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(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl
(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl
ID: BP-12278
CAS:100165-88-6
Supplier:BroadPharm

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SMILES:c1(c2c(P(c3ccc(cc3)C)c3ccc(cc3)C)ccc3c2cccc3)c(P(c2ccc(cc2)C)c2ccc(cc2)C)ccc2c1cccc2	
FORMULA: C48H40P2
MASS: 678.7787
EXACT MASS: 678.2605245
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      P   5      P   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.0000     0.0000 
   C   3    1.2507     2.8397     0.0000 
   C   4    2.8397     1.2507     3.2500     0.0000 
   P   5    3.0778     2.4946     2.8130     1.6223     0.0000 
   P   6    2.1625     2.9456     1.2471     2.8382     1.8414     0.0000 
   C   7    1.2507     2.8397     2.1666     3.9060     4.3234     3.3054 
   C   8    2.8397     1.2507     3.9060     2.1666     3.6621     4.1744 
   C   9    4.0236     2.1654     4.5000     1.2500     2.4951     4.0225 
   C  10    2.1654     4.0236     1.2500     4.5000     3.9458     2.1634 
   C  11    4.3234     3.5975     3.9454     2.4946     1.2507     2.8151 
   C  12    2.5503     2.8730     1.8390     2.4951     1.2500     0.6496 
   C  13    2.4978     2.2889     2.1634     1.7479     0.6496     1.2500 
   C  14    3.3054     4.1744     2.1625     3.9037     2.5527     1.2507 
   C  15    4.0236     2.1654     4.9944     2.5013     4.1237     5.0548 
   C  16    2.1654     4.0236     2.5013     4.9944     5.1331     3.7484 
   C  17    2.5000     4.5000     2.1654     5.2382     4.9785     3.3055 
   C  18    4.5000     2.5000     5.2382     2.1654     3.6620     4.9926 
   C  19    4.9947     4.6580     4.3235     3.6622     2.1667     3.0812 
   C  20    1.4097     2.4974     0.6496     2.7071     2.1634     0.7568 
   C  21    3.5713     4.1237     2.5503     3.6620     2.1654     1.4097 
   C  22    3.7484     3.2482     3.3055     2.2889     0.7609     2.1654 
   C  23    2.1654     1.0905     2.5000     0.7500     1.4056     2.1634 
   C  24    5.1331     3.9495     4.9785     2.7049     2.1654     3.9473 
   C  25    4.3292     4.7689     3.3055     4.1745     2.5840     2.1667 
   C  26    3.7484     5.0548     2.4978     4.9926     3.7647     2.1654 
   C  27    6.2338     5.7542     5.5714     4.6580     3.3096     4.3269 
   C  28    4.5056     3.4352     4.3288     2.2196     1.5158     3.3074 
   C  29    3.3074     1.5618     3.7500     0.5000     1.9221     3.3061 
   C  30    1.9251     3.5994     0.7604     3.9509     3.3061     1.5138 
   C  31    3.8044     4.8707     2.5808     4.6574     3.3074     1.9251 
   C  32    6.3450     5.1970     6.0935     3.9496     3.3083     4.9806 
   C  33    5.4485     6.0155     4.3292     5.4134     3.8075     3.3096 
   C  34    4.9992     6.2444     3.7485     6.0664     4.6893     3.3083 
   C  35    5.7281     6.6566     4.5060     6.2444     4.7067     3.7521 
   C  36    4.3288     2.7819     4.5061     1.5589     1.9646     3.7500 
   C  37    3.1530     4.6574     1.9221     4.7737     3.7500     1.9646 
   C  38    6.8203     5.9805     6.3450     4.7739     3.7521     5.1360 
   C  39    2.9487     2.1667     4.1777     3.3096     4.6580     4.7689 
   C  40    2.1667     2.9487     3.3096     4.1777     4.9947     4.3292 
   C  41    3.3083     4.9945     3.7521     6.0686     6.3450     4.9992 
   C  42    4.9945     3.3083     6.0686     3.7521     5.3744     6.2444 
   C  43    8.0698     7.2022     7.5695     5.9805     5.0027     6.3480 
   C  44    4.0432     5.7531     2.9220     5.9797     5.0000     3.2040 
   C  45    5.4476     3.6982     5.7276     2.6087     3.2040     5.0000 
   C  46    6.9603     7.9022     5.7281     7.4539     5.8876     5.0027 
   C  47    3.3096     4.1777     4.3333     5.4166     6.2338     5.4485 
   C  48    4.1777     3.3096     5.4166     4.3333     5.7947     6.0155 
   C  49    5.0575     3.7521     6.2472     4.5100     6.0970     6.6566 
   C  50    3.7521     5.0575     4.5100     6.2472     6.8203     5.7281 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.2500     0.0000 
   C   9    4.9944     2.5013     0.0000 
   C  10    2.5013     4.9944     5.7500     0.0000 
   C  11    5.5713     4.6579     2.8730     4.9785     0.0000 
   C  12    3.7631     4.1237     3.5978     2.8130     2.1654     0.0000 
   C  13    3.7484     3.5250     2.8382     3.3061     1.8421     0.7604 
   C  14    4.3291     5.4133     4.9926     2.4978     3.0797     1.4090 
   C  15    4.5000     1.2500     2.1666     6.1446     4.8710     4.8707 
   C  16    1.2500     4.5000     6.1446     2.1666     6.3449     4.3234 
   C  17    2.1654     5.2382     6.4664     1.2507     6.0934     3.9454 
   C  18    5.2382     2.1654     1.2507     6.4664     4.1237     4.6574 
   C  19    6.2338     5.7947     4.1237     5.1331     1.2508     2.5014 
   C  20    2.5543     3.6648     3.9509     1.8414     3.3055     1.2471 
   C  21    4.6880     5.3743     4.6574     3.0778     2.5000     1.2507 
   C  22    4.9991     4.3936     2.9456     4.3288     0.6496     1.5158 
   C  23    3.3082     2.2927     2.0000     3.7500     2.5503     1.9221 
   C  24    6.3449     4.7738     2.4946     6.0934     1.2500     3.3074 
   C  25    5.4485     6.0155     5.0548     3.7485     2.5528     1.9257 
   C  26    4.5060     6.2443     6.1432     2.1625     4.3247     2.5527 
   C  27    7.4768     6.8234     4.8711     6.3450     2.1667     3.7521 
   C  28    5.7274     4.3579     2.2889     5.4476     0.7604     2.6723 
   C  29    4.3309     2.2235     0.7500     5.0000     2.5808     2.9220 
   C  30    2.5847     4.6596     5.1977     0.6496     4.3288     2.1634 
   C  31    4.7046     6.0963     5.7531     2.5503     3.7500     2.1654 
   C  32    7.5695     5.9805     3.5976     7.1440     2.1655     4.3309 
   C  33    6.4958     7.2635     6.2444     4.5060     3.5736     3.1569 
   C  34    5.7281     7.4539     7.1538     3.3055     4.9954     3.5736 
   C  35    6.6150     7.9022     7.1975     4.3292     4.6893     3.8075 
   C  36    5.4476     3.4352     1.0864     5.7276     1.9251     3.2040 
   C  37    3.8044     5.7937     5.9797     1.4056     4.5071     2.5000 
   C  38    8.0698     6.9031     4.6580     7.2528     2.5014     4.5087 
   C  39    2.8398     1.2508     3.7521     5.0575     5.7542     4.8711 
   C  40    1.2508     2.8398     5.0575     3.7521     6.2338     4.6881 
   C  41    2.1655     5.2383     7.1556     3.3096     7.5695     5.5714 
   C  42    5.2383     2.1655     3.3096     7.1556     6.0970     6.0964 
   C  43    9.3195     8.0822     5.7542     8.4382     3.7521     5.7306 
   C  44    4.3951     6.8217     7.2007     1.9221     5.7284     3.7500 
   C  45    6.4943     4.0219     1.5589     6.9592     2.9240     4.4494 
   C  46    7.8076     9.1492     8.3628     5.4485     5.7389     5.0443 
   C  47    2.1667     3.9060     6.2472     4.5100     7.4768     5.8591 
   C  48    3.9060     2.1667     4.5100     6.2472     6.8234     6.0970 
   C  49    4.9945     2.5014     4.3333     7.2000     6.9706     6.6251 
   C  50    2.5014     4.9945     7.2000     4.3333     8.0698     6.2338 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    2.1654     0.0000 
   C  15    4.1744     6.2443     0.0000 
   C  16    4.5056     4.5060     5.7500     0.0000 
   C  17    4.3288     3.7484     6.4664     1.2507     0.0000 
   C  18    3.9037     6.0664     1.2507     6.4664     7.0000     0.0000 
   C  19    2.5544     2.8151     6.0970     6.8203     6.3450     5.3744 
   C  20    1.5138     1.9217     4.6596     3.0811     2.8151     4.7749 
   C  21    1.9251     0.6496     6.0963     4.9946     4.3234     5.7937 
   C  22    1.2507     2.5000     4.7688     5.7274     5.4476     4.1744 
   C  23    1.2471     3.3055     2.9486     4.3309     4.5071     2.8397 
   C  24    2.8151     4.3247     4.6579     7.2527     7.1439     3.6621 
   C  25    2.5014     1.2508     6.6566     5.7281     4.9992     6.2444 
   C  26    3.3074     1.2500     7.1975     4.3291     3.3054     7.1537 
   C  27    3.7671     3.9481     6.9706     8.0698     7.5695     6.0970 
   C  28    2.1654     3.7500     4.3936     6.6137     6.4943     3.5250 
   C  29    2.1634     4.3288     2.2927     5.4492     5.7284     1.7505 
   C  30    2.6712     1.9619     5.7548     2.5543     1.8421     5.9807 
   C  31    2.9240     0.7604     6.9693     4.6880     3.7631     6.8217 
   C  32    3.9481     5.1344     5.7542     8.4382     8.2506     4.6580 
   C  33    3.7521     2.1667     7.9022     6.6150     5.7281     7.4539 
   C  34    4.3309     2.1655     8.3628     5.4485     4.3292     8.2306 
   C  35    4.5087     2.5014     8.6751     6.4958     5.4485     8.3628 
   C  36    2.5000     4.5071     3.2482     6.4943     6.6135     2.2889 
   C  37    3.2040     1.5158     6.8217     3.5713     2.5503     6.9014 
   C  38    4.3269     4.9806     6.8234     8.8014     8.4382     5.7947 
   C  39    4.3937     6.0155     2.1655     4.0236     4.9945     3.3083 
   C  40    4.5060     5.4485     4.0236     2.1655     3.3083     4.9945 
   C  41    5.7275     5.7281     6.4664     1.2508     2.1667     7.3277 
   C  42    5.4134     7.4539     1.2508     6.4664     7.3277     2.1667 
   C  43    5.5748     6.0959     7.9162    10.0379     9.6402     6.8234 
   C  44    4.4494     2.6723     7.9139     3.8044     2.5808     8.0799 
   C  45    3.7500     5.7284     3.4352     7.6027     7.8055     2.2196 
   C  46    5.7306     3.7521     9.9037     7.6048     6.4958     9.5496 
   C  47    5.7281     6.4958     4.9945     2.5014     3.7521     6.0686 
   C  48    5.5844     7.2635     2.5014     4.9945     6.0686     3.7521 
   C  49    6.0155     7.9022     2.1667     6.1447     7.1556     3.3096 
   C  50    6.2499     6.6150     6.1447     2.1667     3.3096     7.1556 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.7485     0.0000 
   C  21    2.1655     2.1625     0.0000 
   C  22    1.4098     2.6703     1.9646     0.0000 
   C  23    3.5714     1.9646     3.1530     2.1625     0.0000 
   C  24    2.1655     4.3288     3.7500     1.8414     3.0778     0.0000 
   C  25    1.8414     2.9216     0.7610     2.1655     3.7485     3.7647 
   C  26    3.9473     2.5810     1.8414     3.7500     4.3288     5.5720 
   C  27    1.2507     4.9992     3.3083     2.5544     4.6881     2.5014 
   C  28    1.9252     3.6792     3.2040     1.2500     2.4978     0.6496 
   C  29    3.8045     3.2040     4.0432     2.4978     1.2500     2.5503 
   C  30    4.5057     1.2500     2.4978     3.6792     3.2040     5.4476 
   C  31    3.3075     2.4978     1.2500     3.2040     4.0432     5.0000 
   C  32    2.5000     5.4476     4.5071     2.8151     4.3235     1.2508 
   C  33    2.5527     4.0435     1.9257     3.3083     4.9992     4.6893 
   C  34    4.3247     3.8043     2.5528     4.5071     5.4476     6.2338 
   C  35    3.7647     4.3953     2.5840     4.3309     5.7275     5.8595 
   C  36    3.1563     3.8864     4.0643     2.1654     2.1634     1.4097 
   C  37    4.3309     2.1634     2.1654     3.8872     4.0629     5.7284 
   C  38    2.1654     5.7275     4.3309     3.0812     4.9947     2.1667 
   C  39    6.8235     4.1273     6.0970     5.4139     3.2524     5.9805 
   C  40    7.0576     3.5755     5.7378     5.7281     3.7521     6.8203 
   C  41    8.0698     4.3269     6.2338     6.9596     5.4501     8.4382 
   C  42    7.3313     5.7963     7.3304     6.0155     4.1777     5.7947 
   C  43    3.3082     6.9596     5.4501     4.3269     6.2338     3.3096 
   C  44    5.4493     3.3061     3.3074     5.1190     5.2536     6.9598 
   C  45    4.0458     5.1184     5.2547     3.3074     3.3061     1.9251 
   C  46    4.6893     5.6413     3.8075     5.4501     6.9596     6.8440 
   C  47    8.2715     4.6921     6.8440     6.9603     5.0027     8.0698 
   C  48    7.9459     5.3780     7.3312     6.5390     4.3977     6.9031 
   C  49    8.1689     6.0995     7.8757     6.7967     4.7726     6.8234 
   C  50    8.7220     4.9985     7.0575     7.5005     5.7306     8.8014 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    2.1655     0.0000 
   C  27    2.8151     4.9806     0.0000 
   C  28    3.3075     5.0000     2.5848     0.0000 
   C  29    4.5057     5.4476     4.7047     2.1625     0.0000 
   C  30    3.2022     1.9217     5.7275     4.8029     4.4494     0.0000 
   C  31    1.5159     0.6496     4.3309     4.4494     5.0871     2.1625 
   C  32    4.3247     6.3458     2.1654     1.8422     3.7632     6.4943 
   C  33    1.2507     2.5014     3.0797     4.3309     5.7275     4.0628 
   C  34    2.5000     1.2508     5.1344     5.7284     6.4943     3.1531 
   C  35    2.1654     2.1667     4.3247     5.4493     6.6138     4.0435 
   C  36    4.3309     5.7284     3.8083     1.2507     1.2471     5.1184 
   C  37    2.6732     0.7609     5.4501     5.1190     5.2536     1.2471 
   C  38    3.9473     6.0951     1.2500     2.5544     4.6881     6.6138 
   C  39    6.7968     6.6566     7.9163     5.5282     3.4392     4.8737 
   C  40    6.4959     5.7281     8.2715     6.2499     4.5087     3.8083 
   C  41    6.9604     5.4485     9.3196     7.8061     6.4964     3.7671 
   C  42    7.9023     8.3628     8.1689     5.5844     3.5289     6.8239 
   C  43    4.9805     7.1460     2.1654     3.7671     5.8591     7.8061 
   C  44    3.6813     1.5158     6.4964     6.3579     6.4668     2.1634 
   C  45    5.4493     6.9598     4.3985     2.1654     2.1634     6.3574 
   C  46    3.3082     3.3096     4.9954     6.4964     7.8061     5.2243 
   C  47    7.6049     6.6150     9.4949     7.5005     5.7306     4.7088 
   C  48    8.0209     7.9022     8.9895     6.5150     4.3621     6.0995 
   C  49    8.5123     8.6751     9.1017     6.5390     4.3977     6.9721 
   C  50    7.8077     6.4958     9.9686     8.1973     6.6165     4.6921 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    5.7284     0.0000 
   C  33    1.9658     4.9954     0.0000 
   C  34    1.4090     6.8202     2.1654     0.0000 
   C  35    1.9257     6.2338     1.2500     1.2507     0.0000 
   C  36    5.2547     2.5544     5.4501     6.6149     6.4964     0.0000 
   C  37    1.2507     6.6149     3.2060     1.9257     2.9257     5.6968 
   C  38    5.4493     1.2507     4.3247     6.3457     5.5720     3.5755 
   C  39    6.6251     7.2022     8.0209     7.9023     8.5123     4.6695 
   C  40    5.8857     8.0698     7.6049     6.9604     7.8077     5.7275 
   C  41    5.8591     9.6403     7.8077     6.4959     7.6049     7.6029 
   C  42    8.1673     6.8235     9.1493     9.5497     9.9038     4.3937 
   C  43    6.4964     2.1666     5.1344     7.2538     6.3457     4.6921 
   C  44    2.1654     7.8067     3.8887     1.9658     3.2060     6.9451 
   C  45    6.4677     2.5848     6.4964     7.8067     7.6045     1.2500 
   C  46    3.1569     7.0570     2.1654     2.1666     1.2507     7.6053 
   C  47    6.8554     9.3196     8.6625     7.8077     8.7522     6.9596 
   C  48    7.8757     8.0823     9.2521     9.1493     9.7616     5.5282 
   C  49    8.5693     7.9163     9.7616     9.9038    10.3972     5.4139 
   C  50    6.8440    10.0380     8.7522     7.6049     8.6625     7.8061 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    6.4964     0.0000 
   C  39    6.0964     8.0823     0.0000 
   C  40    5.0414     8.7220     2.0000     0.0000 
   C  41    4.6881    10.0380     4.5000     2.5000     0.0000 
   C  42    7.9437     7.9459     2.5000     4.5000     7.0000     0.0000 
   C  43    7.6053     1.2507     9.2802     9.9686    11.2776     8.9895 
   C  44    1.2500     7.6045     6.9693     5.6411     4.7047     8.9866 
   C  45    6.9451     3.8083     5.2671     6.6138     8.6598     4.3580 
   C  46    4.0476     6.2338     9.7616     9.0160     8.6625    11.1373 
   C  47    5.8857     9.9686     2.8397     1.2507     2.1654     5.2382 
   C  48    7.3304     9.0501     1.2507     2.8397     5.2382     2.1654 
   C  49    8.1673     8.9895     2.1654     4.0236     6.4664     1.2507 
   C  50    5.7378    10.5696     4.0236     2.1654     1.2507     6.4664 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    8.6618     0.0000 
   C  45    4.7088     8.1939     0.0000 
   C  46    6.8202     4.0668     8.6618     0.0000 
   C  47   11.2161     6.2837     7.8061     9.9245     0.0000 
   C  48   10.2112     8.1673     5.9106    11.0112     3.2500     0.0000 
   C  49   10.0803     9.0993     5.5282    11.6457     4.5000     1.2500 
   C  50   11.8197     5.8857     8.7499     9.7658     1.2500     4.5000 

              C  49      C  50
              ----------------------
   C  49    0.0000 
   C  50    5.7500     0.0000 



ATOMIC CHARGES
   C   1    0.0004976833
   C   2    0.0004976833
   C   3    0.0020772305
   C   4    0.0020772305
   P   5   -0.0094696930
   P   6   -0.0094696930
   C   7    0.0000393186
   C   8    0.0000393186
   C   9    0.0004976994
   C  10    0.0004976994
   C  11    0.0020574521
   C  12    0.0020574521
   C  13    0.0020574521
   C  14    0.0020574521
   C  15    0.0000025497
   C  16    0.0000025497
   C  17    0.0000405853
   C  18    0.0000405853
   C  19    0.0001752996
   C  20    0.0001752996
   C  21    0.0001752996
   C  22    0.0001752996
   C  23    0.0001752996
   C  24    0.0001752996
   C  25    0.0001752996
   C  26    0.0001752996
   C  27   -0.0042155599
   C  28   -0.0042155599
   C  29   -0.0042155599
   C  30   -0.0042155599
   C  31   -0.0042155599
   C  32   -0.0042155599
   C  33   -0.0042155599
   C  34   -0.0042155599
   C  35   -0.0218469803
   C  36   -0.0218469803
   C  37   -0.0218469803
   C  38   -0.0218469803
   C  39    0.0000012829
   C  40    0.0000012829
   C  41    0.0000000324
   C  42    0.0000000324
   C  43    0.0310266959
   C  44    0.0310266959
   C  45    0.0310266959
   C  46    0.0310266959
   C  47    0.0000000162
   C  48    0.0000000162
   C  49    0.0000000002
   C  50    0.0000000002


BOND ANGLES
   2    1    3  Car  Car  Car    119.982
   2    1    7  Car  Car  Car    119.982
   3    1    7  Car  Car  Car    120.035
   1    2    4  Car  Car  Car    119.982
   1    2    8  Car  Car  Car    119.982
   4    2    8  Car  Car  Car    120.035
   1    3    6  Car  Car    P    119.941
   1    3   10  Car  Car  Car    119.982
   6    3   10    P  Car  Car    120.077
   2    4    5  Car  Car    P    119.963
   2    4    9  Car  Car  Car    119.982
   5    4    9    P  Car  Car    120.055
   4    5   11  Car    P  Car    119.963
   4    5   12  Car    P  Car    120.055
  11    5   12  Car    P  Car    119.982
   3    6   13  Car    P  Car    120.077
   3    6   14  Car    P  Car    119.941
  13    6   14  Car    P  Car    119.982
   1    7   16  Car  Car  Car    119.982
   1    7   40  Car  Car  Car    120.037
  16    7   40  Car  Car  Car    119.980
   2    8   15  Car  Car  Car    119.982
   2    8   39  Car  Car  Car    120.037
  15    8   39  Car  Car  Car    119.980
   4    9   18  Car  Car  Car    119.982
   3   10   17  Car  Car  Car    119.982
   5   11   19    P  Car  Car    120.037
   5   11   24    P  Car  Car    119.982
  19   11   24  Car  Car  Car    119.980
   5   12   20    P  Car  Car    120.077
   5   12   21    P  Car  Car    119.982
  20   12   21  Car  Car  Car    119.941
   6   13   22    P  Car  Car    119.982
   6   13   23    P  Car  Car    120.077
  22   13   23  Car  Car  Car    119.941
   6   14   25    P  Car  Car    120.037
   6   14   26    P  Car  Car    119.982
  25   14   26  Car  Car  Car    119.980
   8   15   18  Car  Car  Car    119.982
   8   15   42  Car  Car  Car    119.980
  18   15   42  Car  Car  Car    120.037
   7   16   17  Car  Car  Car    119.982
   7   16   41  Car  Car  Car    119.980
  17   16   41  Car  Car  Car    120.037
  10   17   16  Car  Car  Car    120.035
   9   18   15  Car  Car  Car    120.035
  11   19   27  Car  Car  Car    120.037
  12   20   30  Car  Car  Car    120.077
  12   21   31  Car  Car  Car    119.982
  13   22   28  Car  Car  Car    119.982
  13   23   29  Car  Car  Car    120.077
  11   24   32  Car  Car  Car    119.980
  14   25   33  Car  Car  Car    120.037
  14   26   34  Car  Car  Car    119.980
  19   27   38  Car  Car  Car    119.982
  22   28   36  Car  Car  Car    119.982
  23   29   36  Car  Car  Car    120.077
  20   30   37  Car  Car  Car    120.077
  21   31   37  Car  Car  Car    119.982
  24   32   38  Car  Car  Car    120.037
  25   33   35  Car  Car  Car    119.982
  26   34   35  Car  Car  Car    120.037
  34   35   46  Car  Car   C3    120.035
  33   35   34  Car  Car  Car    119.982
  33   35   46  Car  Car   C3    119.982
  29   36   45  Car  Car   C3    120.077
  28   36   29  Car  Car  Car    119.941
  28   36   45  Car  Car   C3    119.982
  30   37   44  Car  Car   C3    120.077
  30   37   31  Car  Car  Car    119.941
  31   37   44  Car  Car   C3    119.982
  27   38   43  Car  Car   C3    119.982
  27   38   32  Car  Car  Car    119.982
  32   38   43  Car  Car   C3    120.035
   8   39   48  Car  Car  Car    120.037
   7   40   47  Car  Car  Car    120.037
  16   41   50  Car  Car  Car    120.037
  15   42   49  Car  Car  Car    120.037
  40   47   50  Car  Car  Car    119.982
  39   48   49  Car  Car  Car    119.982
  42   49   48  Car  Car  Car    119.982
  41   50   47  Car  Car  Car    119.982


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    7    179.974
   8    2    1    3    179.974
   8    2    1    7      0.026
   6    3    1    2      0.026
   6    3    1    7    179.974
  10    3    1    2    179.974
  10    3    1    7      0.026
   5    4    2    1      0.026
   5    4    2    8    179.974
   9    4    2    1    179.974
   9    4    2    8      0.026
  11    5    4    2    179.974
  11    5    4    9      0.026
  12    5    4    2      0.026
  12    5    4    9    179.974
  13    6    3    1      0.026
  13    6    3   10    179.974
  14    6    3    1    179.974
  14    6    3   10      0.026
  16    7    1    2    179.974
  16    7    1    3      0.026
  40    7    1    2      0.026
  40    7    1    3    179.974
  15    8    2    1    179.974
  15    8    2    4      0.026
  39    8    2    1      0.026
  39    8    2    4    179.974
  18    9    4    2      0.026
  18    9    4    5    179.974
  17   10    3    1      0.026
  17   10    3    6    179.974
  19   11    5    4    179.974
  19   11    5   12      0.026
  24   11    5    4      0.026
  24   11    5   12    179.974
  20   12    5    4      0.026
  20   12    5   11    179.974
  21   12    5    4    179.974
  21   12    5   11      0.026
  22   13    6    3    179.974
  22   13    6   14      0.026
  23   13    6    3      0.026
  23   13    6   14    179.974
  25   14    6    3    179.974
  25   14    6   13      0.026
  26   14    6    3      0.026
  26   14    6   13    179.974
  18   15    8    2      0.026
  18   15    8   39    179.974
  42   15    8    2    179.974
  42   15    8   39      0.026
  17   16    7    1      0.026
  17   16    7   40    179.974
  41   16    7    1    179.974
  41   16    7   40      0.026
  10   17   16    7      0.026
  10   17   16   41    179.974
   9   18   15    8      0.026
   9   18   15   42    179.974
  27   19   11    5    179.974
  27   19   11   24      0.026
  30   20   12    5    179.974
  30   20   12   21      0.026
  31   21   12    5    179.974
  31   21   12   20      0.026
  28   22   13    6    179.974
  28   22   13   23      0.026
  29   23   13    6    179.974
  29   23   13   22      0.026
  32   24   11    5    179.974
  32   24   11   19      0.026
  33   25   14    6    179.974
  33   25   14   26      0.026
  34   26   14    6    179.974
  34   26   14   25      0.026
  38   27   19   11      0.026
  36   28   22   13      0.026
  36   29   23   13      0.026
  37   30   20   12      0.026
  37   31   21   12      0.026
  38   32   24   11      0.026
  35   33   25   14      0.026
  35   34   26   14      0.026
  46   35   34   26    179.974
  33   35   34   26      0.026
  45   36   29   23    179.974
  28   36   29   23      0.026
  44   37   30   20    179.974
  31   37   30   20      0.026
  43   38   27   19    179.974
  32   38   27   19      0.026
  48   39    8    2    179.974
  48   39    8   15      0.026
  47   40    7    1    179.974
  47   40    7   16      0.026
  50   41   16    7      0.026
  50   41   16   17    179.974
  49   42   15    8      0.026
  49   42   15   18    179.974
  50   47   40    7      0.026
  49   48   39    8      0.026
  48   49   42   15      0.026
  47   50   41   16      0.026
  16   17   10    3      0.026
  15   18    9    4      0.026
  40   47   50   41      0.026
  39   48   49   42      0.026
  25   33   35   34      0.026
  25   33   35   46    179.974
  22   28   36   29      0.026
  22   28   36   45    179.974
  24   32   38   27      0.026
  24   32   38   43    179.974
  21   31   37   30      0.026
  21   31   37   44    179.974