 c
 c   1 cc2     
 n   2 nc3        1 ncc3      
 c   3 cn4        2 cnc4         1 dih4   
 c   4 cc5        3 ccn5         2 dih5   
 o   2 oc6        3 ocn6         4 dih6   
 c   4 cc7        3 ccn7         2 dih7   
 n   7 nc8        4 ncc8         3 dih8   
 c   8 cn9        7 cnc9         4 dih9   
 c   9 cc10       8 ccn10        7 dih10  
 o   7 oc11       4 occ11        3 dih11  
 c   9 cc12       8 ccn12        7 dih12  
 n  12 nc13       9 ncc13        8 dih13  
 c  13 cn14      12 cnc14        9 dih14  
 c  14 cc15      13 ccn15       12 dih15  
 o  12 oc16       9 occ16        8 dih16  
 c  14 cc17      13 ccn17       12 dih17  
 n  17 nc18      14 ncc18       13 dih18  
 c  18 cn19      17 cnc19       14 dih19  
 c  19 cc20      18 ccn20       17 dih20  
 o  17 oc21      14 occ21       13 dih21  
 c  19 cc22      18 ccn22       17 dih22  
 n  22 nc23      19 ncc23       18 dih23  
 c  23 cn24      22 cnc24       19 dih24  
 c  24 cc25      23 ccn25       22 dih25  
 o  22 oc26      19 occ26       18 dih26  
 c  24 cc27      23 ccn27       22 dih27  
 n  27 nc28      24 ncc28       23 dih28  
 c  28 cn29      27 cnc29       24 dih29  
 c  29 cc30      28 ccn30       27 dih30  
 o  27 oc31      24 occ31       23 dih31  
 c  29 cc32      28 ccn32       27 dih32  
 n  32 nc33      29 ncc33       28 dih33  
 c  33 cn34      32 cnc34       29 dih34  
 c  34 cc35      33 ccn35       32 dih35  
 o  32 oc36      29 occ36       28 dih36  
 c  34 cc37      33 ccn37       32 dih37  
 n  37 nc38      34 ncc38       33 dih38  
 c  38 cn39      37 cnc39       34 dih39  
 c  39 cc40      38 ccn40       37 dih40  
 o  37 oc41      34 occ41       33 dih41  
 c  39 cc42      38 ccn42       37 dih42  
 n  42 nc43      39 ncc43       38 dih43  
 c  43 cn44      42 cnc44       39 dih44  
 c  44 cc45      43 ccn45       42 dih45  
 o  42 oc46      39 occ46       38 dih46  
 c  44 cc47      43 ccn47       42 dih47  
 n  47 nc48      44 ncc48       43 dih48  
 c  48 cn49      47 cnc49       44 dih49  
 c  49 cc50      48 ccn50       47 dih50  
 o  47 oc51      44 occ51       43 dih51  
 c  49 cc52      48 ccn52       47 dih52  
 n  52 nc53      49 ncc53       48 dih53  
 c  53 cn54      52 cnc54       49 dih54  
 c  54 cc55      53 ccn55       52 dih55  
 o  52 oc56      49 occ56       48 dih56  
 c  54 cc57      53 ccn57       52 dih57  
 n  57 nc58      54 ncc58       53 dih58  
 c  58 cn59      57 cnc59       54 dih59  
 c  59 cc60      58 ccn60       57 dih60  
 o  57 oc61      54 occ61       53 dih61  
 c  59 cc62      58 ccn62       57 dih62  
 n  62 nc63      59 ncc63       58 dih63  
 c  63 cn64      62 cnc64       59 dih64  
 c  64 cc65      63 ccn65       62 dih65  
 o  62 oc66      59 occ66       58 dih66  
 c  64 cc67      63 ccn67       62 dih67  
 n  67 nc68      64 ncc68       63 dih68  
 c  68 cn69      67 cnc69       64 dih69  
 c  69 cc70      68 ccn70       67 dih70  
 o  67 oc71      64 occ71       63 dih71  
 c  69 cc72      68 ccn72       67 dih72  
 n  72 nc73      69 ncc73       68 dih73  
 c  73 cn74      72 cnc74       69 dih74  
 c  74 cc75      73 ccn75       72 dih75  
 o  72 oc76      69 occ76       68 dih76  
 c  74 cc77      73 ccn77       72 dih77  
 n  77 nc78      74 ncc78       73 dih78  
 c  78 cn79      77 cnc79       74 dih79  
 o  77 oc80      74 occ80       73 dih80  
 h   1 hc81       2 hcc81        3 dih81  
 h   1 hc82       2 hcc82        3 dih82  
 h   1 hc83       2 hcc83        3 dih83  
 h   3 hn84       2 hnc84        1 dih84  
 h   4 hc85       3 hcn85        2 dih85  
 h   5 hc86       4 hcc86        3 dih86  
 h   5 hc87       4 hcc87        3 dih87  
 h   5 hc88       4 hcc88        3 dih88  
 h   8 hn89       7 hnc89        4 dih89  
 h   9 hc90       8 hcn90        7 dih90  
 h  10 hc91       9 hcc91        8 dih91  
 h  10 hc92       9 hcc92        8 dih92  
 h  10 hc93       9 hcc93        8 dih93  
 h  13 hn94      12 hnc94        9 dih94  
 h  14 hc95      13 hcn95       12 dih95  
 h  15 hc96      14 hcc96       13 dih96  
 h  15 hc97      14 hcc97       13 dih97  
 h  15 hc98      14 hcc98       13 dih98  
 h  18 hn99      17 hnc99       14 dih99  
 h  19 hc100     18 hcn100      17 dih100 
 h  20 hc101     19 hcc101      18 dih101 
 h  20 hc102     19 hcc102      18 dih102 
 h  20 hc103     19 hcc103      18 dih103 
 h  23 hn104     22 hnc104      19 dih104 
 h  24 hc105     23 hcn105      22 dih105 
 h  25 hc106     24 hcc106      23 dih106 
 h  25 hc107     24 hcc107      23 dih107 
 h  25 hc108     24 hcc108      23 dih108 
 h  28 hn109     27 hnc109      24 dih109 
 h  29 hc110     28 hcn110      27 dih110 
 h  30 hc111     29 hcc111      28 dih111 
 h  30 hc112     29 hcc112      28 dih112 
 h  30 hc113     29 hcc113      28 dih113 
 h  33 hn114     32 hnc114      29 dih114 
 h  34 hc115     33 hcn115      32 dih115 
 h  35 hc116     34 hcc116      33 dih116 
 h  35 hc117     34 hcc117      33 dih117 
 h  35 hc118     34 hcc118      33 dih118 
 h  38 hn119     37 hnc119      34 dih119 
 h  39 hc120     38 hcn120      37 dih120 
 h  40 hc121     39 hcc121      38 dih121 
 h  40 hc122     39 hcc122      38 dih122 
 h  40 hc123     39 hcc123      38 dih123 
 h  43 hn124     42 hnc124      39 dih124 
 h  44 hc125     43 hcn125      42 dih125 
 h  45 hc126     44 hcc126      43 dih126 
 h  45 hc127     44 hcc127      43 dih127 
 h  45 hc128     44 hcc128      43 dih128 
 h  48 hn129     47 hnc129      44 dih129 
 h  49 hc130     48 hcn130      47 dih130 
 h  50 hc131     49 hcc131      48 dih131 
 h  50 hc132     49 hcc132      48 dih132 
 h  50 hc133     49 hcc133      48 dih133 
 h  53 hn134     52 hnc134      49 dih134 
 h  54 hc135     53 hcn135      52 dih135 
 h  55 hc136     54 hcc136      53 dih136 
 h  55 hc137     54 hcc137      53 dih137 
 h  55 hc138     54 hcc138      53 dih138 
 h  58 hn139     57 hnc139      54 dih139 
 h  59 hc140     58 hcn140      57 dih140 
 h  60 hc141     59 hcc141      58 dih141 
 h  60 hc142     59 hcc142      58 dih142 
 h  60 hc143     59 hcc143      58 dih143 
 h  63 hn144     62 hnc144      59 dih144 
 h  64 hc145     63 hcn145      62 dih145 
 h  65 hc146     64 hcc146      63 dih146 
 h  65 hc147     64 hcc147      63 dih147 
 h  65 hc148     64 hcc148      63 dih148 
 h  68 hn149     67 hnc149      64 dih149 
 h  69 hc150     68 hcn150      67 dih150 
 h  70 hc151     69 hcc151      68 dih151 
 h  70 hc152     69 hcc152      68 dih152 
 h  70 hc153     69 hcc153      68 dih153 
 h  73 hn154     72 hnc154      69 dih154 
 h  74 hc155     73 hcn155      72 dih155 
 h  75 hc156     74 hcc156      73 dih156 
 h  75 hc157     74 hcc157      73 dih157 
 h  75 hc158     74 hcc158      73 dih158 
 h  78 hn159     77 hnc159      74 dih159 
 h  79 hc160     78 hcn160      77 dih160 
 h  79 hc161     78 hcn161      77 dih161 
 h  79 hc162     78 hcn162      77 dih162 
 
cc2         1.509539
nc3         1.372529
ncc3        117.033
cn4         1.472639
cnc4        121.710
dih4       -168.311
cc5         1.538553
ccn5        110.241
dih5        174.619
oc6         1.258003
ocn6        120.705
dih6         11.611
cc7         1.531201
ccn7        112.796
dih7        -61.023
nc8         1.353020
ncc8        118.267
dih8        -27.381
cn9         1.468995
cnc9        121.869
dih9       -182.157
cc10        1.536943
ccn10       110.110
dih10       179.541
oc11        1.261670
occ11       119.259
dih11       153.280
cc12        1.539758
ccn12       112.421
dih12       -56.378
nc13        1.355521
ncc13       118.481
dih13       -31.902
cn14        1.472539
cnc14       120.490
dih14       180.445
cc15        1.537057
ccn15       110.270
dih15       169.061
oc16        1.259524
occ16       118.474
dih16       149.950
cc17        1.539686
ccn17       112.006
dih17       -66.334
nc18        1.364667
ncc18       116.847
dih18       -34.340
cn19        1.466495
cnc19       121.135
dih19       174.573
cc20        1.537735
ccn20       110.217
dih20       162.496
oc21        1.252797
occ21       120.378
dih21       146.912
cc22        1.538325
ccn22       111.150
dih22       -73.178
nc23        1.356238
ncc23       117.358
dih23       -41.578
cn24        1.468992
cnc24       120.945
dih24       178.766
cc25        1.536805
ccn25       110.298
dih25       177.273
oc26        1.263833
occ26       120.758
dih26       138.422
cc27        1.538322
ccn27       111.901
dih27       -58.974
nc28        1.351811
ncc28       117.347
dih28       -33.987
cn29        1.470057
cnc29       122.802
dih29       179.339
cc30        1.538619
ccn30       109.444
dih30       177.227
oc31        1.262861
occ31       119.438
dih31       146.357
cc32        1.538381
ccn32       113.825
dih32       -59.072
nc33        1.364961
ncc33       118.046
dih33       -18.594
cn34        1.460094
cnc34       121.554
dih34       176.312
cc35        1.537212
ccn35       110.983
dih35       142.353
oc36        1.253122
occ36       118.880
dih36       161.964
cc37        1.540265
ccn37       112.677
dih37       -92.798
nc38        1.350824
ncc38       117.626
dih38         5.167
cn39        1.478038
cnc39       126.126
dih39       170.573
cc40        1.542778
ccn40       112.667
dih40       -57.389
oc41        1.271574
occ41       118.952
dih41      185.144
cc42        1.535597
ccn42       113.138
dih42        70.756
nc43        1.351853
ncc43       117.584
dih43       -58.780
cn44        1.466881
cnc44       121.581
dih44     184.214
cc45        1.538427
ccn45       109.942
dih45       176.355
oc46        1.270490
occ46       120.330
dih46       121.555
cc47        1.535802
ccn47       112.133
dih47       -59.766
nc48        1.360035
ncc48       116.934
dih48       -35.150
cn49        1.466330
cnc49       122.092
dih49      180.987
cc50        1.535492
ccn50       110.476
dih50       160.386
oc51        1.257533
occ51       120.321
dih51       146.533
cc52        1.542272
ccn52       113.387
dih52       -73.990
nc53        1.363076
ncc53       117.469
dih53       -15.063
cn54        1.468930
cnc54       121.704
dih54       168.074
cc55        1.537219
ccn55       111.003
dih55       151.023
oc56        1.253887
occ56       118.795
dih56       164.851
cc57        1.539562
ccn57       110.634
dih57       -84.813
nc58        1.358933
ncc58       117.381
dih58       -46.273
cn59        1.469969
cnc59       120.939
dih59       178.728
cc60        1.537096
ccn60       110.023
dih60       179.890
oc61        1.259790
occ61       120.513
dih61       133.182
cc62        1.537573
ccn62       112.068
dih62       -56.363
nc63        1.356709
ncc63       117.154
dih63       -34.000
cn64        1.467115
cnc64       122.048
dih64      -180.949
cc65        1.539366
ccn65       109.410
dih65      181.489
oc66        1.258669
occ66       119.863
dih66       146.492
cc67        1.536683
ccn67       113.373
dih67       -55.370
nc68        1.354255
ncc68       118.586
dih68       -25.754
cn69        1.466526
cnc69       121.336
dih69      180.372
cc70        1.535597
ccn70       110.533
dih70       162.246
oc71        1.262570
occ71       118.543
dih71       155.879
cc72        1.543693
ccn72       113.955
dih72       -72.062
nc73        1.360013
ncc73       117.555
dih73        -4.044
cn74        1.463368
cnc74       122.284
dih74       171.347
cc75        1.536530
ccn75       111.346
dih75       131.697
oc76        1.256281
occ76       118.556
dih76       173.971
cc77        1.544048
ccn77       112.463
dih77      -103.705
nc78        1.356885
ncc78       117.321
dih78        10.636
cn79        1.458499
cnc79       121.016
dih79       178.756
oc80        1.258376
occ80       119.965
dih80      -170.542
hc81        1.092650
hcc81       109.377
dih81      -137.110
hc82        1.093444
hcc82       113.184
dih82       -14.989
hc83        1.096153
hcc83       109.123
dih83       105.895
hn84        1.011034
hnc84       119.047
dih84        -3.833
hc85        1.096168
hcn85       108.954
dih85        54.573
hc86        1.095165
hcc86       110.529
dih86       -60.792
hc87        1.092671
hcc87       109.606
dih87      -179.726
hc88        1.095639
hcc88       111.290
dih88        60.395
hn89        1.010653
hnc89       118.834
dih89         1.002
hc90        1.094171
hcn90       108.810
dih90        59.465
hc91        1.095316
hcc91       110.663
dih91       -60.467
hc92        1.092728
hcc92       109.484
dih92      -179.645
hc93        1.096058
hcc93       111.155
dih93        60.895
hn94        1.018768
hnc94       121.181
dih94         7.733
hc95        1.093445
hcn95       108.358
dih95        48.632
hc96        1.094866
hcc96       110.360
dih96       -62.821
hc97        1.093306
hcc97       109.453
dih97       177.935
hc98        1.094694
hcc98       111.294
dih98        57.614
hn99        1.011921
hnc99       119.883
dih99         7.008
hc100       1.092347
hcn100      108.082
dih100       41.457
hc101       1.094700
hcc101      109.938
dih101      -62.153
hc102       1.093307
hcc102      110.327
dih102      178.372
hc103       1.095455
hcc103      110.885
dih103       58.272
hn104       1.016423
hnc104      120.154
dih104       -3.146
hc105       1.095283
hcn105      109.027
dih105       56.245
hc106       1.095193
hcc106      110.546
dih106      -58.223
hc107       1.093383
hcc107      109.625
dih107     -177.767
hc108       1.095227
hcc108      110.401
dih108       62.770
hn109       1.017415
hnc109      119.424
dih109       -7.918
hc110       1.096326
hcn110      109.110
dih110       57.015
hc111       1.094899
hcc111      110.313
dih111      -60.291
hc112       1.092564
hcc112      109.188
dih112     -180.106
hc113       1.095507
hcc113      110.471
dih113       59.859
hn114       1.016548
hnc114      121.025
dih114       -2.467
hc115       1.096720
hcn115      106.834
dih115       22.380
hc116       1.093632
hcc116      109.862
dih116      -64.535
hc117       1.092264
hcc117      109.755
dih117     -184.742
hc118       1.096108
hcc118      110.511
dih118       54.779
hn119       1.022536
hnc119      119.468
dih119       -3.180
hc120       1.091707
hcn120      104.753
dih120    184.045
hc121       1.093985
hcc121      109.239
dih121      -58.883
hc122       1.095205
hcc122      110.095
dih122     -177.930
hc123       1.092151
hcc123      111.313
dih123       60.987
hn124       1.032012
hnc124      117.150
dih124        3.818
hc125       1.095055
hcn125      109.183
dih125       56.024
hc126       1.094492
hcc126      110.296
dih126      -60.490
hc127       1.093276
hcc127      109.824
dih127    -180.025
hc128       1.095329
hcc128      111.069
dih128       59.793
hn129       1.011907
hnc129      119.110
dih129        1.994
hc130       1.094895
hcn130      107.571
dih130       40.822
hc131       1.095137
hcc131      110.399
dih131      -63.242
hc132       1.093444
hcc132      108.735
dih132     -180.311
hc133       1.096136
hcc133      111.399
dih133       57.712
hn134       1.014546
hnc134      119.883
dih134        3.395
hc135       1.091492
hcn135      107.444
dih135       29.469
hc136       1.094593
hcc136      110.153
dih136      -62.731
hc137       1.094595
hcc137      110.075
dih137     -180.416
hc138       1.094677
hcc138      110.948
dih138       57.214
hn139       1.017489
hnc139      120.488
dih139       -2.136
hc140       1.095172
hcn140      109.330
dih140       58.924
hc141       1.095280
hcc141      110.565
dih141      -58.791
hc142       1.093342
hcc142      109.588
dih142     -178.380
hc143       1.095415
hcc143      110.535
dih143       61.927
hn144       1.017434
hnc144      119.657
dih144       -9.645
hc145       1.096195
hcn145      109.672
dih145       60.989
hc146       1.094896
hcc146      110.341
dih146      -59.517
hc147       1.092993
hcc147      109.416
dih147     -179.453
hc148       1.096319
hcc148      110.523
dih148       60.761
hn149       1.017997
hnc149      121.003
dih149        6.200
hc150       1.096302
hcn150      107.502
dih150       42.628
hc151       1.095013
hcc151      110.417
dih151      -64.018
hc152       1.092531
hcc152      108.793
dih152      176.051
hc153       1.094807
hcc153      110.927
dih153       55.982
hn154       1.018378
hnc154      120.809
dih154       -8.000
hc155       1.096271
hcn155      106.184
dih155       12.165
hc156       1.094729
hcc156      110.210
dih156      -66.090
hc157       1.092423
hcc157      109.297
dih157      173.386
hc158       1.095887
hcc158      110.483
dih158       53.742
hn159       1.015353
hnc159      121.195
dih159       -2.087
hc160       1.091986
hcn160      108.435
dih160      166.052
hc161       1.094283
hcn161      110.175
dih161       45.808
hc162       1.097332
hcn162      111.628
dih162      -73.673
 
