.00065  
  22  C13  H23  1.0918     0.0764    0.0037    0.0000    0.00161  
  23  C20  H24  1.0868     0.0753    0.0033    0.0000    0.00187  
  24  C20  H25  1.0887     0.0759    0.0035    0.0000    0.00179  
  25  H1   C3   2.0872     0.0980    0.0043   -0.0083    0.00860  
  26  H1   H4   3.0728     0.1201    0.0085   -0.0235    0.01962  
  27  H1   H5   2.4264     0.1636    0.0093   -0.0064    0.00812  
  28  H1   C6   6.2088     0.3762    0.0105   -0.1407    0.15303  
  29  H1   H7   5.0638     0.4383    0.0104   -0.0041    0.03163  
  30  H1   C8   4.5362     0.1819    0.0093   -0.0545    0.05246  
  31  H1   C9   2.2109     0.1044    0.0058   -0.0050    0.00409  
  32  H1   C10  3.1126     0.3601   -0.0017    0.0643   -0.02103  
  33  H1   B11  3.0327     0.1829    0.0063   -0.0027    0.00745  
  34  H1   C12  5.1810     0.2409    0.0117   -0.0660    0.06553  
  35  H1   C13  4.5827     0.3747   -0.0020    0.0129    0.01971  
  36  H1   H14  2.9765     0.5896   -0.0026    0.0620    0.05741  
  37  H1   H15  2.6596     0.4833   -0.0068    0.1966   -0.10202  
  38  H1   H16  2.5494     0.1862    0.0088   -0.0024    0.00717  
  39  H1   H17  3.1048     0.1278    0.0083   -0.0272    0.02413  
  40  H1   H18  5.2113     0.2571    0.0084   -0.1117    0.11595  
  41  H1   H19  4.8898     0.3975    0.0145   -0.0542    0.07199  
  42  H1   C20  5.5138     0.4637    0.0008   -0.0217    0.05984  
  43  H1   H21  6.6435     0.5347    0.0142   -0.1993    0.22808  
  44  H1   H22  6.8491     0.4325    0.0141   -0.1452    0.15838  
  45  H1   H23  5.1002     0.4146    0.0031   -0.0001    0.03070  
  46  H1   H24  6.5496     0.4487    0.0039   -0.0507    0.07758  
  47  H1   H25  5.4631     0.6191    0.0084   -0.0323    0.09404  
  48  C2   H4   2.1198     0.0989    0.0051   -0.0097    0.00926  
  49  C2   H5   2.1196     0.0962    0.0059   -0.0076    0.00606  
  50  C2   C6   5.4707     0.3968    0.0048   -0.0638    0.08779  
  51  C2   H7   4.5728     0.3820    0.0055    0.0112    0.01525  
  52  C2   C8   4.1044     0.0852    0.0047   -0.0399    0.03699  
  53  C2   C10  3.0936     0.1396   -0.0005    0.0315   -0.02473  
  54  C2   B11  2.6523     0.0758    0.0032   -0.0062    0.00523  
  55  C2   C12  4.5935     0.1575    0.0060   -0.0242    0.02361  
  56  C2   C13  4.5899     0.1536    0.0006   -0.0173    0.02186  
  57  C2   H14  2.8437     0.3130   -0.0012    0.0944   -0.05878  
  58  C2   H15  3.0254     0.3513   -0.0033    0.0657   -0.02158  
  59  C2   H16  2.1474     0.1085    0.0045   -0.0057    0.00673  
  60  C2   H17  2.1534     0.1069    0.0035   -0.0057    0.00756  
  61  C2   H18  4.7210     0.2658    0.0043   -0.0795    0.09020  
  62  C2   H19  4.6853     0.2779    0.0102   -0.0787    0.08501  
  63  C2   C20  5.4348     0.2619    0.0049   -0.0213    0.02909  
  64  C2   H21  5.8638     0.6248    0.0081   -0.1125    0.17094  
  65  C2   H22  6.0790     0.4205    0.0081   -0.0571    0.07816  
  66  C2   H23  5.1987     0.2154    0.0052   -0.0535    0.05716  
  67  C2   H24  6.4957     0.2569    0.0082   -0.0568    0.05878  
  68  C2   H25  5.2935     0.4221    0.0126    0.0016    0.01945  
  69  C3   C6   6.1176     0.5444   -0.0014   -0.0305    0.08039  
  70  C3   H7   5.5271     0.4867    0.0019   -0.0298    0.07074  
  71  C3   C8   5.0798     0.1588    0.0014   -0.0530    0.05655  
  72  C3   C9   2.5241     0.0659   -0.0010   -0.0048    0.00747  
  73  C3   C10  4.0182     0.3323    0.0025   -0.0015    0.02646  
  74  C3   B11  3.6854     0.1467    0.0023   -0.0211    0.02469  
  75  C3   C12  5.4623     0.2703    0.0010   -0.0279    0.04023  
  76  C3   C13  5.4531     0.3708    0.0037   -0.0495    0.07104  
  77  C3   H14  3.4444     0.4827    0.0014    0.1123   -0.04599  
  78  C3   H15  4.0891     0.5119    0.0007   -0.0184    0.08183  
  79  C3   H16  3.2513     0.1396    0.0019   -0.0209    0.02502  
  80  C3   H17  2.6748     0.1505   -0.0024    0.0056    0.00524  
  81  C3   H18  5.5396     0.3994    0.0002   -0.0727    0.10130  
  82  C3   H19  5.8040     0.2394    0.0078   -0.1272    0.12930  
  83  C3   C20  6.0690     0.5190    0.0091   -0.0227    0.05798  
  84  C3   H21  6.3994     0.8155    0.0007   -0.0631    0.16632  
  85  C3   H22  6.6572     0.5893    0.0012   -0.0213    0.07230  
  86  C3   H23  6.2114     0.3387    0.0080   -0.1147    0.12518  
  87  C3   H24  7.1525     0.5271    0.0124   -0.0675    0.09391  
  88  C3   H25  5.6976     0.6752    0.0164    0.0402    0.02340  
  89  H4   H5   1.8496     0.1194    0.0017   -0.0074    0.01345  
  90  H4   C6   5.7698     0.7123   -0.0045    0.0446    0.04782  
  91  H4   H7   5.5020     0.6736    0.0009   -0.0420    0.12361  
  92  H4   C8   5.1446     0.2897    0.0010   -0.0452    0.06054  
  93  H4   C9   2.7968     0.1503    0.0011   -0.0072    0.01413  
  94  H4   C10  4.4909     0.5136    0.0069   -0.0518    0.10362  
  95  H4   B11  3.9529     0.2562    0.0041   -0.0312    0.04368  
  96  H4   C12  5.3425     0.4471   -0.0011    0.0000    0.03848  
  97  H4   C13  5.8359     0.5866    0.0087   -0.0969    0.14715  
  98  H4   H14  3.8866     0.7051    0.0063    0.0582    0.06338  
  99  H4   H15  4.7868     0.5902    0.0058   -0.1014    0.16837  
 100  H4   H16  3.5824     0.2199    0.0030   -0.0324    0.04287  
 101  H4   H17  2.4965     0.2278   -0.0035    0.0276   -0.00333  
 102  H4   H18  5.4980     0.5450   -0.0003   -0.0478    0.10215  
 103  H4   H19  6.0175     0.2895    0.0074   -0.1521    0.15859  
 104  H4   C20  6.3395     0.7780    0.0151   -0.0574    0.13783  
 105  H4   H21  5.9734     0.9820   -0.0035    0.0307    0.13424  
 106  H4   H22  6.2356     0.7939   -0.0028    0.0608    0.04306  
 107  H4   H23  6.6312     0.5003    0.0124   -0.1704    0.19578  
 108  H4   H24  7.4005     0.7952    0.0185   -0.1027    0.16967  
 109  H4   H25  5.8941     0.9372    0.0223    0.0205    0.10620  
 110  H5   C6   7.2014     0.5501    0.0024   -0.0822    0.12179  
 111  H5   H7   6.5549     0.4643    0.0078   -0.0622    0.08731  
 112  H5   C8   6.0590     0.1705    0.0073   -0.0796    0.07711  
 113  H5   C9   3.5128     0.0972    0.0048   -0.0180    0.01590  
 114  H5   C10  4.6547     0.3419    0.0080    0.0108    0.00628  
 115  H5   B11  4.5877     0.1640    0.0083   -0.0330    0.03057  
 116  H5   C12  6.5193     0.2625    0.0063   -0.0676    0.07181  
 117  H5   C13  6.0629     0.3960    0.0082   -0.0417    0.05931  
 118  H5   H14  3.9709     0.4913    0.0051    0.1370   -0.08124  
 119  H5   H15  4.5747     0.5705    0.0069    0.0084    0.05586  
 120  H5   H16  4.1601     0.1591    0.0082   -0.0320    0.02994  
 121  H5   H17  3.7574     0.1636    0.0016   -0.0143    0.01984  
 122  H5   H18  6.4990     0.4009    0.0047   -0.1010    0.12098  
 123  H5   H19  6.7170     0.2721    0.0147   -0.1470    0.14334  
 124  H5   C20  6.6063     0.5603    0.0121   -0.0115    0.04694  
 125  H5   H21  7.4650     0.8282    0.0036   -0.1153    0.20354  
 126  H5   H22  7.7416     0.6010    0.0045   -0.0791    0.12122  
 127  H5   H23  6.8562     0.3876    0.0135   -0.1157    0.12417  
 128  H5   H24  7.6909     0.5741    0.0154   -0.0609    0.08839  
 129  H5   H25  6.1566     0.7431    0.0176    0.0581    0.01395  
 130  C6   H7   2.0870     0.0981    0.0043   -0.0102    0.01057  
 131  C6   C8   2.5245     0.0655    0.0039   -0.0041    0.00191  
 132  C6   C9   4.0205     0.3640    0.0043   -0.0050    0.03368  
 133  C6   C10  5.0778     0.1550    0.0077   -0.0518    0.04885  
 134  C6   B11  3.6855     0.1552    0.0040   -0.0217    0.02423  
 135  C6   C13  5.4482     0.2703    0.0127   -0.0331    0.03376  
 136  C6   H14  5.5544     0.3616    0.0069   -0.0677    0.08432  
 137  C6   H15  5.7951     0.2347    0.0107   -0.1191    0.11793  
 138  C6   H16  4.0460     0.5733    0.0061   -0.0196    0.09482  
 139  C6   H17  3.4773     0.5236    0.0015    0.1264   -0.04908  
 140  C6   H18  2.6750     0.1505    0.0076    0.0067   -0.00585  
 141  C6   H19  3.2517     0.1425    0.0056   -0.0211    0.02172  
 142  C6   C20  6.1114     0.4959    0.0146   -0.0327    0.05828  
 143  C6   H23  5.4969     0.4439    0.0163   -0.0382    0.05780  
 144  C6   H24  6.6436     0.5575    0.0189   -0.0294    0.05732  
 145  C6   H25  6.4068     0.7023    0.0177   -0.0554    0.11473  
 146  H7   C8   2.2109     0.1051    0.0005   -0.0035    0.00805  
 147  H7   C9   3.1115     0.3739    0.0037    0.0728   -0.03155  
 148  H7   C10  4.5380     0.1796    0.0003   -0.0542    0.06099  
 149  H7   B11  3.0332     0.1858   -0.0006   -0.0001    0.01203  
 150  H7   C13  5.1929     0.2282    0.0017   -0.0726    0.08097  
 151  H7   H14  5.2129     0.2607    0.0029   -0.1045    0.11466  
 152  H7   H15  4.8817     0.3788    0.0022   -0.0522    0.07935  
 153  H7   H16  2.6182     0.4942    0.0038    0.2385   -0.14893  
 154  H7   H17  3.0200     0.6529    0.0040    0.0631    0.07410  
 155  H7   H18  3.1046     0.1281    0.0059   -0.0263    0.02570  
 156  H7   H19  2.5490     0.1882    0.0012   -0.0012    0.01393  
 157  H7   C20  6.2254     0.3178    0.0038   -0.1338    0.14620  
 158  H7   H21  3.0728     0.1201    0.0088   -0.0263    0.02225  
 159  H7   H22  2.4259     0.1638    0.0087   -0.0055    0.00783  
 160  H7   H23  5.0770     0.4199    0.0034   -0.0286    0.05987  
 161  H7   H24  6.8700     0.3724    0.0065   -0.1431    0.15678  
 162  H7   H25  6.6582     0.4544    0.0111   -0.1807    0.20065  
 163  C8   C9   2.7509     0.0741    0.0036   -0.0051    0.00349  
 164  C8   C10  2.7507     0.0742    0.0033   -0.0051    0.00381  
 165  C8   C13  3.0952     0.1360    0.0049    0.0251   -0.02402  
 166  C8   H14  3.5017     0.2150    0.0037   -0.0446    0.05415  
 167  C8   H15  3.4074     0.2459    0.0090   -0.0409    0.04969  
 168  C8   H16  2.9486     0.1939    0.0068    0.0168   -0.01087  
 169  C8   H17  2.9266     0.1940    0.0043    0.0204   -0.01178  
 170  C8   C20  4.0363     0.3017    0.0042   -0.0046    0.02288  
 171  C8   H21  2.7978     0.1493    0.0101   -0.0052    0.00306  
 172  C8   H22  3.5129     0.0970    0.0076   -0.0176    0.01266  
 173  C8   H23  3.0963     0.3308    0.0093    0.0543   -0.02826  
 174  C8   H24  4.6704     0.3173    0.0075    0.0035    0.01056  
 175  C8   H25  4.5201     0.4598    0.0089   -0.0482    0.08605  
 176  C9   C10  2.7506     0.0741   -0.0003   -0.0052    0.00749  
 177  C9   C12  3.0941     0.1407    0.0048    0.0339   -0.03228  
 178  C9   C13  4.1026     0.0841    0.0018   -0.0369    0.03682  
 179  C9   H14  2.9072     0.1846    0.0005    0.0183   -0.00708  
 180  C9   H15  2.9702     0.1989   -0.0011    0.0100    0.00441  
 181  C9   H18  3.4869     0.2454    0.0047   -0.0509    0.06349  
 182  C9   H19  3.4251     0.2656    0.0085   -0.0484    0.06052  
 183  C9   C20  5.0635     0.1652    0.0059   -0.0495    0.04895  
 184  C9   H21  4.4947     0.5645    0.0085   -0.0586    0.12100  
 185  C9   H22  4.6566     0.3679    0.0077    0.0091    0.01231  
 186  C9   H23  4.5485     0.1762    0.0059   -0.0514    0.05232  
 187  C9   H24  6.0452     0.1760    0.0094   -0.0747    0.07043  
 188  C9   H25  5.1161     0.2953    0.0138   -0.0439    0.04717  
 189  C10  C12  4.1041     0.0855    0.0041   -0.0404    0.03814  
 190  C10  H16  3.4272     0.2611    0.0015   -0.0482    0.06657  
 191  C10  H17  3.4845     0.2388    0.0055   -0.0502    0.06109  
 192  C10  H18  2.9241     0.1925    0.0049    0.0218   -0.01406  
 193  C10  H19  2.9513     0.1957    0.0046    0.0175   -0.00917  
 194  C10  C20  2.5241     0.0651    0.0038   -0.0049    0.00279  
 195  C10  H21  5.1417     0.2798    0.0151   -0.0407    0.04080  
 196  C10  H22  6.0573     0.1686    0.0108   -0.0787    0.07263  
 197  C10  H23  2.2111     0.1039    0.0054   -0.0059    0.00531  
 198  C10  H24  3.5127     0.0969    0.0073   -0.0179    0.01323  
 199  C10  H25  2.7967     0.1481    0.0111   -0.0084    0.00514  
 200  B11  C12  2.6524     0.0759    0.0019   -0.0064    0.00668  
 201  B11  C13  2.6522     0.0761    0.0024   -0.0060    0.00581  
 202  B11  H14  2.1875     0.1275    0.0034   -0.0072    0.01121  
 203  B11  H15  2.1678     0.1335    0.0049   -0.0072    0.01054  
 204  B11  H16  2.1681     0.1376    0.0037   -0.0075    0.01252  
 205  B11  H17  2.1868     0.1302    0.0049   -0.0073    0.01022  
 206  B11  H18  2.1871     0.1311    0.0031   -0.0066    0.01132  
 207  B11  H19  2.1685     0.1383    0.0046   -0.0067    0.01088  
 208  B11  C20  3.6846     0.1415    0.0049   -0.0202    0.02072  
 209  B11  H21  3.9533     0.2687    0.0104   -0.0305    0.03833  
 210  B11  H22  4.5877     0.1700    0.0075   -0.0336    0.03233  
 211  B11  H23  3.0335     0.1808    0.0064   -0.0045    0.00879  
 212  B11  H24  4.5871     0.1600    0.0081   -0.0322    0.02966  
 213  B11  H25  3.9517     0.2489    0.0121   -0.0306    0.03423  
 214  C12  C13  4.5930     0.1514    0.0064   -0.0321    0.03069  
 215  C12  H14  4.7306     0.2448    0.0046   -0.0746    0.08271  
 216  C12  H15  4.6744     0.2635    0.0080   -0.0739    0.08075  
 217  C12  H16  2.9860     0.3677    0.0074    0.0816   -0.04373  
 218  C12  H17  2.8797     0.3438    0.0033    0.1032   -0.06543  
 219  C12  H18  2.1532     0.1068    0.0046   -0.0052    0.00588  
 220  C12  H19  2.1473     0.1084    0.0039   -0.0053    0.00693  
 221  C12  C20  5.4787     0.3383    0.0071   -0.0629    0.07675  
 222  C12  H21  2.1201     0.0988    0.0051   -0.0114    0.01092  
 223  C12  H22  2.1195     0.0963    0.0053   -0.0069    0.00595  
 224  C12  H23  4.5629     0.3435    0.0098   -0.0072    0.02332  
 225  C12  H24  6.0857     0.3699    0.0102   -0.0618    0.07404  
 226  C12  H25  5.8783     0.5240    0.0120   -0.1013    0.13595  
 227  C13  H14  2.1532     0.1067    0.0035   -0.0059    0.00770  
 228  C13  H15  2.1475     0.1084    0.0037   -0.0059    0.00770  
 229  C13  H16  4.6985     0.2676    0.0030   -0.0791    0.09126  
 230  C13  H17  4.7058     0.2739    0.0083   -0.0776    0.08520  
 231  C13  H18  2.8600     0.3383    0.0079    0.0948   -0.06267  
 232  C13  H19  3.0115     0.3678    0.0017    0.0682   -0.02500  
 233  C13  H21  5.3164     0.4454    0.0216   -0.0011    0.01676  
 234  C13  H22  6.5074     0.2620    0.0157   -0.0726    0.06751  
 235  C13  H24  2.1196     0.0964    0.0052   -0.0078    0.00692  
 236  C13  H25  2.1199     0.0982    0.0058   -0.0089    0.00765  
 237  H14  H15  1.7366     0.1275    0.0053   -0.0060    0.01009  
 238  H14  H16  3.8091     0.2624    0.0040   -0.0639    0.07795  
 239  H14  H17  3.5017     0.3954    0.0051   -0.0153    0.05482  
 240  H14  H18  3.5403     0.3653    0.0025   -0.0049    0.04007  
 241  H14  H19  3.9207     0.2298    0.0067   -0.0615    0.06834  
 242  H14  C20  2.6745     0.1500    0.0064    0.0053   -0.00328  
 243  H14  H21  5.5204     0.4943    0.0124   -0.0410    0.07285  
 244  H14  H22  6.5104     0.3703    0.0103   -0.0963    0.10703  
 245  H14  H23  3.1047     0.1269    0.0085   -0.0276    0.02427  
 246  H14  H24  3.7571     0.1632    0.0099   -0.0145    0.01172  
 247  H14  H25  2.4964     0.2256    0.0120    0.0259   -0.01755  
 248  H15  H16  3.4198     0.4261   -0.0006   -0.0073    0.06097  
 249  H15  H17  3.9268     0.2382    0.0049   -0.0735    0.08310  
 250  H15  H18  3.8097     0.2682    0.0116   -0.0567    0.06396  
 251  H15  H19  3.3753     0.3980    0.0119    0.0111    0.02397  
 252  H15  C20  3.2520     0.1374    0.0055   -0.0209    0.02114  
 253  H15  H21  6.0078     0.2813    0.0188   -0.1380    0.13241  
 254  H15  H22  6.7104     0.2703    0.0131   -0.1405    0.13832  
 255  H15  H23  2.5489     0.1855    0.0080   -0.0030    0.00851  
 256  H15  H24  4.1607     0.1583    0.0088   -0.0319    0.02908  
 257  H15  H25  3.5836     0.2149    0.0125   -0.0326    0.03299  
 258  H16  H17  1.7366     0.1275    0.0050   -0.0061    0.01040  
 259  H16  H18  3.9069     0.2497    0.0095   -0.0742    0.08066  
 260  H16  H19  3.4047     0.4309    0.0109    0.0002    0.04343  
 261  H16  C20  5.8050     0.2320    0.0070   -0.1212    0.12349  
 262  H16  H21  4.7479     0.6691    0.0113   -0.1123    0.19528  
 263  H16  H22  4.5278     0.6321    0.0086    0.0114    0.06823  
 264  H16  H23  4.9218     0.3814    0.0059   -0.0621    0.08573  
 265  H16  H24  6.7246     0.2593    0.0100   -0.1420    0.14193  
 266  H16  H25  6.0029     0.2898    0.0158   -0.1421    0.14032  
 267  H17  H18  3.5130     0.4136    0.0053   -0.0112    0.05463  
 268  H17  H19  3.8297     0.2756    0.0093   -0.0705    0.08100  
 269  H17  C20  5.5086     0.4112    0.0129   -0.0744    0.09218  
 270  H17  H21  3.9095     0.7722    0.0046    0.0701    0.07783  
 271  H17  H22  4.0078     0.5315    0.0042    0.1548   -0.08842  
 272  H17  H23  5.2052     0.2637    0.0121   -0.1065    0.10777  
 273  H17  H24  6.4661     0.4174    0.0166   -0.1011    0.11152  
 274  H17  H25  5.4590     0.5510    0.0199   -0.0544    0.09011  
 275  H18  H19  1.7366     0.1275    0.0051   -0.0060    0.01031  
 276  H18  C20  3.4820     0.4563    0.0047    0.1174   -0.06225  
 277  H18  H21  2.4976     0.2285    0.0123    0.0306   -0.02198  
 278  H18  H22  3.7576     0.1634    0.0111   -0.0135    0.00949  
 279  H18  H23  2.9662     0.6004    0.0142    0.0614    0.04593  
 280  H18  H24  4.0016     0.4814    0.0086    0.1381   -0.08878  
 281  H18  H25  3.9400     0.6346    0.0055    0.0715    0.02522  
 282  H19  C20  4.0923     0.5192   -0.0011   -0.0105    0.07749  
 283  H19  H21  3.5837     0.2243    0.0119   -0.0326    0.03475  
 284  H19  H22  4.1602     0.1608    0.0091   -0.0320    0.02913  
 285  H19  H23  2.6303     0.4691    0.0037    0.1942   -0.11425  
 286  H19  H24  4.5794     0.5834    0.0000    0.0118    0.06244  
 287  H19  H25  4.7974     0.5739    0.0052   -0.0861    0.14957  
 288  C20  H21  5.7533     0.6655    0.0228    0.0408    0.01341  
 289  C20  H22  7.1946     0.5051    0.0181   -0.0830    0.10039  
 290  C20  H23  2.0872     0.0977   -0.0005   -0.0073    0.01235  
 291  H21  H22  1.8494     0.1196    0.0018   -0.0061    0.01205  
 292  H21  H23  5.4515     0.6339    0.0261   -0.0393    0.08694  
 293  H21  H24  6.2048     0.7698    0.0277    0.0501    0.01769  
 294  H21  H25  5.9798     0.8523    0.0230    0.0357    0.06284  
 295  H22  H23  6.5308     0.4227    0.0188   -0.0724    0.08095  
 296  H22  H24  7.7286     0.5702    0.0222   -0.0855    0.10540  
 297  H22  H25  7.4687     0.7242    0.0217   -0.1062    0.15478  
 298  H23  H24  2.4263     0.1634    0.0008   -0.0072    0.01744  
 299  H23  H25  3.0727     0.1193    0.0058   -0.0220    0.02088  
 300  H24  H25  1.8495     0.1190    0.0017   -0.0082    0.01419  
</ambor4>


<ambor5>
   1  C1   B17  1.5941     0.0546    0.0010    0.0000    0.00089  
   2  C1   C19  1.5118     0.0509    0.0009    0.0000    0.00085  
   3  C1   H24  1.0994     0.0773    0.0039    0.0000    0.00156  
   4  C1   H25  1.0971     0.0769    0.0040    0.0000    0.00139  
   5  H2   C4   1.0869     0.0753    0.0031    0.0000    0.00215  
   6  H3   C4   1.0875     0.0753    0.0034    0.0000    0.00183  
   7  C4   C14  1.3364     0.0412    0.0007    0.0000    0.00060  
   8  H5   C14  1.0906     0.0760    0.0038    0.0000    0.00153  
   9  H6   C11  1.0869     0.0753    0.0031    0.0000    0.00209  
  10  H7   C11  1.0887     0.0764    0.0034    0.0000    0.00200  
  11  H8   C12  1.0919     0.0768    0.0036    0.0000    0.00183  
  12  H9   C13  1.1028     0.0780    0.0039    0.0000    0.00157  
  13  H10  C13  1.1039     0.0786    0.0039    0.0000    0.00168  
  14  C11  C12  1.3350     0.0411    0.0008    0.0000    0.00042  
  15  C12  C13  1.5020     0.0497    0.0013    0.0000    0.00031  
  16  C13  B17  1.5895     0.0543    0.0014    0.0000    0.00040  
  17  C14  C18  1.5162     0.0513    0.0012    0.0000    0.00049  
  18  H15  C18  1.0983     0.0772    0.0039    0.0000    0.00154  
  19  H16  C18  1.0947     0.0766    0.0040    0.0000    0.00140  
  20  B17  C18  1.5865     0.0541    0.0015    0.0000    0.00035  
  21  C19  H20  1.0910     0.0760    0.0037    0.0000    0.00157  
  22  C19  C21  1.3361     0.0411    0.0006    0.0000    0.00066  
  23  C21  H22  1.0867     0.0753    0.0033    0.0000    0.00188  
  24  C21  H23  1.0884     0.0755    0.0035    0.0000    0.00174  
  25  C1   H2   5.0603     0.3783    0.0094   -0.0638    0.08267  
  26  C1   H3   4.8643     0.4457    0.0048   -0.0949    0.13094  
  27  C1   C4   4.3798     0.3392    0.0066   -0.0590    0.07870  
  28  C1   H5   3.2495     0.2772   -0.0004    0.0223    0.00173  
  29  C1   H6   6.0940     0.1427    0.0090   -0.0863    0.08063  
  30  C1   H7   5.2464     0.2533   -0.0062   -0.0587    0.07722  
  31  C1   H8   4.4517     0.2122    0.0067   -0.0479    0.05124  
  32  C1   H9   2.9777     0.2211    0.0081    0.0091   -0.00079  
  33  C1   H10  2.8198     0.1835    0.0052    0.0322   -0.02542  
  34  C1   C11  5.1252     0.1254    0.0035   -0.0611    0.06075  
  35  C1   C12  4.0822     0.0901    0.0047   -0.0414    0.03870  
  36  C1   C13  2.7218     0.0779    0.0041   -0.0048    0.00292  
  37  C1   C14  3.3118     0.1782    0.0048   -0.0123    0.01713  
  38  C1   H15  2.9179     0.1737    0.0081   -0.0024    0.00466  
  39  C1   H16  3.6614     0.1129    0.0067   -0.0208    0.01756  
  40  C1   C18  2.7507     0.0777    0.0041   -0.0047    0.00279  
  41  C1   H20  2.2168     0.1033    0.0056   -0.0065    0.00571  
  42  C1   C21  2.5341     0.0647    0.0038   -0.0052    0.00306  
  43  C1   H22  3.5219     0.0972    0.0073   -0.0181    0.01346  
  44  C1   H23  2.8062     0.1450    0.0109   -0.0090    0.00561  
  45  H2   H3   1.8529     0.1186    0.0076   -0.0086    0.00867  
  46  H2   H5   2.4283     0.1635    0.0097   -0.0080    0.00938  
  47  H2   H6   5.3747     0.6535    0.0022    0.1177   -0.04042  
  48  H2   H7   4.5867     0.7207   -0.0061    0.1595   -0.04013  
  49  H2   H8   5.5264     0.7545    0.0111   -0.0569    0.14874  
  50  H2   H9   4.6112     0.6004   -0.0021   -0.0047    0.08496  
  51  H2   H10  5.8531     0.3823    0.0082   -0.1095    0.12628  
  52  H2   C11  4.8340     0.5392    0.0012    0.1146   -0.05567  
  53  H2   C12  4.9213     0.5053    0.0059    0.0142    0.03173  
  54  H2   C13  4.7889     0.3779    0.0042   -0.0272    0.05281  
  55  H2   C14  2.1176     0.0965    0.0054   -0.0078    0.00682  
  56  H2   H15  4.2199     0.1579    0.0083   -0.0407    0.03838  
  57  H2   H16  3.7721     0.1740    0.0092   -0.0089    0.00777  
  58  H2   B17  4.2102     0.2705    0.0082   -0.0353    0.04448  
  59  H2   C18  3.5234     0.0973    0.0075   -0.0179    0.01310  
  60  H2   C19  6.2887     0.3212    0.0110   -0.1105    0.11588  
  61  H2   H20  6.3381     0.3944    0.0152   -0.1015    0.11082  
  62  H2   C21  7.4694     0.3200    0.0127   -0.1567    0.15765  
  63  H2   H22  8.3434     0.3221    0.0159   -0.1870    0.18347  
  64  H2   H23  7.7345     0.4082    0.0200   -0.1722    0.17382  
  65  H2   H24  4.7142     0.4787    0.0108   -0.0418    0.07959  
  66  H2   H25  5.5283     0.5037    0.0105   -0.0711    0.10644  
  67  H3   H5   3.0744     0.1181    0.0052   -0.0213    0.02058  
  68  H3   H6   3.6668     0.6535   -0.0038    0.2724   -0.15217  
  69  H3   H7   3.3159     0.8239   -0.0083    0.1814    0.03168  
  70  H3   H8   3.9084     0.9172    0.0026    0.0373    0.17535  
  71  H3   H9   3.8408     0.7189   -0.0064   -0.0315    0.17242  
  72  H3   H10  4.8454     0.5818    0.0026   -0.0853    0.15253  
  73  H3   C11  3.2702     0.6149   -0.0054    0.2208   -0.09979  
  74  H3   C12  3.4212     0.6631   -0.0020    0.0925    0.03807  
  75  H3   C13  3.7556     0.5754   -0.0023   -0.0115    0.10192  
  76  H3   C14  2.1197     0.0973   -0.0009   -0.0086    0.01397  
  77  H3   H15  3.7228     0.2128    0.0009   -0.0523    0.06356  
  78  H3   H16  2.5461     0.2622   -0.0020    0.0388   -0.00988  
  79  H3   B17  3.5436     0.4073    0.0027   -0.0442    0.08839  
  80  H3   C18  2.8011     0.1470   -0.0007   -0.0095    0.01785  
  81  H3   C19  5.9112     0.3323    0.0046   -0.1273    0.14143  
  82  H3   H20  5.9880     0.3336    0.0075   -0.1214    0.13251  
  83  H3   C21  6.9581     0.3948    0.0061   -0.1622    0.17851  
  84  H3   H22  7.7676     0.3841    0.0084   -0.1871    0.19774  
  85  H3   H23  7.2123     0.5243    0.0135   -0.1747    0.19936  
  86  H3   H24  4.9027     0.4689    0.0082   -0.0985    0.13509  
  87  H3   H25  5.3809     0.5927    0.0071   -0.1040    0.16213  
  88  C4   H5   2.0920     0.0971    0.0050   -0.0069    0.00637  
  89  C4   H6   4.6086     0.5360    0.0012    0.1444   -0.08326  
  90  C4   H7   3.9944     0.6780   -0.0080    0.1366   -0.01351  
  91  C4   H8   4.5002     0.7401    0.0081   -0.0143    0.12791  
  92  C4   H9   3.9228     0.5596   -0.0037   -0.0110    0.09450  
  93  C4   H10  4.9771     0.3695    0.0064   -0.0883    0.10937  
  94  C4   C11  4.0488     0.4606   -0.0012    0.1322   -0.07861  
  95  C4   C12  3.9776     0.4681    0.0029    0.0452    0.00691  
  96  C4   C13  3.9116     0.3652    0.0015   -0.0119    0.04449  
  97  C4   H15  3.3348     0.1367    0.0048   -0.0322    0.03307  
  98  C4   H16  2.6983     0.1680    0.0057    0.0132   -0.00846  
  99  C4   B17  3.3211     0.2724    0.0054   -0.0273    0.04425  
 100  C4   C18  2.5354     0.0655    0.0038   -0.0050    0.00289  
 101  C4   C19  5.5076     0.2693    0.0078   -0.0947    0.10009  
 102  C4   H20  5.5439     0.3350    0.0114   -0.0840    0.09284  
 103  C4   C21  6.6610     0.2840    0.0095   -0.1342    0.13676  
 104  C4   H22  7.4976     0.2937    0.0125   -0.1588    0.15784  
 105  C4   H23  6.9639     0.3748    0.0169   -0.1499    0.15321  
 106  C4   H24  4.2011     0.4149    0.0085   -0.0468    0.07931  
 107  C4   H25  4.9405     0.4492    0.0084   -0.0673    0.09980  
 108  H5   H6   6.1368     0.3932    0.0033   -0.0174    0.03923  
 109  H5   H7   5.3961     0.6256   -0.0090    0.0021    0.07939  
 110  H5   H8   5.2606     0.4418    0.0042   -0.0715    0.10441  
 111  H5   H9   4.2843     0.5278   -0.0026   -0.0348    0.10245  
 112  H5   H10  5.0119     0.2715    0.0029   -0.0991    0.11086  
 113  H5   C11  5.3895     0.3844   -0.0010   -0.0078    0.03624  
 114  H5   C12  4.8463     0.2651    0.0007   -0.0352    0.04904  
 115  H5   C13  4.1860     0.2679   -0.0013   -0.0418    0.06018  
 116  H5   H15  2.4530     0.1894    0.0003    0.0097    0.00460  
 117  H5   H16  3.0798     0.1320    0.0057   -0.0335    0.03351  
 118  H5   B17  2.9096     0.2011   -0.0013   -0.0085    0.02368  
 119  H5   C18  2.2208     0.1034    0.0005   -0.0066    0.01094  
 120  H5   C19  4.2802     0.3310    0.0011   -0.0077    0.03220  
 121  H5   H20  4.1711     0.4735    0.0051    0.0182    0.03049  
 122  H5   C21  5.5748     0.3110    0.0025   -0.0575    0.07235  
 123  H5   H22  6.3692     0.3741    0.0057   -0.0753    0.09154  
 124  H5   H23  6.0345     0.3099    0.0102   -0.0867    0.09246  
 125  H5   H24  2.6455     0.3553    0.0001    0.0997   -0.05210  
 126  H5   H25  3.9895     0.3575    0.0025   -0.0036    0.03309  
 127  H6   H7   1.8499     0.1195    0.0075   -0.0084    0.00870  
 128  H6   H8   2.4267     0.1638    0.0103   -0.0054    0.00615  
 129  H6   H9   3.7535     0.1631    0.0008   -0.0142    0.02049  
 130  H6   H10  4.1501     0.1592    0.0078   -0.0308    0.02912  
 131  H6   C12  2.1199     0.0964    0.0059   -0.0080    0.00642  
 132  H6   C13  3.5158     0.0971    0.0046   -0.0181    0.01619  
 133  H6   C14  5.0993     0.3627   -0.0004    0.0502   -0.02403  
 134  H6   H15  5.6791     0.4058    0.0053   -0.0212    0.04495  
 135  H6   H16  3.9965     0.4793   -0.0028    0.0724   -0.01207  
 136  H6   B17  4.6048     0.1650    0.0076   -0.0334    0.03166  
 137  H6   C18  4.7090     0.3281    0.0020    0.0226   -0.00175  
 138  H6   C19  6.8017     0.3457    0.0087   -0.1332    0.14204  
 139  H6   H20  7.1706     0.4733    0.0100   -0.1392    0.16046  
 140  H6   C21  7.2750     0.5511    0.0118   -0.1744    0.20435  
 141  H6   H22  7.9714     0.7014    0.0136   -0.2092    0.25727  
 142  H6   H23  7.2162     0.6360    0.0175   -0.1810    0.21950  
 143  H6   H24  6.7449     0.2371    0.0121   -0.0980    0.09425  
 144  H6   H25  6.2745     0.2437    0.0109   -0.0966    0.09513  
 145  H7   H8   3.0731     0.1203    0.0051   -0.0221    0.02168  
 146  H7   H9   2.4929     0.2248   -0.0158    0.0242    0.01181  
 147  H7   H10  3.5702     0.2172   -0.0077   -0.0292    0.05013  
 148  H7   C12  2.1200     0.0990   -0.0009   -0.0085    0.01404  
 149  H7   C13  2.8038     0.1489   -0.0093   -0.0067    0.02396  
 150  H7   C14  4.5182     0.5899   -0.0118    0.0371    0.05171  
 151  H7   H15  5.5407     0.5320   -0.0055   -0.0863    0.14285  
 152  H7   H16  4.1514     0.7078   -0.0110   -0.0484    0.18003  
 153  H7   B17  3.9795     0.2511   -0.0072   -0.0308    0.05385  
 154  H7   C18  4.4610     0.5337   -0.0098   -0.0355    0.10918  
 155  H7   C19  6.2634     0.2402   -0.0060   -0.1396    0.15479  
 156  H7   H20  6.8145     0.3378   -0.0031   -0.1659    0.18570  
 157  H7   C21  6.7826     0.3771   -0.0018   -0.1793    0.20211  
 158  H7   H22  7.6580     0.4423    0.0009   -0.2290    0.25358  
 159  H7   H23  6.5709     0.5290    0.0047   -0.1655    0.20346  
 160  H7   H24  5.8209     0.3576   -0.0030   -0.0547    0.07971  
 161  H7   H25  5.2002     0.4135   -0.0050   -0.0400    0.07782  
 162  H8   H9   3.1006     0.1277    0.0081   -0.0283    0.02547  
 163  H8   H10  2.5521     0.1849    0.0089   -0.0045    0.00891  
 164  H8   C11  2.0877     0.0982    0.0051   -0.0071    0.00663  
 165  H8   C13  2.2069     0.1049    0.0055   -0.0055    0.00501  
 166  H8   C14  4.3129     0.5216    0.0032   -0.0188    0.07869  
 167  H8   H15  4.0055     0.3516    0.0029    0.0631   -0.03514  
 168  H8   H16  2.6316     0.5087   -0.0041    0.1323   -0.02989  
 169  H8   B17  3.0244     0.1793    0.0062   -0.0003    0.00465  
 170  H8   C18  3.2711     0.3786    0.0011    0.0569   -0.01424  
 171  H8   C19  4.7536     0.4904    0.0035   -0.0267    0.07379  
 172  H8   H20  5.0430     0.5405    0.0030   -0.0089    0.06376  
 173  H8   C21  5.1454     0.7739    0.0049   -0.0523    0.16383  
 174  H8   H22  5.7080     0.8969    0.0052   -0.0477    0.18350  
 175  H8   H23  5.2644     0.8895    0.0109   -0.0906    0.23006  
 176  H8   H24  5.2579     0.2104    0.0107   -0.0795    0.07725  
 177  H8   H25  4.8240     0.2608    0.0100   -0.0831    0.08722  
 178  H9   H10  1.7435     0.1269    0.0051   -0.0061    0.01024  
 179  H9   C11  2.6705     0.1499   -0.0029    0.0052    0.00610  
 180  H9   C12  2.1485     0.1074    0.0033   -0.0068    0.00888  
 181  H9   C14  3.7206     0.4288   -0.0038   -0.0225    0.07574  
 182  H9   H15  4.3382     0.2379    0.0063   -0.0691    0.07587  
 183  H9   H16  3.6803     0.3489   -0.0021   -0.0598    0.09492  
 184  H9   B17  2.1829     0.1329    0.0038   -0.0054    0.00967  
 185  H9   C18  3.4203     0.2825   -0.0005   -0.0438    0.06758  
 186  H9   C19  4.0646     0.2696    0.0090   -0.0512    0.06012  
 187  H9   H20  4.8148     0.2569    0.0115   -0.0842    0.08639  
 188  H9   C21  4.5405     0.4072    0.0144   -0.0617    0.08388  
 189  H9   H22  5.5243     0.4240    0.0170   -0.0971    0.11260  
 190  H9   H23  4.2633     0.5355    0.0215   -0.0357    0.08150  
 191  H9   H24  3.6893     0.2574    0.0101    0.0067    0.00116  
 192  H9   H25  2.7401     0.3719    0.0101    0.0528   -0.01237  
 193  H10  C11  3.2421     0.1390    0.0016   -0.0194    0.02374  
 194  H10  C12  2.1456     0.1080    0.0045   -0.0058    0.00674  
 195  H10  C14  4.4447     0.1886    0.0044   -0.0791    0.08271  
 196  H10  H15  4.1833     0.3006    0.0121   -0.0523    0.06187  
 197  H10  H16  3.6972     0.3198    0.0052   -0.0562    0.07873  
 198  H10  B17  2.1707     0.1353    0.0054   -0.0059    0.00888  
 199  H10  C18  3.5342     0.2236    0.0060   -0.0510    0.05916  
 200  H10  C19  3.2415     0.3034    0.0058    0.0626   -0.04001  
 201  H10  H20  4.0243     0.3893    0.0092    0.0060    0.02242  
 202  H10  C21  3.3544     0.4385    0.0084    0.1250   -0.07602  
 203  H10  H22  4.1871     0.4821    0.0114    0.1058   -0.06164  
 204  H10  H23  3.0939     0.5867    0.0112    0.1645   -0.06446  
 205  H10  H24  3.8520     0.1971    0.0091   -0.0148    0.01580  
 206  H10  H25  2.7137     0.3372    0.0037    0.0542   -0.01603  
 207  C11  C13  2.5284     0.0653   -0.0009   -0.0052    0.00782  
 208  C11  C14  4.4147     0.3357   -0.0044    0.0476   -0.01767  
 209  C11  H15  5.0693     0.3708    0.0001   -0.0330    0.06002  
 210  C11  H16  3.5396     0.4840   -0.0082    0.0338    0.04052  
 211  C11  B17  3.7034     0.1463    0.0016   -0.0220    0.02613  
 212  C11  C18  4.0467     0.3269   -0.0037    0.0106    0.01949  
 213  C11  C19  5.9328     0.2593    0.0024   -0.1118    0.12071  
 214  C11  H20  6.3903     0.3775    0.0039   -0.1250    0.14343  
 215  C11  C21  6.4238     0.4399    0.0058   -0.1458    0.17011  
 216  C11  H22  7.2000     0.5509    0.0075   -0.1805    0.21511  
 217  C11  H23  6.3179     0.5478    0.0123   -0.1449    0.18013  
 218  C11  H24  5.7869     0.2284    0.0070   -0.0691    0.07109  
 219  C11  H25  5.2368     0.2558    0.0059   -0.0611    0.06767  
 220  C12  C14  3.9225     0.2538   -0.0013    0.0157    0.00206  
 221  C12  H15  4.0981     0.1874    0.0015    0.0104   -0.00334  
 222  C12  H16  2.7564     0.2260   -0.0070    0.0821   -0.05654  
 223  C12  B17  2.6560     0.0773    0.0029   -0.0058    0.00516  
 224  C12  C18  3.1732     0.1335   -0.0023    0.0356   -0.02761  
 225  C12  C19  4.7045     0.3041    0.0027   -0.0558    0.07278  
 226  C12  H20  5.1494     0.3814    0.0036   -0.0599    0.08456  
 227  C12  C21  5.1643     0.5108    0.0055   -0.0760    0.12102  
 228  C12  H22  5.8978     0.6024    0.0069   -0.0907    0.14528  
 229  C12  H23  5.1429     0.6221    0.0120   -0.0872    0.15044  
 230  C12  H24  4.8550     0.1445    0.0085   -0.0604    0.05612  
 231  C12  H25  4.2968     0.1774    0.0077   -0.0526    0.05221  
 232  C13  C14  3.5125     0.1725   -0.0015   -0.0155    0.02553  
 233  C13  H15  3.6389     0.1232    0.0045   -0.0207    0.02033  
 234  C13  H16  2.9214     0.1616   -0.0026    0.0010    0.01061  
 235  C13  C18  2.7877     0.0740   -0.0012   -0.0045    0.00770  
 236  C13  C19  3.5065     0.1860    0.0036   -0.0169    0.02310  
 237  C13  H20  4.1446     0.2529    0.0059   -0.0375    0.04696  
 238  C13  C21  3.9912     0.3289    0.0075   -0.0163    0.03592  
 239  C13  H22  4.8741     0.3639    0.0099   -0.0333    0.05055  
 240  C13  H23  3.8963     0.4556    0.0141   -0.0107    0.04994  
 241  C13  H24  3.5731     0.1347    0.0077   -0.0242    0.02162  
 242  C13  H25  2.8051     0.1736    0.0064    0.0040    0.00035  
 243  C14  H15  2.1470     0.1077    0.0035   -0.0060    0.00796  
 244  C14  H16  2.1496     0.1068    0.0040   -0.0060    0.00724  
 245  C14  B17  2.4404     0.1232    0.0018   -0.0081    0.01255  
 246  C14  C19  4.3226     0.2208    0.0062   -0.0402    0.04535  
 247  C14  H20  4.2674     0.3469    0.0100   -0.0202    0.03838  
 248  C14  C21  5.5496     0.2175    0.0073   -0.0802    0.08144  
 249  C14  H22  6.3431     0.2780    0.0104   -0.0978    0.09958  
 250  C14  H23  5.9723     0.2453    0.0145   -0.1024    0.09794  
 251  C14  H24  3.0592     0.2740    0.0074    0.0173   -0.00020  
 252  C14  H25  4.0553     0.2388    0.0070   -0.0270    0.03404  
 253  H15  H16  1.7803     0.1229    0.0061   -0.0065    0.00893  
 254  H15  B17  2.2486     0.1149    0.0057   -0.0071    0.00726  
 255  H15  C19  3.1224     0.2827    0.0088    0.0132    0.00357  
 256  H15  H20  2.6602     0.3741    0.0091    0.0795   -0.03603  
 257  H15  C21  4.3240     0.3627    0.0088   -0.0315    0.05304  
 258  H15  H22  4.8446     0.4411    0.0108   -0.0292    0.05855  
 259  H15  H23  5.0518     0.3656    0.0159   -0.0713    0.08183  
 260  H15  H24  2.9121     0.2993    0.0090    0.0076    0.01420  
 261  H15  H25  3.9733     0.1834    0.0118   -0.0338    0.03043  
 262  H16  B17  2.2502     0.1113    0.0040   -0.0066    0.00813  
 263  H16  C19  4.1255     0.2224    0.0070   -0.0213    0.02637  
 264  H16  H20  3.9877     0.3238    0.0091    0.0018    0.01537  
 265  H16  C21  5.1128     0.3503    0.0069   -0.0507    0.06786  
 266  H16  H22  5.7096     0.4168    0.0091   -0.0563    0.07761  
 267  H16  H23  5.6101     0.4236    0.0129   -0.0780    0.09709  
 268  H16  H24  3.9639     0.1850    0.0107   -0.0270    0.02488  
 269  H16  H25  4.4855     0.1459    0.0090   -0.0376    0.03343  
 270  B17  C19  2.4819     0.1119    0.0011   -0.0071    0.01107  
 271  B17  H20  2.8932     0.1859    0.0045   -0.0073    0.01477  
 272  B17  C21  3.4290     0.2038    0.0037   -0.0216    0.02994  
 273  B17  H22  4.3074     0.2206    0.0068   -0.0322    0.03672  
 274  B17  H23  3.7002     0.2958    0.0110   -0.0328    0.04551  
 275  B17  H24  2.2442     0.1159    0.0048   -0.0068    0.00803  
 276  B17  H25  2.2517     0.1120    0.0042   -0.0065    0.00789  
 277  C18  C19  3.3580     0.1783    0.0050   -0.0102    0.01469  
 278  C18  H20  3.2405     0.2788    0.0075    0.0179   -0.00135  
 279  C18  C21  4.4959     0.2609    0.0058   -0.0438    0.05314  
 280  C18  H22  5.1790     0.3178    0.0085   -0.0510    0.06208  
 281  C18  H23  5.0205     0.3104    0.0126   -0.0702    0.07672  
 282  C18  H24  2.9063     0.1779    0.0071    0.0020    0.00177  
 283  C18  H25  3.6538     0.1154    0.0071   -0.0238    0.02029  
 284  C19  H22  2.1190     0.0971    0.0053   -0.0081    0.00727  
 285  C19  H23  2.1218     0.0970    0.0058   -0.0084    0.00700  
 286  C19  H24  2.1426     0.1076    0.0035   -0.0060    0.00788  
 287  C19  H25  2.1462     0.1065    0.0033   -0.0060    0.00801  
 288  H20  C21  2.0897     0.0970   -0.0005   -0.0066    0.01159  
 289  H20  H22  2.4274     0.1635    0.0008   -0.0076    0.01782  
 290  H20  H23  3.0748     0.1180    0.0057   -0.0210    0.01975  
 291  H20  H24  2.4824     0.1826    0.0074    0.0003    0.00569  
 292  H20  H25  3.0892     0.1269    0.0085   -0.0269    0.02366  
 293  C21  H24  3.3043     0.1305    0.0055   -0.0233    0.02298  
 294  C21  H25  2.6798     0.1535    0.0059    0.0040   -0.00111  
 295  H22  H23  1.8501     0.1186    0.0017   -0.0086    0.01456  
 296  H22  H24  4.1974     0.1554    0.0086   -0.0340    0.03114  
 297  H22  H25  3.7589     0.1652    0.0094   -0.0154    0.01331  
 298  H23  H24  3.6754     0.2020    0.0128   -0.0361    0.03445  
 299  H23  H25  2.5149     0.2311    0.0113    0.0229   -0.01296  
 300  H24  H25  1.7770     0.1234    0.0060   -0.0064    0.00897  
</ambor5>

<ambor6>
   1  H1   C25  1.0866     0.0753    0.0030    0.0000    0.00218  
   2  H2   C25  1.0883     0.0755    0.0035    0.0000    0.00179  
   3  H3   C4   1.0973     0.0770    0.0041    0.0000    0.00132  
   4  C4   B5   1.5903     0.0542    0.0011    0.0000    0.00074  
   5  C4   C22  1.5102     0.0509    0.0008    0.0000    0.00096  
   6  C4   H23  1.1045     0.0786    0.0039    0.0000    0.00174  
   7  B5   C13  1.5903     0.0542    0.0015    0.0000    0.00040  
   8  B5   C21  1.5904     0.0542    0.0013    0.0000    0.00052  
   9  H6   C8   1.0884     0.0758    0.0031    0.0000    0.00214  
  10  H7   C8   1.0866     0.0754    0.0033    0.0000    0.00195  
  11  C8   C10  1.3346     0.0411    0.0007    0.0000    0.00060  
  12  H9   C10  1.0903     0.0762    0.0037    0.0000    0.00166  
  13  C10  C13  1.5099     0.0515    0.0013    0.0000    0.00049  
  14  H11  C13  1.1048     0.0786    0.0039    0.0000    0.00169  
  15  H12  C13  1.0974     0.0771    0.0041    0.0000    0.00134  
  16  H14  C19  1.0866     0.0753    0.0031    0.0000    0.00209  
  17  H15  C19  1.0884     0.0756    0.0034    0.0000    0.00189  
  18  H16  C20  1.0903     0.0759    0.0035    0.0000    0.00176  
  19  H17  C21  1.0973     0.0770    0.0040    0.0000    0.00136  
  20  H18  C21  1.1041     0.0781    0.0039    0.0000    0.00159  
  21  C19  C20  1.3347     0.0410    0.0008    0.0000    0.00041  
  22  C20  C21  1.5107     0.0507    0.0014    0.0000    0.00030  
  23  C22  H24  1.0902     0.0759    0.0037    0.0000    0.00154  
  24  C22  C25  1.3346     0.0410    0.0009    0.0000    0.00038  
  25  H1   H2   1.8500     0.1187    0.0075   -0.0090    0.00916  
  26  H1   H3   3.7415     0.1615    0.0093   -0.0179    0.01556  
  27  H1   C4   3.5163     0.0975    0.0071   -0.0182    0.01386  
  28  H1   B5   4.4790     0.2611    0.0062   -0.0409    0.04985  
  29  H1   H6   6.4237     1.2924    0.0074   -0.0883    0.34095  
  30  H1   H7   5.6980     1.4449   -0.0041    0.0812    0.28930  
  31  H1   C8   5.6478     1.2585    0.0038   -0.0002    0.27689  
  32  H1   H9   4.4097     1.0545    0.0047    0.1218    0.12567  
  33  H1   C10  4.9881     0.9829    0.0068    0.0100    0.17685  
  34  H1   H11  5.9500     0.5327    0.0116   -0.1733    0.20939  
  35  H1   H12  6.2787     0.7170    0.0099   -0.1759    0.24787  
  36  H1   C13  5.4175     0.6214    0.0074   -0.1134    0.17726  
  37  H1   H14  5.5797     1.1629    0.0038    0.2003    0.03832  
  38  H1   H15  4.8129     1.0386    0.0083    0.2635   -0.04768  
  39  H1   H16  5.8232     0.8481    0.0049   -0.0157    0.13434  
  40  H1   H17  4.9481     0.5564    0.0103    0.0221    0.03012  
  41  H1   H18  6.1836     0.3052    0.0119   -0.1267    0.12985  
  42  H1   C19  5.0825     0.9248    0.0067    0.1974   -0.03583  
  43  H1   C20  5.2304     0.6443    0.0065    0.0716    0.00129  
  44  H1   C21  5.1193     0.3016    0.0081   -0.0052    0.01489  
  45  H1   C22  2.1172     0.0976    0.0053   -0.0082    0.00740  
  46  H1   H23  4.1534     0.1612    0.0087   -0.0352    0.03270  
  47  H1   H24  2.4288     0.1639    0.0016   -0.0073    0.01670  
  48  H2   H3   2.4781     0.2223   -0.0001    0.0245   -0.00444  
  49  H2   C4   2.7974     0.1451    0.0004   -0.0084    0.01561  
  50  H2   B5   3.9146     0.3040    0.0012   -0.0463    0.06871  
  51  H2   H6   5.7503     1.1214    0.0076   -0.0268    0.23787  
  52  H2   H7   4.8642     1.2529   -0.0055    0.1801    0.14814  
  53  H2   C8   4.8120     1.1145    0.0030    0.0771    0.17804  
  54  H2   H9   3.0985     0.9811    0.0003    0.2873    0.02301  
  55  H2   C10  3.9445     0.9065    0.0044    0.0944    0.10955  
  56  H2   H11  4.7717     0.5913    0.0049   -0.0958    0.16420  
  57  H2   H12  5.5040     0.6629    0.0072   -0.1304    0.20304  
  58  H2   C13  4.4899     0.6032    0.0031   -0.0646    0.14257  
  59  H2   H14  6.3363     1.0034    0.0087    0.0001    0.15007  
  60  H2   H15  5.7097     0.9074    0.0063    0.0126    0.12526  
  61  H2   H16  5.8465     0.7342    0.0033   -0.0696    0.15848  
  62  H2   H17  5.1470     0.3931    0.0078   -0.0585    0.08075  
  63  H2   H18  5.9884     0.2984    0.0069   -0.1543    0.16227  
  64  H2   C19  5.7445     0.8208    0.0074    0.0022    0.10764  
  65  H2   C20  5.4520     0.5793    0.0050   -0.0341    0.09061  
  66  H2   C21  5.0673     0.2838    0.0043   -0.0642    0.07581  
  67  H2   C22  2.1208     0.0972   -0.0002   -0.0081    0.01271  
  68  H2   H23  3.5904     0.2177    0.0025   -0.0352    0.04591  
  69  H2   H24  3.0749     0.1184    0.0022   -0.0206    0.02293  
  70  H3   B5   2.2578     0.1116    0.0043   -0.0068    0.00803  
  71  H3   H6   5.1301     0.3504    0.0140   -0.0317    0.04159  
  72  H3   H7   4.9190     0.4746    0.0003    0.0325    0.01298  
  73  H3   C8   4.3804     0.3808    0.0072    0.0223    0.00359  
  74  H3   H9   2.5697     0.4505    0.0003    0.1728   -0.09415  
  75  H3   C10  3.0938     0.3278    0.0071    0.0755   -0.04785  
  76  H3   H11  2.7514     0.3593    0.0068    0.0804   -0.04019  
  77  H3   H12  3.9058     0.1988    0.0096   -0.0161    0.01656  
  78  H3   C13  2.8411     0.1844    0.0060    0.0314   -0.02545  
  79  H3   H14  6.2416     0.5663    0.0119   -0.1369    0.17634  
  80  H3   H15  5.4741     0.5279    0.0016   -0.1088    0.15814  
  81  H3   H16  4.9915     0.3854    0.0078   -0.0952    0.11719  
  82  H3   H17  3.9059     0.1974    0.0105   -0.0391    0.03853  
  83  H3   H18  4.2935     0.2716    0.0083   -0.0740    0.08293  
  84  H3   C19  5.4018     0.4676    0.0081   -0.1107    0.14309  
  85  H3   C20  4.6298     0.3024    0.0077   -0.0857    0.09774  
  86  H3   C21  3.6881     0.1139    0.0069   -0.0433    0.03996  
  87  H3   C22  2.1468     0.1060    0.0036   -0.0084    0.01001  
  88  H3   H23  1.7699     0.1249    0.0058   -0.0074    0.01045  
  89  H3   H24  3.0985     0.1257    0.0085   -0.0300    0.02659  
  90  H3   C25  2.6588     0.1483    0.0061    0.0021    0.00009  
  91  C4   H6   5.0749     0.2716    0.0122   -0.0569    0.05917  
  92  C4   H7   5.1241     0.2939    0.0006   -0.0064    0.02263  
  93  C4   C8   4.4776     0.2303    0.0057   -0.0132    0.01932  
  94  C4   H9   3.0319     0.2721    0.0000    0.0881   -0.06367  
  95  C4   C10  3.2719     0.1662    0.0050    0.0253   -0.02181  
  96  C4   H11  2.9512     0.2230    0.0069    0.0136   -0.00368  
  97  C4   H12  3.6879     0.1132    0.0066   -0.0396    0.03653  
  98  C4   C13  2.7546     0.0803    0.0038   -0.0052    0.00377  
  99  C4   H14  5.3732     0.5016    0.0070   -0.0783    0.11811  
 100  C4   H15  4.4540     0.4905   -0.0040   -0.0347    0.09269  
 101  C4   H16  4.2885     0.3359    0.0056   -0.0716    0.09228  
 102  C4   H17  2.8434     0.1756    0.0067    0.0203   -0.01617  
 103  C4   H18  3.4746     0.2344    0.0061   -0.0439    0.05365  
 104  C4   C19  4.4623     0.4289    0.0035   -0.0521    0.08982  
 105  C4   C20  3.7574     0.2784    0.0043   -0.0461    0.06238  
 106  C4   C21  2.7548     0.0783    0.0037   -0.0051    0.00361  
 107  C4   H24  2.2163     0.1037    0.0053   -0.0071    0.00672  
 108  C4   C25  2.5275     0.0646    0.0038   -0.0052    0.00309  
 109  B5   H6   3.9266     0.2617    0.0120   -0.0379    0.04329  
 110  B5   H7   4.4886     0.2255    0.0032   -0.0366    0.04479  
 111  B5   C8   3.6129     0.1949    0.0051   -0.0263    0.03176  
 112  B5   H9   2.8920     0.2036   -0.0008   -0.0040    0.01919  
 113  B5   C10  2.5634     0.1322    0.0022   -0.0099    0.01449  
 114  B5   H11  2.1821     0.1364    0.0052   -0.0080    0.01135  
 115  B5   H12  2.2574     0.1121    0.0041   -0.0062    0.00769  
 116  B5   H14  4.4693     0.2212    0.0077   -0.0355    0.03868  
 117  B5   H15  3.9077     0.2655   -0.0053   -0.0366    0.05988  
 118  B5   H16  2.8847     0.2006    0.0047   -0.0052    0.01444  
 119  B5   H17  2.2579     0.1117    0.0050   -0.0065    0.00703  
 120  B5   H18  2.1896     0.1310    0.0041   -0.0079    0.01171  
 121  B5   C19  3.5948     0.1919    0.0021   -0.0248    0.03294  
 122  B5   C20  2.5522     0.1257    0.0025   -0.0090    0.01267  
 123  B5   C22  2.5586     0.1461    0.0009   -0.0109    0.01835  
 124  B5   H23  2.1848     0.1408    0.0048   -0.0087    0.01295  
 125  B5   H24  2.8904     0.2073    0.0039   -0.0026    0.01357  
 126  B5   C25  3.6031     0.2329    0.0035   -0.0317    0.04323  
 127  H6   H7   1.8499     0.1190    0.0075   -0.0094    0.00956  
 128  H6   H9   3.0748     0.1191    0.0085   -0.0205    0.01665  
 129  H6   C10  2.1209     0.0975    0.0052   -0.0081    0.00738  
 130  H6   H11  3.5854     0.2102    0.0124   -0.0319    0.03183  
 131  H6   H12  2.4772     0.2215    0.0134    0.0210   -0.01455  
 132  H6   C13  2.7976     0.1461    0.0111   -0.0085    0.00496  
 133  H6   H14  4.9513     0.9858    0.0121    0.1902   -0.00600  
 134  H6   H15  5.8287     0.8459    0.0086   -0.0077    0.12190  
 135  H6   H16  3.1347     0.8928   -0.0012    0.2810   -0.02556  
 136  H6   H17  5.5389     0.5205    0.0125   -0.1019    0.13829  
 137  H6   H18  4.7504     0.6556    0.0105   -0.0868    0.16680  
 138  H6   C19  4.8876     0.8586    0.0072    0.0958    0.04787  
 139  H6   C20  3.9934     0.7390    0.0043    0.1082    0.02422  
 140  H6   C21  4.5114     0.5158    0.0086   -0.0463    0.09670  
 141  H6   C22  5.5060     0.7071    0.0077   -0.0707    0.15386  
 142  H6   H23  5.9883     0.2840    0.0171   -0.1625    0.15893  
 143  H6   H24  5.9205     0.8255    0.0077   -0.1208    0.22822  
 144  H6   C25  5.8080     1.0555    0.0080   -0.0573    0.24111  
 145  H7   H9   2.4280     0.1638   -0.0015   -0.0072    0.01976  
 146  H7   C10  2.1172     0.0979   -0.0007   -0.0077    0.01295  
 147  H7   H11  4.1509     0.1599    0.0039   -0.0330    0.03529  
 148  H7   H12  3.7410     0.1624    0.0110   -0.0177    0.01377  
 149  H7   C13  3.5161     0.0991    0.0041   -0.0176    0.01622  
 150  H7   H14  5.7367     1.2692    0.0147    0.0842    0.18188  
 151  H7   H15  6.4774     1.0403    0.0094   -0.0411    0.19872  
 152  H7   H16  4.4069     1.0900    0.0011    0.0564    0.21214  
 153  H7   H17  6.3166     0.5550    0.0074   -0.1318    0.17317  
 154  H7   H18  5.9350     0.5871    0.0073   -0.1746    0.22534  
 155  H7   C19  5.6883     1.0731    0.0086    0.0200    0.17384  
 156  H7   C20  5.0089     0.9022    0.0041    0.0010    0.15740  
 157  H7   C21  5.4359     0.5447    0.0041   -0.0967    0.14726  
 158  H7   C22  5.2972     0.7646   -0.0037    0.0267    0.08740  
 159  H7   H23  6.1808     0.2958    0.0053   -0.1312    0.14000  
 160  H7   H24  5.9151     0.9083   -0.0021   -0.0621    0.20374  
 161  H7   C25  5.1658     1.1614   -0.0041    0.1089    0.15631  
 162  C8   H9   2.0898     0.0972    0.0041   -0.0063    0.00667  
 163  C8   H11  3.2464     0.1370    0.0058   -0.0216    0.02155  
 164  C8   H12  2.6581     0.1488    0.0083    0.0015   -0.00154  
 165  C8   C13  2.5274     0.0661    0.0046   -0.0048    0.00190  
 166  C8   H14  5.2132     0.9720    0.0108    0.1096    0.06087  
 167  C8   H15  5.8611     0.8243    0.0058   -0.0266    0.13672  
 168  C8   H16  3.5513     0.9067   -0.0036    0.1185    0.11666  
 169  C8   H17  5.4648     0.4615    0.0075   -0.1048    0.13624  
 170  C8   H18  4.9219     0.5401    0.0052   -0.1253    0.17943  
 171  C8   C19  5.0426     0.8438    0.0051    0.0439    0.09219  
 172  C8   C20  4.1883     0.7365    0.0010    0.0373    0.09119  
 173  C8   C21  4.5174     0.4667    0.0032   -0.0676    0.11263  
 174  C8   C22  4.8573     0.6794    0.0020   -0.0119    0.10488  
 175  C8   H23  5.4732     0.2424    0.0102   -0.1236    0.12413  
 176  C8   H24  5.4237     0.7942    0.0027   -0.0802    0.19384  
 177  C8   C25  4.9971     1.0341    0.0036    0.0283    0.18216  
 178  H9   H11  2.5288     0.1841    0.0009   -0.0056    0.01806  
 179  H9   H12  3.0991     0.1257    0.0059   -0.0286    0.02776  
 180  H9   C13  2.2166     0.1038    0.0005   -0.0074    0.01174  
 181  H9   H14  5.8960     0.9368    0.0097   -0.0803    0.21946  
 182  H9   H15  5.9147     0.7953    0.0020   -0.0918    0.19675  
 183  H9   H16  4.3893     0.7869   -0.0019   -0.0800    0.22298  
 184  H9   H17  5.0246     0.3661    0.0046   -0.0876    0.10972  
 185  H9   H18  4.8820     0.2934    0.0016   -0.1439    0.15994  
 186  H9   C19  5.4117     0.8022    0.0041   -0.0806    0.19544  
 187  H9   C20  4.5642     0.6584    0.0004   -0.0805    0.17509  
 188  H9   C21  4.3170     0.3524   -0.0001   -0.0839    0.11274  
 189  H9   C22  3.5335     0.6378   -0.0015    0.0835    0.03317  
 190  H9   H23  4.0523     0.3335    0.0040   -0.0167    0.04016  
 191  H9   H24  4.4066     0.7082    0.0011   -0.0167    0.12944  
 192  H9   C25  3.5415     0.9159    0.0025    0.1674    0.06698  
 193  C10  H11  2.1367     0.1096    0.0036   -0.0074    0.00937  
 194  C10  H12  2.1466     0.1064    0.0046   -0.0081    0.00880  
 195  C10  H14  5.3089     0.7003    0.0082    0.0116    0.07255  
 196  C10  H15  5.5240     0.6083    0.0012   -0.0532    0.11903  
 197  C10  H16  3.5335     0.6618   -0.0049    0.0312    0.09764  
 198  C10  H17  4.6666     0.2950    0.0057   -0.0787    0.09170  
 199  C10  H18  4.2297     0.3272    0.0016   -0.1017    0.12532  
 200  C10  C19  4.8708     0.6081    0.0025   -0.0128    0.08618  
 201  C10  C20  3.8949     0.5269   -0.0013   -0.0091    0.08165  
 202  C10  C21  3.7909     0.3052    0.0003   -0.0582    0.08242  
 203  C10  C22  3.8864     0.5543    0.0023    0.0055    0.07124  
 204  C10  H23  4.2430     0.2378    0.0092   -0.0702    0.07438  
 205  C10  H24  4.5735     0.6276    0.0037   -0.0600    0.14248  
 206  C10  C25  4.1610     0.8377    0.0056    0.0396    0.12346  
 207  H11  H12  1.7695     0.1259    0.0057   -0.0075    0.01075  
 208  H11  H14  6.1928     0.3141    0.0124   -0.1624    0.16601  
 209  H11  H15  5.9828     0.2933   -0.0004   -0.1616    0.17640  
 210  H11  H16  4.0788     0.3701    0.0033   -0.0726    0.10280  
 211  H11  H17  4.2620     0.2806    0.0089   -0.0651    0.07468  
 212  H11  H18  3.4480     0.4393    0.0027   -0.0193    0.07256  
 213  H11  C19  5.4782     0.2635    0.0056   -0.1414    0.14849  
 214  H11  C20  4.2537     0.2674    0.0039   -0.0962    0.10911  
 215  H11  C21  3.4494     0.2710    0.0038   -0.0525    0.06999  
 216  H11  C22  4.2416     0.2911    0.0061   -0.0939    0.10772  
 217  H11  H23  3.4561     0.4743    0.0106   -0.0155    0.06996  
 218  H11  H24  4.8877     0.2824    0.0099   -0.1307    0.13706  
 219  H11  C25  4.9385     0.4810    0.0091   -0.1252    0.16297  
 220  H12  H14  4.9656     0.5578    0.0076    0.0038    0.05127  
 221  H12  H15  5.1570     0.4021   -0.0046   -0.0578    0.09369  
 222  H12  H16  2.6173     0.5405   -0.0035    0.1550   -0.03990  
 223  H12  H17  3.9000     0.1932    0.0028   -0.0234    0.03020  
 224  H12  H18  2.7231     0.3325   -0.0037    0.0900   -0.04564  
 225  H12  C19  4.4164     0.4518   -0.0002   -0.0031    0.04958  
 226  H12  C20  3.1255     0.3953   -0.0029    0.0583   -0.00545  
 227  H12  C21  2.8391     0.1803   -0.0021    0.0287   -0.01522  
 228  H12  C22  4.6489     0.3679    0.0050   -0.1070    0.13112  
 229  H12  H23  4.2779     0.3272    0.0096   -0.0946    0.11001  
 230  H12  H24  5.0095     0.4252    0.0060   -0.1253    0.15534  
 231  H12  C25  5.4325     0.5983    0.0084   -0.1403    0.19780  
 232  C13  H14  5.1392     0.2923    0.0083   -0.0262    0.03452  
 233  C13  H15  5.0813     0.2733   -0.0035   -0.0647    0.08286  
 234  C13  H16  3.0512     0.2718   -0.0013    0.0612   -0.03571  
 235  C13  H17  3.6858     0.1116    0.0044   -0.0330    0.03196  
 236  C13  H18  2.9387     0.1947   -0.0001    0.0112    0.00177  
 237  C13  C19  4.4888     0.2322    0.0014   -0.0272    0.03788  
 238  C13  C20  3.2841     0.1702   -0.0009    0.0100   -0.00036  
 239  C13  C21  2.7541     0.0788   -0.0007   -0.0050    0.00801  
 240  C13  C22  3.7828     0.3328    0.0022   -0.0667    0.09379  
 241  C13  H23  3.4557     0.2919    0.0078   -0.0604    0.07729  
 242  C13  H24  4.3127     0.3681    0.0046   -0.0928    0.11960  
 243  C13  C25  4.5001     0.5364    0.0054   -0.0833    0.14186  
 244  H14  H15  1.8499     0.1187    0.0075   -0.0092    0.00932  
 245  H14  H16  2.4278     0.1636    0.0101   -0.0075    0.00840  
 246  H14  H17  3.7423     0.1619    0.0013   -0.0169    0.02263  
 247  H14  H18  4.1545     0.1579    0.0085   -0.0324    0.02986  
 248  H14  C20  2.1172     0.0974    0.0059   -0.0079    0.00647  
 249  H14  C21  3.5171     0.0971    0.0047   -0.0178    0.01578  
 250  H14  C22  4.9055     0.8082    0.0047    0.0786    0.04987  
 251  H14  H23  5.9003     0.5364    0.0078   -0.1433    0.18432  
 252  H14  H24  4.3153     0.9954   -0.0009    0.1809    0.04965  
 253  H14  C25  5.5494     0.9885    0.0047    0.0984    0.07297  
 254  H15  H16  3.0749     0.1184    0.0050   -0.0206    0.02017  
 255  H15  H17  2.4797     0.2217   -0.0152    0.0222    0.01280  
 256  H15  H18  3.5929     0.2076   -0.0066   -0.0318    0.05040  
 257  H15  C20  2.1211     0.0973   -0.0009   -0.0082    0.01353  
 258  H15  C21  2.7991     0.1452   -0.0091   -0.0089    0.02554  
 259  H15  C22  3.8946     0.7302    0.0006    0.1665   -0.03012  
 260  H15  H23  4.7178     0.6145   -0.0063   -0.0595    0.14586  
 261  H15  H24  3.0356     0.8697   -0.0038    0.3981   -0.14515  
 262  H15  C25  4.7646     0.8996    0.0041    0.1440    0.02175  
 263  H16  H17  3.0987     0.1254    0.0083   -0.0281    0.02491  
 264  H16  H18  2.5252     0.1848    0.0087   -0.0042    0.00909  
 265  H16  C19  2.0899     0.0971    0.0049   -0.0064    0.00597  
 266  H16  C21  2.2169     0.1033    0.0055   -0.0071    0.00641  
 267  H16  C22  4.5136     0.5934    0.0042   -0.0300    0.10382  
 268  H16  H23  4.8732     0.2856    0.0101   -0.1221    0.12877  
 269  H16  H24  4.3445     0.7411    0.0047   -0.0031    0.12480  
 270  H16  C25  5.3452     0.7224    0.0037   -0.0343    0.12819  
 271  H17  H18  1.7711     0.1248    0.0057   -0.0069    0.00999  
 272  H17  C19  2.6596     0.1485   -0.0024    0.0025    0.00823  
 273  H17  C20  2.1468     0.1061    0.0036   -0.0072    0.00889  
 274  H17  C22  3.1151     0.3812    0.0076    0.0726   -0.03360  
 275  H17  H23  2.7395     0.3712    0.0070    0.0877   -0.04445  
 276  H17  H24  2.6003     0.5409    0.0080    0.1911   -0.08661  
 277  H17  C25  4.4033     0.4429    0.0081    0.0067    0.02976  
 278  H18  C19  3.2511     0.1349    0.0023   -0.0210    0.02425  
 279  H18  C20  2.1371     0.1091    0.0046   -0.0065    0.00748  
 280  H18  C22  4.2562     0.2320    0.0078   -0.0625    0.06735  
 281  H18  H23  3.4893     0.3818    0.0081    0.0076    0.02608  
 282  H18  H24  4.0701     0.3554    0.0103   -0.0154    0.03611  
 283  H18  C25  5.4774     0.2490    0.0090   -0.1169    0.11924  
 284  C19  C21  2.5286     0.0642   -0.0007   -0.0050    0.00738  
 285  C19  C22  4.0954     0.6737    0.0042    0.1046    0.00205  
 286  C19  H23  4.8929     0.4968    0.0043   -0.0961    0.14224  
 287  C19  H24  3.4646     0.8420    0.0006    0.2355   -0.03149  
 288  C19  C25  4.9248     0.8047    0.0052    0.1043    0.02198  
 289  C20  C22  3.8364     0.4738    0.0043    0.0420    0.01217  
 290  C20  H23  4.2175     0.3093    0.0072   -0.0781    0.09351  
 291  C20  H24  3.4793     0.6260    0.0039    0.1154   -0.00663  
 292  C20  C25  4.7983     0.5571    0.0048    0.0302    0.02970  
 293  C21  C22  3.2708     0.1748    0.0045    0.0301   -0.02522  
 294  C21  H23  2.9508     0.2133    0.0062    0.0210   -0.01185  
 295  C21  H24  3.0342     0.2918    0.0061    0.1007   -0.07882  
 296  C21  C25  4.4724     0.2396    0.0055   -0.0144    0.02175  
 297  C22  H23  2.1369     0.1092    0.0037   -0.0070    0.00890  
 298  H23  H24  2.5252     0.1875    0.0076   -0.0033    0.00964  
 299  H23  C25  3.2496     0.1409    0.0056   -0.0239    0.02439  
 300  H24  C25  2.0902     0.0971    0.0002   -0.0063    0.01061  
</ambor6>

<ambor7>
   1  H1   C2   1.0917     0.0761    0.0035    0.0000    0.00183  
   2  C2   C3   1.3347     0.0410    0.0006    0.0000    0.00068  
   3  C2   C9   1.5019     0.0497    0.0014    0.0000    0.00029  
   4  C3   H4   1.0887     0.0756    0.0034    0.0000    0.00185  
   5  C3   H5   1.0866     0.0752    0.0034    0.0000    0.00180  
   6  C6   C12  1.3348     0.0409    0.0004    0.0000    0.00090  
   7  C6   H21  1.0887     0.0757    0.0034    0.0000    0.00182  
   8  C6   H22  1.0867     0.0753    0.0034    0.0000    0.00186  
   9  H7   C12  1.0918     0.0762    0.0037    0.0000    0.00161  
  10  C8   B11  1.5886     0.0543    0.0010    0.0000    0.00088  
  11  C8   C12  1.5018     0.0496    0.0012    0.0000    0.00044  
  12  C8   H18  1.1018     0.0777    0.0040    0.0000    0.00147  
  13  C8   H19  1.1057     0.0784    0.0038    0.0000    0.00179  
  14  C9   B11  1.5880     0.0542    0.0014    0.0000    0.00043  
  15  C9   H16  1.1062     0.0784    0.0039    0.0000    0.00163  
  16  C9   H17  1.1015     0.0776    0.0039    0.0000    0.00158  
  17  C10  B11  1.5881     0.0542    0.0014    0.0000    0.00045  
  18  C10  C13  1.5019     0.0497    0.0008    0.0000    0.00087  
  19  C10  H14  1.1012     0.0778    0.0039    0.0000    0.00156  
  20  C10  H15  1.1065     0.0788    0.0038    0.0000    0.00184  
  21  C13  C20  1.3347     0.0410    0.0006    0.0000    0.00065  
  22  C13  H23  1.0917     0.0766    0.0037    0.0000    0.00164  
  23  C20  H24  1.0868     0.0753    0.0033    0.0000    0.00187  
  24  C20  H25  1.0887     0.0760    0.0035    0.0000    0.00181  
  25  H1   C3   2.0874     0.0974    0.0042   -0.0071    0.00737  
  26  H1   H4   3.0726     0.1186    0.0086   -0.0217    0.01769  
  27  H1   H5   2.4268     0.1632    0.0093   -0.0073    0.00894  
  28  H1   C6   6.1931     0.3317    0.0100   -0.1085    0.11636  
  29  H1   H7   5.0994     0.3965    0.0084   -0.0053    0.02769  
  30  H1   C8   4.5441     0.1759    0.0091   -0.0463    0.04403  
  31  H1   C9   2.2108     0.1034    0.0058   -0.0060    0.00511  
  32  H1   C10  3.0990     0.3285    0.0002    0.0473   -0.01273  
  33  H1   B11  3.0323     0.1803    0.0068   -0.0049    0.00880  
  34  H1   C12  5.1900     0.2186    0.0105   -0.0521    0.05077  
  35  H1   C13  4.5694     0.3449   -0.0001   -0.0160    0.04207  
  36  H1   H14  2.9487     0.5861   -0.0008    0.0586    0.05872  
  37  H1   H15  2.6523     0.4808   -0.0046    0.1761   -0.08439  
  38  H1   H16  2.5507     0.1853    0.0086   -0.0032    0.00810  
  39  H1   H17  3.1049     0.1262    0.0083   -0.0277    0.02455  
  40  H1   H18  5.2006     0.2558    0.0089   -0.0971    0.10084  
  41  H1   H19  4.9228     0.3632    0.0140   -0.0513    0.06412  
  42  H1   C20  5.4907     0.4399    0.0028   -0.0467    0.07917  
  43  H1   H21  6.6073     0.4740    0.0144   -0.1580    0.17760  
  44  H1   H22  6.8381     0.3854    0.0131   -0.1126    0.12116  
  45  H1   H23  5.0971     0.4139    0.0050   -0.0381    0.06671  
  46  H1   H24  6.5289     0.4223    0.0059   -0.0808    0.10217  
  47  H1   H25  5.4305     0.6170    0.0101   -0.0477    0.10768  
  48  C2   H4   2.1194     0.0977    0.0051   -0.0087    0.00815  
  49  C2   H5   2.1195     0.0964    0.0059   -0.0079    0.00636  
  50  C2   C6   5.4416     0.3451    0.0053   -0.0458    0.06239  
  51  C2   H7   4.5993     0.3597    0.0056    0.0063    0.01624  
  52  C2   C8   4.1035     0.0829    0.0046   -0.0336    0.03067  
  53  C2   C10  3.0939     0.1366   -0.0008    0.0220   -0.01510  
  54  C2   B11  2.6519     0.0761    0.0031   -0.0059    0.00503  
  55  C2   C12  4.5917     0.1509    0.0061   -0.0180    0.01685  
  56  C2   C13  4.5897     0.1524    0.0002   -0.0354    0.04024  
  57  C2   H14  2.8409     0.3248   -0.0021    0.0920   -0.05277  
  58  C2   H15  3.0297     0.3818   -0.0032    0.0582   -0.00684  
  59  C2   H16  2.1477     0.1082    0.0045   -0.0060    0.00695  
  60  C2   H17  2.1534     0.1064    0.0035   -0.0060    0.00779  
  61  C2   H18  4.7004     0.2608    0.0041   -0.0703    0.08068  
  62  C2   H19  4.7054     0.2527    0.0100   -0.0712    0.07474  
  63  C2   C20  5.4316     0.2696    0.0039   -0.0386    0.04801  
  64  C2   H21  5.8131     0.5453    0.0088   -0.0872    0.12958  
  65  C2   H22  6.0545     0.3739    0.0087   -0.0412    0.05553  
  66  C2   H23  5.2008     0.2238    0.0053   -0.0751    0.07939  
  67  C2   H24  6.4929     0.2643    0.0074   -0.0772    0.08056  
  68  C2   H25  5.2874     0.4372    0.0111   -0.0100    0.03501  
  69  C3   C6   6.0684     0.4711    0.0009   -0.0209    0.05652  
  70  C3   H7   5.5454     0.4553    0.0039   -0.0290    0.06248  
  71  C3   C8   5.0692     0.1599    0.0015   -0.0468    0.05031  
  72  C3   C9   2.5239     0.0648   -0.0009   -0.0050    0.00756  
  73  C3   C10  4.0301     0.2899    0.0001   -0.0057    0.02650  
  74  C3   B11  3.6843     0.1397    0.0016   -0.0201    0.02378  
  75  C3   C12  5.4480     0.2513    0.0025   -0.0235    0.03262  
  76  C3   C13  5.4640     0.3259    0.0008   -0.0642    0.08284  
  77  C3   H14  3.4592     0.4317   -0.0023    0.1142   -0.05809  
  78  C3   H15  4.1082     0.5222   -0.0011   -0.0164    0.08388  
  79  C3   H16  3.2508     0.1368    0.0022   -0.0207    0.02424  
  80  C3   H17  2.6742     0.1497   -0.0022    0.0051    0.00548  
  81  C3   H18  5.5046     0.3912   -0.0004   -0.0673    0.09548  
  82  C3   H19  5.8136     0.2228    0.0075   -0.1127    0.11377  
  83  C3   C20  6.0788     0.4813    0.0051   -0.0398    0.07275  
  84  C3   H21  6.3230     0.7092    0.0026   -0.0480    0.12502  
  85  C3   H22  6.6121     0.5154    0.0042   -0.0138    0.04972  
  86  C3   H23  6.2218     0.3075    0.0059   -0.1317    0.14093  
  87  C3   H24  7.1617     0.4939    0.0085   -0.0887    0.11426  
  88  C3   H25  5.7066     0.6435    0.0115    0.0270    0.03412  
  89  H4   H5   1.8496     0.1187    0.0017   -0.0083    0.01430  
  90  H4   C6   5.7049     0.6163   -0.0009    0.0388    0.02862  
  91  H4   H7   5.5088     0.6144    0.0049   -0.0406    0.10425  
  92  H4   C8   5.1253     0.2870    0.0013   -0.0434    0.05819  
  93  H4   C9   2.7958     0.1468    0.0013   -0.0085    0.01498  
  94  H4   C10  4.5109     0.4447    0.0032   -0.0464    0.08705  
  95  H4   B11  3.9512     0.2471    0.0030   -0.0306    0.04308  
  96  H4   C12  5.3163     0.4062    0.0017   -0.0031    0.03248  
  97  H4   C13  5.8560     0.5090    0.0042   -0.0984    0.13842  
  98  H4   H14  3.9185     0.6068    0.0009    0.0703    0.02277  
  99  H4   H15  4.8099     0.5706    0.0031   -0.0882    0.15282  
 100  H4   H16  3.5804     0.2135    0.0036   -0.0323    0.04146  
 101  H4   H17  2.4949     0.2247   -0.0032    0.0257   -0.00234  
 102  H4   H18  5.4536     0.5306   -0.0015   -0.0502    0.10330  
 103  H4   H19  6.0147     0.2847    0.0074   -0.1360    0.14208  
 104  H4   C20  6.3657     0.6864    0.0087   -0.0594    0.12468  
 105  H4   H21  5.8797     0.8548   -0.0010    0.0272    0.09811  
 106  H4   H22  6.1738     0.6877    0.0022    0.0523    0.02206  
 107  H4   H23  6.6447     0.4440    0.0090   -0.1735    0.19416  
 108  H4   H24  7.4247     0.7121    0.0121   -0.1084    0.16455  
 109  H4   H25  5.9270     0.8309    0.0145    0.0232    0.07882  
 110  H5   C6   7.1522     0.4781    0.0046   -0.0646    0.09193  
 111  H5   H7   6.5767     0.4372    0.0091   -0.0573    0.07719  
 112  H5   C8   6.0499     0.1713    0.0072   -0.0706    0.06826  
 113  H5   C9   3.5125     0.0968    0.0048   -0.0179    0.01577  
 114  H5   C10  4.6645     0.3066    0.0059    0.0003    0.01404  
 115  H5   B11  4.5866     0.1584    0.0076   -0.0322    0.03006  
 116  H5   C12  6.5070     0.2463    0.0075   -0.0579    0.05968  
 117  H5   C13  6.0715     0.3575    0.0056   -0.0663    0.08172  
 118  H5   H14  3.9778     0.4573    0.0020    0.1325   -0.08187  
 119  H5   H15  4.5967     0.5863    0.0052    0.0041    0.06550  
 120  H5   H16  4.1600     0.1581    0.0084   -0.0318    0.02936  
 121  H5   H17  3.7567     0.1630    0.0018   -0.0146    0.01994  
 122  H5   H18  6.4636     0.3953    0.0043   -0.0923    0.11215  
 123  H5   H19  6.7306     0.2489    0.0140   -0.1309    0.12609  
 124  H5   C20  6.6091     0.5378    0.0085   -0.0406    0.07582  
 125  H5   H21  7.3862     0.7223    0.0056   -0.0916    0.15659  
 126  H5   H22  7.6964     0.5276    0.0074   -0.0622    0.09104  
 127  H5   H23  6.8686     0.3605    0.0114   -0.1433    0.15085  
 128  H5   H24  7.6940     0.5538    0.0118   -0.0956    0.12365  
 129  H5   H25  6.1536     0.7375    0.0133    0.0326    0.04251  
 130  C6   H7   2.0876     0.0975    0.0043   -0.0075    0.00781  
 131  C6   C8   2.5241     0.0653    0.0039   -0.0049    0.00275  
 132  C6   C9   4.0006     0.3198    0.0040    0.0007    0.02084  
 133  C6   C10  5.0784     0.1545    0.0079   -0.0511    0.04784  
 134  C6   B11  3.6780     0.1419    0.0041   -0.0199    0.02125  
 135  C6   C13  5.4623     0.2639    0.0129   -0.0279    0.02766  
 136  C6   H14  5.5539     0.3782    0.0083   -0.0724    0.08984  
 137  C6   H15  5.7899     0.2362    0.0100   -0.1191    0.11872  
 138  C6   H16  4.0497     0.5240    0.0029   -0.0151    0.08006  
 139  C6   H17  3.4352     0.4521    0.0028    0.1103   -0.05365  
 140  C6   H18  2.6738     0.1501    0.0075    0.0048   -0.00382  
 141  C6   H19  3.2545     0.1367    0.0055   -0.0208    0.02111  
 142  C6   C20  6.1371     0.4952    0.0154   -0.0307    0.05516  
 143  C6   H23  5.5075     0.4625    0.0159   -0.0275    0.05045  
 144  C6   H24  6.6741     0.5469    0.0196   -0.0237    0.04891  
 145  C6   H25  6.4349     0.7251    0.0190   -0.0599    0.12254  
 146  H7   C8   2.2106     0.1037    0.0005   -0.0056    0.00993  
 147  H7   C9   3.1329     0.3513    0.0043    0.0572   -0.02211  
 148  H7   C10  4.5382     0.1807    0.0001   -0.0518    0.05887  
 149  H7   B11  3.0412     0.1804   -0.0005   -0.0043    0.01556  
 150  H7   C13  5.1843     0.2355    0.0019   -0.0605    0.06937  
 151  H7   H14  5.2241     0.2478    0.0032   -0.1056    0.11417  
 152  H7   H15  4.8749     0.3894    0.0010   -0.0518    0.08188  
 153  H7   H16  2.6585     0.4567    0.0021    0.1916   -0.11516  
 154  H7   H17  3.0254     0.5995    0.0078    0.0500    0.06103  
 155  H7   H18  3.1038     0.1266    0.0059   -0.0272    0.02647  
 156  H7   H19  2.5472     0.1849    0.0013   -0.0030    0.01510  
 157  H7   C20  6.2256     0.3407    0.0042   -0.1240    0.13839  
 158  H7   H21  3.0727     0.1188    0.0088   -0.0224    0.01820  
 159  H7   H22  2.4274     0.1631    0.0087   -0.0069    0.00918  
 160  H7   H23  5.0523     0.4176    0.0035   -0.0065    0.03749  
 161  H7   H24  6.8645     0.3981    0.0071   -0.1286    0.14465  
 162  H7   H25  6.6702     0.4745    0.0114   -0.1758    0.19809  
 163  C8   C9   2.7510     0.0746    0.0036   -0.0052    0.00358  
 164  C8   C10  2.7513     0.0743    0.0034   -0.0051    0.00373  
 165  C8   C13  3.0962     0.1403    0.0053    0.0310   -0.02992  
 166  C8   H14  3.5002     0.2295    0.0044   -0.0485    0.05917  
 167  C8   H15  3.4106     0.2601    0.0081   -0.0449    0.05657  
 168  C8   H16  2.9641     0.1921    0.0063    0.0085   -0.00232  
 169  C8   H17  2.9130     0.1834    0.0048    0.0142   -0.00746  
 170  C8   C20  4.0385     0.3234    0.0050   -0.0019    0.02277  
 171  C8   H21  2.7959     0.1482    0.0101   -0.0080    0.00571  
 172  C8   H22  3.5129     0.0970    0.0076   -0.0180    0.01300  
 173  C8   H23  3.0952     0.3524    0.0093    0.0660   -0.03520  
 174  C8   H24  4.6720     0.3352    0.0083    0.0093    0.00643  
 175  C8   H25  4.5234     0.4960    0.0098   -0.0501    0.09470  
 176  C9   C10  2.7504     0.0745   -0.0004   -0.0051    0.00753  
 177  C9   C12  3.0937     0.1394    0.0048    0.0297   -0.02823  
 178  C9   C13  4.1032     0.0856    0.0017   -0.0391    0.03921  
 179  C9   H14  2.9129     0.1862   -0.0002    0.0214   -0.00935  
 180  C9   H15  2.9631     0.2038   -0.0006    0.0128    0.00178  
 181  C9   H18  3.4743     0.2367    0.0041   -0.0479    0.05992  
 182  C9   H19  3.4393     0.2478    0.0091   -0.0465    0.05522  
 183  C9   C20  5.0691     0.1609    0.0051   -0.0505    0.05049  
 184  C9   H21  4.4607     0.4951    0.0080   -0.0466    0.09354  
 185  C9   H22  4.6410     0.3306    0.0076    0.0114    0.00458  
 186  C9   H23  4.5440     0.1767    0.0066   -0.0541    0.05439  
 187  C9   H24  6.0498     0.1742    0.0087   -0.0766    0.07284  
 188  C9   H25  5.1257     0.2844    0.0122   -0.0417    0.04525  
 189  C10  C12  4.1048     0.0838    0.0041   -0.0379    0.03553  
 190  C10  H16  3.4155     0.2359    0.0031   -0.0391    0.05227  
 191  C10  H17  3.4951     0.2103    0.0040   -0.0418    0.05054  
 192  C10  H18  2.9299     0.1924    0.0053    0.0168   -0.00951  
 193  C10  H19  2.9460     0.1913    0.0046    0.0155   -0.00761  
 194  C10  C20  2.5234     0.0647    0.0037   -0.0047    0.00259  
 195  C10  H21  5.1409     0.2823    0.0156   -0.0452    0.04515  
 196  C10  H22  6.0583     0.1665    0.0110   -0.0765    0.07013  
 197  C10  H23  2.2114     0.1044    0.0055   -0.0049    0.00433  
 198  C10  H24  3.5123     0.0968    0.0073   -0.0178    0.01319  
 199  C10  H25  2.7954     0.1471    0.0109   -0.0071    0.00396  
 200  B11  C12  2.6526     0.0759    0.0019   -0.0061    0.00638  
 201  B11  C13  2.6525     0.0763    0.0024   -0.0063    0.00604  
 202  B11  H14  2.1885     0.1296    0.0035   -0.0068    0.01097  
 203  B11  H15  2.1667     0.1352    0.0046   -0.0068    0.01055  
 204  B11  H16  2.1698     0.1315    0.0043   -0.0073    0.01097  
 205  B11  H17  2.1860     0.1267    0.0044   -0.0072    0.01012  
 206  B11  H18  2.1823     0.1294    0.0030   -0.0074    0.01210  
 207  B11  H19  2.1740     0.1344    0.0048   -0.0076    0.01108  
 208  B11  C20  3.6872     0.1445    0.0048   -0.0205    0.02141  
 209  B11  H21  3.9389     0.2482    0.0105   -0.0298    0.03497  
 210  B11  H22  4.5826     0.1605    0.0076   -0.0319    0.02986  
 211  B11  H23  3.0310     0.1824    0.0067   -0.0027    0.00702  
 212  B11  H24  4.5890     0.1627    0.0081   -0.0325    0.03016  
 213  B11  H25  3.9559     0.2516    0.0117   -0.0299    0.03417  
 214  C12  C13  4.5954     0.1561    0.0067   -0.0226    0.02122  
 215  C12  H14  4.7348     0.2508    0.0053   -0.0762    0.08422  
 216  C12  H15  4.6706     0.2733    0.0071   -0.0738    0.08270  
 217  C12  H16  3.0055     0.3469    0.0052    0.0652   -0.03035  
 218  C12  H17  2.8608     0.3140    0.0054    0.0869   -0.05781  
 219  C12  H18  2.1526     0.1066    0.0046   -0.0059    0.00658  
 220  C12  H19  2.1481     0.1080    0.0039   -0.0059    0.00746  
 221  C12  C20  5.4891     0.3538    0.0078   -0.0560    0.07106  
 222  C12  H21  2.1194     0.0981    0.0051   -0.0091    0.00853  
 223  C12  H22  2.1200     0.0962    0.0053   -0.0078    0.00684  
 224  C12  H23  4.5570     0.3618    0.0097    0.0093    0.00975  
 225  C12  H24  6.0952     0.3845    0.0110   -0.0512    0.06437  
 226  C12  H25  5.8945     0.5499    0.0129   -0.0994    0.13783  
 227  C13  H14  2.1528     0.1068    0.0035   -0.0055    0.00730  
 228  C13  H15  2.1477     0.1085    0.0038   -0.0055    0.00721  
 229  C13  H16  4.6888     0.2454    0.0048   -0.0701    0.07813  
 230  C13  H17  4.7173     0.2427    0.0065   -0.0691    0.07505  
 231  C13  H18  2.8813     0.3346    0.0086    0.0928   -0.06249  
 232  C13  H19  2.9890     0.3533    0.0022    0.0755   -0.03593  
 233  C13  H21  5.3397     0.4334    0.0219   -0.0043    0.01752  
 234  C13  H22  6.5198     0.2569    0.0159   -0.0650    0.05929  
 235  C13  H24  2.1196     0.0964    0.0053   -0.0075    0.00660  
 236  C13  H25  2.1196     0.0983    0.0058   -0.0098    0.00855  
 237  H14  H15  1.7367     0.1276    0.0052   -0.0060    0.01014  
 238  H14  H16  3.8034     0.2641    0.0045   -0.0534    0.06725  
 239  H14  H17  3.5260     0.3532    0.0027   -0.0042    0.03695  
 240  H14  H18  3.5336     0.3898    0.0038   -0.0138    0.05301  
 241  H14  H19  3.9131     0.2349    0.0070   -0.0683    0.07548  
 242  H14  C20  2.6727     0.1494    0.0063    0.0057   -0.00359  
 243  H14  H21  5.5116     0.5173    0.0142   -0.0512    0.08559  
 244  H14  H22  6.5136     0.3811    0.0116   -0.0996    0.11035  
 245  H14  H23  3.1049     0.1274    0.0085   -0.0269    0.02361  
 246  H14  H24  3.7554     0.1626    0.0097   -0.0142    0.01147  
 247  H14  H25  2.4932     0.2247    0.0118    0.0270   -0.01856  
 248  H15  H16  3.3933     0.3841    0.0019    0.0080    0.03356  
 249  H15  H17  3.9280     0.2364    0.0044   -0.0632    0.07304  
 250  H15  H18  3.8214     0.2705    0.0112   -0.0669    0.07483  
 251  H15  H19  3.3828     0.4200    0.0108    0.0016    0.03981  
 252  H15  C20  3.2502     0.1387    0.0057   -0.0205    0.02075  
 253  H15  H21  6.0035     0.2831    0.0184   -0.1430    0.13796  
 254  H15  H22  6.7033     0.2686    0.0123   -0.1385    0.13688  
 255  H15  H23  2.5519     0.1863    0.0079   -0.0024    0.00805  
 256  H15  H24  4.1598     0.1587    0.0090   -0.0315    0.02855  
 257  H15  H25  3.5794     0.2174    0.0126   -0.0320    0.03261  
 258  H16  H17  1.7360     0.1272    0.0050   -0.0060    0.01030  
 259  H16  H18  3.9132     0.2433    0.0084   -0.0730    0.07975  
 260  H16  H19  3.4356     0.4048    0.0121   -0.0105    0.04608  
 261  H16  C20  5.8018     0.2195    0.0079   -0.1113    0.11176  
 262  H16  H21  4.7403     0.6062    0.0081   -0.0960    0.16539  
 263  H16  H22  4.5345     0.5803    0.0050    0.0118    0.05750  
 264  H16  H23  4.9066     0.3572    0.0087   -0.0524    0.06970  
 265  H16  H24  6.7210     0.2489    0.0112   -0.1321    0.13008  
 266  H16  H25  6.0043     0.2786    0.0157   -0.1299    0.12721  
 267  H17  H18  3.4868     0.3916    0.0041   -0.0176    0.05745  
 268  H17  H19  3.8261     0.2578    0.0107   -0.0665    0.07319  
 269  H17  C20  5.5318     0.3628    0.0098   -0.0637    0.07769  
 270  H17  H21  3.8531     0.6696    0.0044    0.0593    0.05265  
 271  H17  H22  3.9708     0.4657    0.0062    0.1329   -0.08447  
 272  H17  H23  5.2048     0.2571    0.0114   -0.0982    0.09947  
 273  H17  H24  6.4867     0.3755    0.0137   -0.0909    0.09894  
 274  H17  H25  5.4928     0.4909    0.0157   -0.0411    0.06928  
 275  H18  H19  1.7363     0.1271    0.0051   -0.0060    0.01022  
 276  H18  C20  3.5004     0.4734    0.0061    0.1138   -0.05590  
 277  H18  H21  2.4949     0.2261    0.0120    0.0253   -0.01688  
 278  H18  H22  3.7563     0.1632    0.0110   -0.0149    0.01103  
 279  H18  H23  2.9963     0.6203    0.0141    0.0598    0.05452  
 280  H18  H24  4.0251     0.4900    0.0100    0.1378   -0.08816  
 281  H18  H25  3.9495     0.6822    0.0072    0.0633    0.04729  
 282  H19  C20  4.0642     0.5270   -0.0002   -0.0100    0.07853  
 283  H19  H21  3.5861     0.2148    0.0116   -0.0322    0.03338  
 284  H19  H22  4.1630     0.1575    0.0090   -0.0320    0.02901  
 285  H19  H23  2.6046     0.4642    0.0040    0.2147   -0.13599  
 286  H19  H24  4.5463     0.5869    0.0012    0.0171    0.05752  
 287  H19  H25  4.7728     0.6013    0.0060   -0.0925    0.16230  
 288  C20  H21  5.7888     0.6574    0.0239    0.0332    0.01756  
 289  C20  H22  7.2207     0.5016    0.0188   -0.0783    0.09434  
 290  C20  H23  2.0872     0.0979   -0.0005   -0.0083    0.01340  
 291  H21  H22  1.8497     0.1188    0.0018   -0.0080    0.01380  
 292  H21  H23  5.4781     0.6409    0.0255   -0.0383    0.08778  
 293  H21  H24  6.2514     0.7428    0.0285    0.0461    0.01359  
 294  H21  H25  6.0115     0.8806    0.0249    0.0204    0.08374  
 295  H22  H23  6.5364     0.4420    0.0184   -0.0584    0.06984  
 296  H22  H24  7.7586     0.5587    0.0229   -0.0767    0.09406  
 297  H22  H25  7.5003     0.7390    0.0229   -0.1081    0.15798  
 298  H23  H24  2.4264     0.1635    0.0008   -0.0064    0.01652  
 299  H23  H25  3.0726     0.1197    0.0057   -0.0236    0.02249  
 300  H24  H25  1.8497     0.1191    0.0017   -0.0074    0.01340  
</ambor7>


<ambor8>
   1  H1   C25  1.0868     0.0753    0.0030    0.0000    0.00217  
   2  H2   C25  1.0874     0.0753    0.0034    0.0000    0.00178  
   3  H3   C4   1.0975     0.0771    0.0038    0.0000    0.00160  
   4  C4   B5   1.5877     0.0543    0.0012    0.0000    0.00070  
   5  C4   C22  1.5164     0.0513    0.0008    0.0000    0.00092  
   6  C4   H23  1.0946     0.0766    0.0040    0.0000    0.00138  
   7  B5   C13  1.5936     0.0546    0.0014    0.0000    0.00051  
   8  B5   C21  1.5897     0.0545    0.0013    0.0000    0.00054  
   9  H6   C8   1.0867     0.0753    0.0031    0.0000    0.00215  
  10  H7   C8   1.0887     0.0756    0.0034    0.0000    0.00185  
  11  C8   C10  1.3346     0.0409    0.0006    0.0000    0.00063  
  12  H9   C10  1.0913     0.0761    0.0038    0.0000    0.00153  
  13  C10  C13  1.5037     0.0500    0.0011    0.0000    0.00053  
  14  H11  C13  1.0990     0.0772    0.0041    0.0000    0.00136  
  15  H12  C13  1.1068     0.0784    0.0039    0.0000    0.00168  
  16  H14  C19  1.0868     0.0753    0.0031    0.0000    0.00209  
  17  H15  C19  1.0886     0.0756    0.0034    0.0000    0.00189  
  18  H16  C20  1.0912     0.0761    0.0036    0.0000    0.00173  
  19  H17  C21  1.1085     0.0789    0.0039    0.0000    0.00167  
  20  H18  C21  1.1002     0.0773    0.0039    0.0000    0.00155  
  21  C19  C20  1.3348     0.0409    0.0008    0.0000    0.00041  
  22  C20  C21  1.5021     0.0497    0.0014    0.0000    0.00026  
  23  C22  H24  1.0909     0.0759    0.0038    0.0000    0.00151  
  24  C22  C25  1.3363     0.0412    0.0009    0.0000    0.00035  
  25  H1   H2   1.8520     0.1186    0.0074   -0.0087    0.00886  
  26  H1   H3   4.2297     0.1520    0.0092   -0.0376    0.03381  
  27  H1   C4   3.5237     0.0972    0.0070   -0.0180    0.01369  
  28  H1   B5   4.2110     0.2504    0.0041   -0.0325    0.04325  
  29  H1   H6   7.3620     0.5498    0.0060   -0.1342    0.16931  
  30  H1   H7   7.5054     0.3773    0.0043   -0.1784    0.19302  
  31  H1   C8   6.8076     0.4262    0.0046   -0.1258    0.14787  
  32  H1   H9   4.9548     0.5587   -0.0045    0.0151    0.05246  
  33  H1   C10  5.4854     0.4033    0.0044   -0.0558    0.08109  
  34  H1   H11  5.8654     0.3892    0.0097   -0.0959    0.11208  
  35  H1   H12  4.4434     0.4933    0.0067    0.0072    0.04085  
  36  H1   C13  4.9260     0.3279    0.0059   -0.0479    0.06383  
  37  H1   H14  5.2552     0.6458    0.0028    0.1284   -0.05190  
  38  H1   H15  5.0041     0.8260    0.0018    0.0809    0.05363  
  39  H1   H16  5.1050     0.7377    0.0020   -0.0195    0.12403  
  40  H1   H17  5.9369     0.3720    0.0065   -0.1251    0.14187  
  41  H1   H18  5.1489     0.6596    0.0033   -0.0534    0.13458  
  42  H1   C19  4.8998     0.5773    0.0021    0.0975   -0.03160  
  43  H1   C20  4.8105     0.4813    0.0018    0.0259    0.02039  
  44  H1   C21  4.9169     0.3969    0.0022   -0.0373    0.06717  
  45  H1   C22  2.1171     0.0965    0.0053   -0.0080    0.00710  
  46  H1   H23  3.7809     0.1710    0.0091   -0.0133    0.01192  
  47  H1   H24  2.4264     0.1633    0.0017   -0.0078    0.01711  
  48  H2   H3   3.7455     0.1965    0.0038   -0.0462    0.05272  
  49  H2   C4   2.8041     0.1470    0.0002   -0.0094    0.01694  
  50  H2   B5   3.5121     0.3679   -0.0022   -0.0350    0.07576  
  51  H2   H6   7.4639     0.3905    0.0059   -0.1541    0.16866  
  52  H2   H7   7.3218     0.3910    0.0012   -0.1812    0.20086  
  53  H2   C8   6.7884     0.3467    0.0031   -0.1414    0.15606  
  54  H2   H9   5.2547     0.4085   -0.0049   -0.0371    0.07369  
  55  H2   C10  5.5349     0.3373    0.0017   -0.0852    0.10402  
  56  H2   H11  5.5409     0.4676    0.0033   -0.1038    0.14001  
  57  H2   H12  4.5666     0.5199    0.0033   -0.0459    0.10177  
  58  H2   C13  4.7381     0.3994    0.0010   -0.0714    0.10405  
  59  H2   H14  3.6200     0.6739    0.0015    0.2711   -0.14710  
  60  H2   H15  3.8053     0.9666    0.0031    0.0881    0.15429  
  61  H2   H16  3.4128     0.8306   -0.0076    0.0777    0.13204  
  62  H2   H17  4.7879     0.5321   -0.0009   -0.0990    0.15901  
  63  H2   H18  4.2662     0.7612   -0.0006   -0.0624    0.19882  
  64  H2   C19  3.3931     0.6972   -0.0008    0.1818   -0.03775  
  65  H2   C20  3.2786     0.5986   -0.0055    0.1062    0.00852  
  66  H2   C21  3.8078     0.5501   -0.0043   -0.0190    0.10280  
  67  H2   C22  2.1205     0.0975   -0.0001   -0.0084    0.01304  
  68  H2   H23  2.5721     0.2556    0.0001    0.0278   -0.00252  
  69  H2   H24  3.0744     0.1182    0.0023   -0.0210    0.02328  
  70  H3   B5   2.2390     0.1166    0.0052   -0.0072    0.00802  
  71  H3   H6   4.1911     0.4255    0.0070    0.0576   -0.02142  
  72  H3   H7   4.4300     0.5138    0.0034   -0.0240    0.08014  
  73  H3   C8   3.7537     0.3964    0.0046    0.0327    0.00450  
  74  H3   H9   2.5808     0.3882    0.0039    0.1125   -0.05793  
  75  H3   C10  2.8542     0.2370    0.0062    0.0602   -0.04680  
  76  H3   H11  3.8751     0.2435    0.0083   -0.0409    0.04789  
  77  H3   H12  3.5841     0.2895    0.0119   -0.0369    0.04840  
  78  H3   C13  2.9848     0.1656    0.0063   -0.0031    0.00595  
  79  H3   H14  5.8685     0.3887    0.0184   -0.0448    0.05214  
  80  H3   H15  5.7810     0.4153    0.0052   -0.0998    0.12448  
  81  H3   H16  3.9287     0.2857    0.0101    0.0626   -0.05187  
  82  H3   H17  3.8978     0.3444    0.0085   -0.0266    0.04847  
  83  H3   H18  4.4241     0.1654    0.0104   -0.0673    0.06307  
  84  H3   C19  5.2444     0.3299    0.0112   -0.0507    0.06024  
  85  H3   C20  4.1310     0.1965    0.0096   -0.0012    0.00100  
  86  H3   C21  3.5950     0.1351    0.0073   -0.0209    0.01864  
  87  H3   C22  2.1492     0.1074    0.0037   -0.0060    0.00764  
  88  H3   H23  1.7765     0.1229    0.0061   -0.0065    0.00889  
  89  H3   H24  2.4432     0.1833    0.0068    0.0077   -0.00068  
  90  H3   C25  3.3478     0.1265    0.0063   -0.0285    0.02704  
  91  C4   H6   4.8864     0.3071    0.0082   -0.0077    0.01881  
  92  C4   H7   4.8149     0.3620    0.0031   -0.0545    0.07865  
  93  C4   C8   4.2579     0.2677    0.0051   -0.0133    0.02496  
  94  C4   H9   3.0365     0.2619    0.0002    0.0664   -0.04402  
  95  C4   C10  3.1768     0.1429    0.0045    0.0214   -0.01951  
  96  C4   H11  3.6489     0.1323    0.0058   -0.0372    0.03624  
  97  C4   H12  3.1984     0.2388    0.0083   -0.0177    0.02724  
  98  C4   C13  2.7704     0.0748    0.0036   -0.0047    0.00313  
  99  C4   H14  4.8507     0.3333    0.0130    0.0038    0.00610  
 100  C4   H15  4.7256     0.4409    0.0016   -0.0527    0.09227  
 101  C4   H16  3.1182     0.2810    0.0047    0.0766   -0.05605  
 102  C4   H17  3.3329     0.2714    0.0045   -0.0335    0.05108  
 103  C4   H18  3.5996     0.1809    0.0064   -0.0448    0.04756  
 104  C4   C19  4.2109     0.3072    0.0066   -0.0065    0.02230  
 105  C4   C20  3.1859     0.1374    0.0045    0.0302   -0.02878  
 106  C4   C21  2.7867     0.0735    0.0026   -0.0045    0.00387  
 107  C4   H24  2.2215     0.1033    0.0054   -0.0066    0.00592  
 108  C4   C25  2.5362     0.0655    0.0037   -0.0052    0.00317  
 109  B5   H6   4.5763     0.1731    0.0098   -0.0325    0.02919  
 110  B5   H7   3.9567     0.2496    0.0035   -0.0336    0.04582  
 111  B5   C8   3.6795     0.1525    0.0066   -0.0213    0.02105  
 112  B5   H9   3.0109     0.1754   -0.0009   -0.0035    0.01466  
 113  B5   C10  2.6421     0.0835    0.0031   -0.0057    0.00523  
 114  B5   H11  2.2285     0.1150    0.0040   -0.0063    0.00821  
 115  B5   H12  2.1502     0.1290    0.0039   -0.0061    0.00998  
 116  B5   H14  4.6227     0.1618    0.0080   -0.0318    0.02952  
 117  B5   H15  3.9987     0.2395   -0.0061   -0.0312    0.05162  
 118  B5   H16  3.0267     0.1680    0.0056   -0.0011    0.00483  
 119  B5   H17  2.1296     0.1349    0.0036   -0.0052    0.01020  
 120  B5   H18  2.2194     0.1191    0.0046   -0.0055    0.00736  
 121  B5   C19  3.7207     0.1404    0.0022   -0.0206    0.02372  
 122  B5   C20  2.6646     0.0764    0.0030   -0.0052    0.00442  
 123  B5   C22  2.4565     0.1224   -0.0001   -0.0081    0.01429  
 124  B5   H23  2.2515     0.1109    0.0043   -0.0066    0.00777  
 125  B5   H24  2.9520     0.1983    0.0043   -0.0116    0.02062  
 126  B5   C25  3.3132     0.2464    0.0012   -0.0226    0.03975  
 127  H6   H7   1.8497     0.1188    0.0076   -0.0092    0.00923  
 128  H6   H9   2.4263     0.1636    0.0096   -0.0076    0.00898  
 129  H6   C10  2.1192     0.0972    0.0053   -0.0078    0.00691  
 130  H6   H11  3.7501     0.1619    0.0110   -0.0153    0.01126  
 131  H6   H12  4.1632     0.1594    0.0080   -0.0321    0.03016  
 132  H6   C13  3.5131     0.0969    0.0075   -0.0176    0.01284  
 133  H6   H14  9.1754     0.2962    0.0200   -0.2096    0.19922  
 134  H6   H15  8.4460     0.2961   -0.0003   -0.1919    0.20261  
 135  H6   H16  7.2484     0.4736    0.0204   -0.1135    0.12403  
 136  H6   H17  5.6660     0.4753    0.0161   -0.0202    0.04388  
 137  H6   H18  6.1699     0.2847    0.0123   -0.0785    0.07927  
 138  H6   C19  8.2649     0.2450    0.0126   -0.1752    0.16993  
 139  H6   C20  7.1266     0.3031    0.0157   -0.1231    0.12030  
 140  H6   C21  5.8491     0.2613    0.0133   -0.0698    0.06817  
 141  H6   C22  5.4854     0.4279    0.0053   -0.0448    0.07286  
 142  H6   H23  5.7928     0.3454    0.0130   -0.0279    0.03548  
 143  H6   H24  4.9887     0.5788    0.0043    0.0023    0.06059  
 144  H6   C25  6.7942     0.4403    0.0055   -0.1138    0.13689  
 145  H7   H9   3.0726     0.1185    0.0053   -0.0206    0.01987  
 146  H7   C10  2.1198     0.0974   -0.0009   -0.0082    0.01355  
 147  H7   H11  2.4911     0.2247    0.0007    0.0247   -0.00515  
 148  H7   H12  3.6004     0.2121    0.0009   -0.0326    0.04423  
 149  H7   C13  2.7955     0.1457   -0.0003   -0.0090    0.01686  
 150  H7   H14  8.3291     0.3871    0.0122   -0.1872    0.19300  
 151  H7   H15  7.4480     0.4133   -0.0080   -0.1584    0.18937  
 152  H7   H16  6.4981     0.5640    0.0136   -0.1053    0.14067  
 153  H7   H17  4.4529     0.5508    0.0075    0.0465    0.01417  
 154  H7   H18  5.0054     0.4227    0.0054   -0.0338    0.06401  
 155  H7   C19  7.3507     0.3562    0.0052   -0.1492    0.16127  
 156  H7   C20  6.2436     0.4033    0.0086   -0.1022    0.11960  
 157  H7   C21  4.8340     0.3584    0.0064   -0.0380    0.05817  
 158  H7   C22  5.6234     0.3214    0.0021   -0.0975    0.11379  
 159  H7   H23  5.6395     0.4215    0.0073   -0.0694    0.09359  
 160  H7   H24  5.3809     0.4160    0.0037   -0.0710    0.09953  
 161  H7   C25  6.8282     0.3326    0.0026   -0.1537    0.16731  
 162  C8   H9   2.0872     0.0972    0.0050   -0.0064    0.00591  
 163  C8   H11  2.6681     0.1490    0.0078    0.0043   -0.00376  
 164  C8   H12  3.2587     0.1372    0.0047   -0.0210    0.02201  
 165  C8   C13  2.5242     0.0641    0.0039   -0.0049    0.00260  
 166  C8   H14  8.2564     0.2552    0.0156   -0.1740    0.16632  
 167  C8   H15  7.4466     0.2956   -0.0041   -0.1518    0.16759  
 168  C8   H16  6.4107     0.4244    0.0164   -0.0946    0.10631  
 169  C8   H17  4.6777     0.4417    0.0121    0.0077    0.02185  
 170  C8   H18  5.1203     0.2875    0.0091   -0.0459    0.05298  
 171  C8   C19  7.3102     0.2200    0.0087   -0.1411    0.13902  
 172  C8   C20  6.2000     0.2689    0.0118   -0.0976    0.09740  
 173  C8   C21  4.8596     0.2411    0.0098   -0.0456    0.04778  
 174  C8   C22  4.9229     0.3333    0.0030   -0.0482    0.06773  
 175  C8   H23  5.1744     0.3014    0.0098   -0.0311    0.03882  
 176  C8   H24  4.5505     0.4597    0.0031   -0.0095    0.05278  
 177  C8   C25  6.1871     0.3472    0.0034   -0.1072    0.12330  
 178  H9   H11  3.0986     0.1258    0.0059   -0.0285    0.02770  
 179  H9   H12  2.5279     0.1851    0.0003   -0.0029    0.01609  
 180  H9   C13  2.2130     0.1036    0.0001   -0.0071    0.01181  
 181  H9   H14  7.4943     0.3002    0.0048   -0.1188    0.12610  
 182  H9   H15  6.7900     0.3832   -0.0128   -0.1072    0.14166  
 183  H9   H16  5.8577     0.3063    0.0066   -0.0732    0.08258  
 184  H9   H17  4.8183     0.3015    0.0050   -0.0626    0.07642  
 185  H9   H18  4.8827     0.2108   -0.0006   -0.0542    0.06388  
 186  H9   C19  6.6333     0.2684   -0.0015   -0.0985    0.11083  
 187  H9   C20  5.6476     0.2035    0.0018   -0.0750    0.08052  
 188  H9   C21  4.5473     0.1699    0.0003   -0.0527    0.05882  
 189  H9   C22  3.1955     0.3897   -0.0042    0.0866   -0.03486  
 190  H9   H23  4.0974     0.2874    0.0051    0.0319   -0.01690  
 191  H9   H24  2.5847     0.5317   -0.0048    0.1794   -0.06530  
 192  H9   C25  4.4695     0.4495   -0.0055    0.0162    0.03454  
 193  C10  H11  2.1477     0.1056    0.0048   -0.0070    0.00740  
 194  C10  H12  2.1417     0.1088    0.0033   -0.0058    0.00806  
 195  C10  H14  7.2541     0.1831    0.0098   -0.1237    0.11847  
 196  C10  H15  6.4367     0.2879   -0.0087   -0.1026    0.12420  
 197  C10  H16  5.5668     0.2490    0.0108   -0.0715    0.07184  
 198  C10  H17  4.1099     0.2976    0.0061   -0.0168    0.03219  
 199  C10  H18  4.2758     0.1870    0.0031   -0.0292    0.03427  
 200  C10  C19  6.3200     0.1595    0.0033   -0.0979    0.09857  
 201  C10  C20  5.2868     0.1240    0.0062   -0.0705    0.06720  
 202  C10  C21  4.0107     0.1216    0.0039   -0.0354    0.03519  
 203  C10  C22  3.6537     0.2729    0.0030    0.0070    0.01038  
 204  C10  H23  4.1909     0.1626    0.0088   -0.0016   -0.00090  
 205  C10  H24  3.2816     0.3918    0.0044    0.0565   -0.01408  
 206  C10  C25  4.8902     0.3269    0.0026   -0.0473    0.06653  
 207  H11  H12  1.7490     0.1264    0.0052   -0.0058    0.00970  
 208  H11  H14  6.1989     0.2495    0.0044   -0.0715    0.07715  
 209  H11  H15  5.0786     0.3975   -0.0129   -0.0256    0.06961  
 210  H11  H16  4.8197     0.2386    0.0067   -0.0543    0.05941  
 211  H11  H17  2.7238     0.3407   -0.0014    0.0561   -0.01213  
 212  H11  H18  2.6347     0.3186    0.0003    0.0655   -0.02736  
 213  H11  C19  5.1519     0.2557   -0.0007   -0.0395    0.05291  
 214  H11  C20  4.2520     0.1754    0.0025   -0.0282    0.03289  
 215  H11  C21  2.7585     0.1667    0.0008    0.0209   -0.01154  
 216  H11  C22  4.2740     0.1835    0.0071   -0.0541    0.05488  
 217  H11  H23  4.4312     0.1744    0.0078   -0.0477    0.04685  
 218  H11  H24  4.3064     0.3117    0.0111   -0.0452    0.05672  
 219  H11  C25  5.1878     0.3383    0.0068   -0.0835    0.09869  
 220  H12  H14  6.0371     0.4313    0.0008   -0.0534    0.08334  
 221  H12  H15  4.8577     0.5111   -0.0160    0.0149    0.05488  
 222  H12  H16  5.0002     0.2843    0.0061   -0.0834    0.09345  
 223  H12  H17  3.6358     0.2915    0.0015   -0.0505    0.07242  
 224  H12  H18  2.9095     0.3589   -0.0040    0.0466    0.00159  
 225  H12  C19  5.0334     0.4085   -0.0035   -0.0232    0.05987  
 226  H12  C20  4.3507     0.2925    0.0010   -0.0419    0.06061  
 227  H12  C21  3.1020     0.2386   -0.0009   -0.0150    0.03422  
 228  H12  C22  3.1724     0.3604    0.0079    0.0125    0.02054  
 229  H12  H23  4.1449     0.2271    0.0110   -0.0365    0.03796  
 230  H12  H24  2.9972     0.5244    0.0103    0.0345    0.04698  
 231  H12  C25  3.9842     0.4423    0.0051   -0.0056    0.04964  
 232  C13  H14  5.9909     0.1957    0.0052   -0.0704    0.07161  
 233  C13  H15  5.0109     0.3071   -0.0116   -0.0357    0.06614  
 234  C13  H16  4.5563     0.1612    0.0064   -0.0525    0.05175  
 235  C13  H17  2.9669     0.2167    0.0014    0.0017    0.01275  
 236  C13  H18  2.8039     0.1819    0.0005    0.0248   -0.01344  
 237  C13  C19  4.9953     0.1849   -0.0003   -0.0451    0.05228  
 238  C13  C20  4.0674     0.0940    0.0024   -0.0362    0.03595  
 239  C13  C21  2.7035     0.0769    0.0003   -0.0048    0.00670  
 240  C13  C22  3.2555     0.1609    0.0037   -0.0093    0.01357  
 241  C13  H23  3.6906     0.1086    0.0067   -0.0202    0.01665  
 242  C13  H24  3.2188     0.2870    0.0069    0.0120    0.00664  
 243  C13  C25  4.2635     0.2918    0.0034   -0.0426    0.05922  
 244  H14  H15  1.8498     0.1188    0.0075   -0.0094    0.00955  
 245  H14  H16  2.4269     0.1635    0.0103   -0.0067    0.00742  
 246  H14  H17  4.1503     0.1592    0.0084   -0.0304    0.02819  
 247  H14  H18  3.7532     0.1618    0.0018   -0.0149    0.02008  
 248  H14  C20  2.1194     0.0970    0.0059   -0.0078    0.00632  
 249  H14  C21  3.5125     0.0968    0.0047   -0.0176    0.01554  
 250  H14  C22  5.1239     0.3770    0.0062    0.0426   -0.02107  
 251  H14  H23  4.2541     0.5124    0.0154    0.0374    0.00889  
 252  H14  H24  6.1399     0.4039    0.0081   -0.0218    0.04028  
 253  H14  C25  4.5552     0.5414    0.0048    0.1451   -0.08555  
 254  H15  H16  3.0728     0.1186    0.0051   -0.0207    0.02020  
 255  H15  H17  3.5837     0.2113   -0.0065   -0.0304    0.04936  
 256  H15  H18  2.4935     0.2242   -0.0145    0.0235    0.01122  
 257  H15  C20  2.1198     0.0977   -0.0009   -0.0080    0.01340  
 258  H15  C21  2.7958     0.1465   -0.0091   -0.0082    0.02494  
 259  H15  C22  4.8492     0.5662   -0.0015   -0.0025    0.07016  
 260  H15  H23  4.5361     0.5889    0.0068   -0.0671    0.13672  
 261  H15  H24  5.6799     0.5767   -0.0016   -0.0352    0.09535  
 262  H15  C25  4.4170     0.7679    0.0019    0.0653    0.06635  
 263  H16  H17  2.5323     0.1839    0.0083   -0.0038    0.00894  
 264  H16  H18  3.1010     0.1259    0.0084   -0.0288    0.02548  
 265  H16  C19  2.0876     0.0973    0.0050   -0.0063    0.00585  
 266  H16  C21  2.2105     0.1043    0.0055   -0.0068    0.00623  
 267  H16  C22  4.0304     0.4752    0.0005    0.0170    0.03859  
 268  H16  H23  2.4082     0.3605    0.0024    0.1863   -0.13473  
 269  H16  H24  5.0361     0.4305    0.0059   -0.0361    0.06695  
 270  H16  C25  4.0871     0.6936    0.0002    0.0228    0.09470  
 271  H17  H18  1.7432     0.1273    0.0053   -0.0058    0.00977  
 272  H17  C19  3.2459     0.1373    0.0023   -0.0194    0.02293  
 273  H17  C20  2.1398     0.1090    0.0045   -0.0056    0.00672  
 274  H17  C22  4.4225     0.2181    0.0031   -0.0746    0.08225  
 275  H17  H23  3.4025     0.3849    0.0055   -0.0360    0.07402  
 276  H17  H24  5.0622     0.2398    0.0078   -0.0873    0.09084  
 277  H17  C25  4.9866     0.3614    0.0042   -0.0992    0.12120  
 278  H18  C19  2.6711     0.1491   -0.0019    0.0045    0.00574  
 279  H18  C20  2.1508     0.1059    0.0038   -0.0075    0.00889  
 280  H18  C22  4.1119     0.3781    0.0028   -0.0426    0.07457  
 281  H18  H23  3.8609     0.2410    0.0090   -0.0615    0.06755  
 282  H18  H24  4.6874     0.4238    0.0054   -0.0518    0.08474  
 283  H18  C25  4.3995     0.6014    0.0024   -0.0488    0.12861  
 284  C19  C21  2.5238     0.0642   -0.0007   -0.0050    0.00734  
 285  C19  C22  4.5356     0.3539    0.0019    0.0301   -0.00441  
 286  C19  H23  3.8090     0.4732    0.0090    0.0062    0.04361  
 287  C19  H24  5.4869     0.3786    0.0041   -0.0207    0.04272  
 288  C19  C25  4.1507     0.5160    0.0023    0.1084   -0.04648  
 289  C20  C22  3.8804     0.2418    0.0003    0.0226   -0.00779  
 290  C20  H23  2.7924     0.2519    0.0051    0.0710   -0.05337  
 291  C20  H24  4.8251     0.2617    0.0045   -0.0255    0.03517  
 292  C20  C25  3.8743     0.4337    0.0004    0.0551   -0.00697  
 293  C21  C22  3.6021     0.1849   -0.0003   -0.0182    0.02804  
 294  C21  H23  2.9015     0.1594    0.0044   -0.0002    0.00455  
 295  C21  H24  4.3064     0.2371    0.0039   -0.0393    0.04844  
 296  C21  C25  4.0082     0.3752    0.0002   -0.0208    0.05574  
 297  C22  H23  2.1496     0.1066    0.0033   -0.0060    0.00794  
 298  H23  H24  3.0728     0.1319    0.0082   -0.0302    0.02765  
 299  H23  C25  2.7105     0.1638    0.0059    0.0074   -0.00342  
 300  H24  C25  2.0911     0.0972    0.0003   -0.0066    0.01085  
</ambor8>




                                                                      
<INT>                                                                 
#---------------------------Intensity---------------------------#     
#---------------------------------------------------------------#     
#         S               I(S)                                        
#---------------------------------------------------------------#     
INT1 VarSc=1001 
   3.400000      0.3837481    
   3.600000      0.3625740    
   3.800000      0.3472278    
   4.000000      0.3379390    
   4.200000      0.3347477    
   4.400000      0.3405584    
   4.600000      0.3507598    
   4.800000      0.3629876    
   5.000000      0.3769510    
   5.200000      0.3879117    
   5.400000      0.3927247    
   5.600000      0.3914581    
   5.800000      0.3859780    
   6.000000      0.3749273    
   6.200000      0.3640248    
   6.400000      0.3533077    
   6.600000      0.3437367    
   6.800000      0.3353909    
   7.000000      0.3304839    
   7.200000      0.3263386    
   7.400000      0.3238983    
   7.600000      0.3221701    
   7.800000      0.3196931    
   8.000000      0.3177230    
   8.200000      0.3157932    
   8.400000      0.3148420    
   8.600000      0.3144119    
   8.800000      0.3153449    
   9.000000      0.3169468    
   9.200000      0.3187372    
   9.400000      0.3207470    
   9.600000      0.3221341    
   9.800000      0.3231749    
   10.00000      0.3234496    
   10.20000      0.3228528    
   10.40000      0.3220724    
   10.60000      0.3211331    
   10.80000      0.3206402    
   11.00000      0.3206849    
   11.20000      0.3214003    
   11.40000      0.3228104    
   11.60000      0.3252022    
   11.80000      0.3285047    
   12.00000      0.3323131    
   12.20000      0.3370150    
   12.40000      0.3415863    
   12.60000      0.3456530    
   12.80000      0.3487464    
   13.00000      0.3510263    
   13.20000      0.3526757    
   13.40000      0.3543950    
   13.60000      0.3559045    
   13.80000      0.3581150    
INT2 VarSc=1002 
   9.200000      0.7938172    
   9.400000      0.7907988    
   9.600000      0.7877737    
   9.800000      0.7825487    
   10.00000      0.7721825    
   10.20000      0.7594011    
   10.40000      0.7443810    
   10.60000      0.7304577    
   10.80000      0.7194147    
   11.00000      0.7119730    
   11.20000      0.7064006    
   11.40000      0.7033272    
   11.60000      0.7016653    
   11.80000      0.7035237    
   12.00000      0.7063922    
   12.20000      0.7113164    
   12.40000      0.7143713    
   12.60000      0.7148414    
   12.80000      0.7117366    
   13.00000      0.7061669    
   13.20000      0.6986794    
   13.40000      0.6914356    
   13.60000      0.6851816    
   13.80000      0.6803058    
   14.00000      0.6764117    
   14.20000      0.6723076    
   14.40000      0.6673820    
   14.60000      0.6631399    
   14.80000      0.6574227    
   15.00000      0.6529002    
   15.20000      0.6481283    
   15.40000      0.6456431    
   15.60000      0.6416665    
   15.80000      0.6397793    
   16.00000      0.6369881    
   16.20000      0.6349587    
   16.40000      0.6338536    
   16.60000      0.6324956    
   16.80000      0.6326990    
   17.00000      0.6330289    
   17.20000      0.6339335    
   17.40000      0.6335081    
   17.60000      0.6336586    
   17.80000      0.6328002    
   18.00000      0.6318654    
   18.20000      0.6303790    
   18.40000      0.6292561    
   18.60000      0.6276169    
   18.80000      0.6262124    
   19.00000      0.6246045    
   19.20000      0.6238399    
   19.40000      0.6231464    
   19.60000      0.6233942    
   19.80000      0.6241807    
   20.00000      0.6259659    
   20.20000      0.6277698    
   20.40000      0.6283757    
   20.60000      0.6284691    
   20.80000      0.6281884    
   21.00000      0.6270735    
   21.20000      0.6252471    
   21.40000      0.6232278    
   21.60000      0.6216421    
   21.80000      0.6198190    
   22.00000      0.6192745    
   22.20000      0.6186989    
   22.40000      0.6191376    
   22.60000      0.6200567    
   22.80000      0.6211644    
   23.00000      0.6233796    
   23.20000      0.6254080    
   23.40000      0.6281600    
   23.60000      0.6303008    
   23.80000      0.6318681    
   24.00000      0.6337959    
   24.20000      0.6359546    
   24.40000      0.6380404    
   24.60000      0.6407877    
   24.80000      0.6424617    
   25.00000      0.6444523    
   25.20000      0.6444286    
   25.40000      0.6450829    
   25.60000      0.6450288    
   25.80000      0.6449094    
   26.00000      0.6445329    
   26.20000      0.6442079    
   26.40000      0.6442552    
   26.60000      0.6448197    
   26.80000      0.6444231    
   27.00000      0.6456845    
   27.20000      0.6465697    
   27.40000      0.6480942    
   27.60000      0.6506867    
   27.80000      0.6529486    
   28.00000      0.6550789    
   28.20000      0.6575898    
   28.40000      0.6589658    
   28.60000      0.6614890    
   28.80000      0.6636348    
   29.00000      0.6657271    
   29.20000      0.6671901    
   29.40000      0.6694298    
   29.60000      0.6715731    
</INT>                                                                
                                                                      
                                                                      
                                                                      
