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dicyclohexyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane
dicyclohexyl-[2-(2,4,6-triisopropylphenyl)phenyl]phosphane ID: AN-14620
CAS:564483-18-7
Supplier:AN PharmaTech Co Ltd

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SMILES:P(C1CCCCC1)(C1CCCCC1)c1c(c2c(C(C)C)cc(cc2C(C)C)C(C)C)cccc1	11155794
FORMULA: C33H49P
MASS: 476.7159
EXACT MASS: 476.3571882
INTERATOMIC DISTANCES

              P   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   P   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0001     1.7321     0.0000 
   C   4    1.7321     1.0001     2.0000     0.0000 
   C   5    1.7320     1.0000     2.6458     1.7321     0.0000 
   C   6    1.7320     2.6457     0.9999     2.9999     3.4640     0.0000 
   C   7    1.7321     2.0000     1.0000     1.7320     3.0000     1.7320 
   C   8    2.6457     1.7320     3.4641     2.0000     1.0000     4.3588 
   C   9    2.6458     1.7321     3.0000     1.0000     2.0000     3.9999 
   C  10    2.6457     3.4640     1.7320     3.6054     4.3588     1.0000 
   C  11    2.6458     3.0000     1.7320     2.6457     4.0000     1.9999 
   C  12    3.0000     2.0000     3.6056     1.7321     1.7320     4.5825 
   C  13    3.0000     3.6056     2.0000     3.4641     4.5826     1.7320 
   C  14    1.0000     1.7320     1.7321     2.6458     2.0000     2.0000 
   C  15    2.0000     2.6457     2.6458     3.6056     2.6457     2.6458 
   C  16    1.0000     1.0000     2.0000     2.0000     1.0000     2.6457 
   C  17    2.6457     3.4641     3.0000     4.3589     3.6055     2.6458 
   C  18    2.6458     3.0000     3.4642     4.0001     2.6458     3.6056 
   C  19    3.6056     4.3589     4.0001     5.2916     4.3589     3.6057 
   C  20    2.6457     3.6055     2.6458     4.3589     4.0000     2.0001 
   C  21    2.0000     1.7320     3.0000     2.6458     1.0000     3.6055 
   C  22    2.6458     2.6458     3.6056     3.6056     2.0000     4.0000 
   C  23    4.0000     4.5826     4.5826     5.5678     4.3589     4.3590 
   C  24    3.0000     4.0000     2.6458     4.5826     4.5826     1.7322 
   C  25    4.3589     5.1962     4.5827     6.0828     5.2915     4.0001 
   C  26    3.6055     4.5826     3.4641     5.2915     5.0000     2.6459 
   C  27    4.3589     5.2915     4.3589     6.0828     5.5678     3.6056 
   C  28    5.2915     6.2450     5.1962     7.0000     6.5574     4.3590 
   C  29    5.0000     5.5677     5.5678     6.5575     5.2915     5.2916 
   C  30    3.6055     4.0000     4.3590     5.0001     3.6056     4.3590 
   C  31    4.0000     5.0000     3.6056     5.5678     5.5678     2.6459 
   C  32    2.6458     3.6056     2.0000     4.0000     4.3589     1.0001 
   C  33    6.0828     7.0000     6.0828     7.8103     7.2111     5.2916 
   C  34    5.5678     6.5574     5.2915     7.2111     7.0000     4.3590 
   H  35    0.8743     0.6201     1.2347     0.8743     1.6200     2.2145 
   H  36    0.8743     1.8397     0.6201     2.3716     2.6008     0.8743 
   H  37    1.4156     1.0813     1.4332     0.6200     2.0295     2.4266 
   H  38    2.1829     1.5968     2.1943     0.6199     2.3451     3.1670 
   H  39    2.1829     1.5968     3.1513     2.3452     0.6200     3.8917 
   H  40    1.4156     1.0813     2.4060     2.0296     0.6200     3.1021 
   H  41    1.4155     2.4059     1.0812     2.9561     3.1021     0.6200 
   H  42    2.1828     3.1511     1.5966     3.5888     3.8917     0.6200 
   H  43    2.1829     2.1943     1.5967     1.6278     3.1671     2.3450 
   H  44    1.4156     1.4331     1.0812     1.1265     2.4266     2.0295 
   H  45    2.8113     2.0295     2.9560     1.0812     2.5068     3.9398 
   H  46    3.2657     2.3451     3.5889     1.5967     2.5068     4.5874 
   H  47    3.2657     2.3451     4.0761     2.5069     1.5967     4.9779 
   H  48    2.8113     2.0295     3.7220     2.5069     1.0812     4.5428 
   H  49    2.8112     3.7219     2.0294     4.0022     4.5428     1.0812 
   H  50    3.2657     4.0761     2.3450     4.1712     4.9779     1.5967 
   H  51    3.2657     3.5889     2.3451     3.1512     4.5875     2.5068 
   H  52    2.8114     2.9562     2.0295     2.4059     3.9400     2.5068 
   H  53    3.4978     2.5069     4.0024     2.0296     2.3452     4.9968 
   H  54    3.4978     2.5069     4.1713     2.3452     2.0296     5.1331 
   H  55    3.4977     4.1712     2.5067     4.0760     5.1331     2.0295 
   H  56    3.4977     4.0024     2.5068     3.7220     4.9969     2.3451 
   H  57    0.8743     0.3800     1.7733     1.3801     0.8743     2.6008 
   H  58    3.2380     3.6200     4.0131     4.6201     3.2380     4.0601 
   H  59    2.3715     1.8396     3.3533     2.6009     0.8743     4.0600 
   H  60    3.2380     3.1408     4.2101     4.0602     2.3716     4.6200 
   H  61    4.3433     5.0104     4.8213     5.9770     4.8708     4.4727 
   H  62    3.3533     4.3433     2.8292     4.8212     5.0104     1.8398 
   H  63    4.9340     5.7415     5.1928     6.6487     5.7745     4.6201 
   H  64    3.8242     4.8212     3.5192     5.4428     5.3371     2.6010 
   H  65    5.8808     6.8428     5.7415     7.5792     7.1725     4.8709 
   H  66    5.0383     5.5055     5.6973     6.5047     5.1222     5.5256 
   H  67    5.6199     6.1809     6.1810     7.1725     5.8808     5.8809 
   H  68    5.0383     5.6972     5.5055     6.6677     5.5256     5.1222 
   H  69    3.0148     3.4769     3.7437     4.4739     3.1879     3.7437 
   H  70    3.4849     3.7289     4.3319     4.7207     3.2069     4.4727 
   H  71    4.2047     4.5475     4.9754     5.5457     4.0751     4.9754 
   H  72    3.2567     4.2047     2.5558     4.5475     4.9753     1.5680 
   H  73    4.0478     5.0383     3.8024     5.6972     5.5055     2.9084 
   H  74    4.6200     5.6200     4.2101     6.1810     6.1810     3.2381 
   H  75    4.0478     5.0383     3.5086     5.5055     5.6972     2.5122 
   H  76    2.6009     3.4849     1.7732     3.7289     4.3318     0.8744 
   H  77    2.0403     3.0148     1.4956     3.4769     3.7437     0.5574 
   H  78    5.7523     6.6344     5.8450     7.4844     6.7780     5.1223 
   H  79    6.6018     7.4970     6.6487     8.3334     7.6540     5.8810 
   H  80    6.4560     7.3996     6.3723     8.1703     7.6699     5.5257 
   H  81    6.1504     7.1345     5.9015     7.8087     7.5433     4.9754 
   H  82    5.8193     6.8179     5.4428     7.4071     7.3297     4.4727 
   H  83    4.9941     5.9890     4.6842     6.6177     6.4705     3.7438 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    3.6056     0.0000 
   C   9    2.6457     1.7321     0.0000 
   C  10    1.9999     5.1961     4.5825     0.0000 
   C  11    1.0000     4.5826     3.4641     1.7320     0.0000 
   C  12    3.4641     1.0000     1.0001     5.2914     4.3589     0.0000 
   C  13    1.7320     5.2915     4.3589     0.9999     1.0000     5.1962 
   C  14    2.6458     3.0000     3.4641     3.0000     3.4641     3.6055 
   C  15    3.6055     3.6055     4.3589     3.6055     4.3589     4.3589 
   C  16    2.6458     2.0000     2.6458     3.6055     3.6055     2.6457 
   C  17    4.0000     4.5826     5.1962     3.4641     4.5826     5.2915 
   C  18    4.3590     3.4641     4.5827     4.5826     5.1962     4.3589 
   C  19    5.0001     5.2915     6.0828     4.3590     5.5678     6.0828 
   C  20    3.6056     5.0000     5.2915     2.6458     4.0000     5.5678 
   C  21    3.6055     1.7320     3.0000     4.5825     4.5826     2.6457 
   C  22    4.3590     2.6458     4.0001     5.0000     5.2915     3.6056 
   C  23    5.5678     5.1962     6.2450     5.1962     6.2450     6.0828 
   C  24    3.4641     5.5678     5.5678     2.0001     3.6056     6.0000 
   C  25    5.5678     6.2450     6.9283     4.5827     6.0000     7.0000 
   C  26    4.3589     6.0000     6.2450     3.0001     4.5826     6.5574 
   C  27    5.2915     6.5574     7.0000     4.0000     5.5677     7.2111 
   C  28    6.0828     7.5498     7.9373     4.5826     6.2450     8.1853 
   C  29    6.5575     6.0828     7.2111     6.0828     7.2111     7.0000 
   C  30    5.2915     4.3589     5.5678     5.2915     6.0828     5.2915 
   C  31    4.3589     6.5574     6.5574     2.6459     4.3589     7.0000 
   C  32    2.6457     5.2915     5.0000     1.0000     2.6457     5.5678 
   C  33    7.0000     8.1854     8.7178     5.5679     7.2111     8.8882 
   C  34    6.0828     8.0000     8.1854     4.3590     6.0828     8.5440 
   H  35    1.3800     2.2901     1.8397     2.9434     2.3800     2.3716 
   H  36    1.6200     3.5191     3.3533     1.8396     2.2901     3.8242 
   H  37    1.1266     2.5068     1.5967     2.9897     2.0783     2.3451 
   H  38    1.6279     2.5068     1.0812     3.6166     2.3875     2.0295 
   H  39    3.5889     1.0812     2.5069     4.8281     4.5875     2.0295 
   H  40    2.9562     1.5967     2.5069     4.0507     3.9400     2.3451 
   H  41    2.0295     4.0506     3.9399     1.5967     2.5068     4.3997 
   H  42    2.3450     4.8280     4.5874     1.0812     2.5067     5.1244 
   H  43    0.6200     3.6167     2.3874     2.5068     1.0813     3.3038 
   H  44    0.6201     2.9897     2.0782     2.5068     1.5968     2.8555 
   H  45    2.4059     2.3451     0.6199     4.3996     3.1021     1.5968 
   H  46    3.1512     2.0295     0.6200     5.1244     3.8917     1.0813 
   H  47    4.1713     0.6200     2.0296     5.8077     5.1332     1.0813 
   H  48    4.0024     0.6200     2.3452     5.4394     4.9969     1.5968 
   H  49    2.5067     5.4394     4.9967     0.6199     2.3450     5.6349 
   H  50    2.5068     5.8077     5.1331     0.6200     2.0295     5.8749 
   H  51    1.5968     5.1245     3.8917     2.0294     0.6200     4.8282 
   H  52    1.0813     4.3998     3.1022     2.3450     0.6200     4.0507 
   H  53    3.7221     1.5968     1.0813     5.6350     4.5430     0.6201 
   H  54    4.0762     1.0813     1.5968     5.8749     4.9780     0.6200 
   H  55    2.3451     5.8749     4.9779     1.0812     1.5967     5.8077 
   H  56    2.0295     5.6350     4.5429     1.5967     1.0812     5.4395 
   H  57    2.2146     1.7732     2.0699     3.4848     3.2070     2.2146 
   H  58    4.9340     4.0130     5.1928     5.0104     5.7415     4.9340 
   H  59    3.8242     1.2346     2.7431     5.0104     4.8212     2.2145 
   H  60    4.9340     2.8292     4.3434     5.6200     5.8809     3.8242 
   H  61    5.8194     5.7415     6.7056     5.2331     6.4222     6.6018 
   H  62    3.5191     5.9770     5.8193     1.7733     3.4849     6.3328 
   H  63    6.1810     6.7056     7.4716     5.1928     6.6200     7.4970 
   H  64    4.3318     6.3328     6.4222     2.7432     4.4187     6.8179 
   H  65    6.6018     8.1660     8.5255     5.0105     6.7055     8.7923 
   H  66    6.6677     5.8449     7.0878     6.3723     7.3846     6.7943 
   H  67    7.1725     6.6486     7.8144     6.6486     7.8143     7.5792 
   H  68    6.5047     6.3723     7.3846     5.8449     7.0878     7.2530 
   H  69    4.6842     4.0203     5.1005     4.6842     5.4651     4.9080 
   H  70    5.2101     3.8787     5.2005     5.4428     6.0634     4.8399 
   H  71    5.9015     4.7546     6.0625     5.9015     6.7009     5.7166 
   H  72    3.0874     5.9015     5.5456     1.1766     2.9083     6.1504 
   H  73    4.6403     6.5047     6.6677     3.0875     4.7546     7.0274 
   H  74    4.9340     7.1725     7.1725     3.1409     4.8708     7.6200 
   H  75    4.1517     6.6677     6.5047     2.2885     4.0203     7.0274 
   H  76    2.2146     5.2100     4.7206     0.3801     2.0699     5.3763 
   H  77    2.2884     4.6842     4.4739     1.1766     2.5121     4.9942 
   H  78    6.7944     7.7374     8.3632     5.5056     7.0878     8.4775 
   H  79    7.5792     8.6142     9.2231     6.1811     7.8144     9.3512 
   H  80    7.2530     8.6545     9.1010     5.6973     7.3846     9.3221 
   H  81    6.7008     8.5425     8.7777     4.9754     6.7008     9.1131 
   H  82    6.1648     8.3273     8.3955     4.3319     6.0634     8.8161 
   H  83    5.4651     7.4695     7.5974     3.7438     5.4651     7.9825 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.6055     0.0000 
   C  15    4.3589     1.0000     0.0000 
   C  16    4.0000     1.0000     1.7320     0.0000 
   C  17    4.3589     1.7320     1.0000     2.6457     0.0000 
   C  18    5.2915     1.7321     1.0001     2.0000     1.7321     0.0000 
   C  19    5.2915     2.6458     1.7321     3.4641     1.0001     2.0000 
   C  20    3.6055     2.0000     1.7320     3.0000     1.0000     2.6458 
   C  21    5.0000     1.7320     2.0000     1.0000     3.0000     1.7321 
   C  22    5.5678     2.0000     1.7321     1.7321     2.6458     1.0000 
   C  23    6.0828     3.0000     2.0000     3.6056     1.7321     1.7320 
   C  24    3.0000     2.6457     2.6457     3.6055     2.0000     3.6056 
   C  25    5.5678     3.4641     2.6458     4.3589     1.7321     3.0000 
   C  26    4.0000     3.0000     2.6457     4.0000     1.7320     3.4641 
   C  27    5.0000     3.6055     3.0000     4.5826     2.0000     3.6056 
   C  28    5.5677     4.5826     4.0000     5.5678     3.0000     4.5826 
   C  29    7.0000     4.0000     3.0000     4.5826     2.6458     2.6457 
   C  30    6.0828     2.6458     1.7321     3.0000     2.0000     1.0000 
   C  31    3.6056     3.6055     3.4641     4.5826     2.6457     4.3589 
   C  32    2.0000     2.6458     3.0000     3.4641     2.6458     4.0001 
   C  33    6.5575     5.2915     4.5826     6.2450     3.6056     5.0000 
   C  34    5.2915     5.0000     4.5826     6.0000     3.6055     5.2915 
   H  35    3.0074     1.8397     2.8292     1.4158     3.5192     3.3533 
   H  36    2.3716     1.2347     2.0698     1.7732     2.3800     2.9436 
   H  37    2.8556     2.4059     3.4019     1.9884     4.0507     3.9400 
   H  38    3.3039     3.1512     4.1346     2.5913     4.8281     4.5875 
   H  39    5.1245     2.1944     2.6202     1.2648     3.6167     2.3875 
   H  40    4.3998     1.4332     2.0258     0.4682     2.9898     2.0783 
   H  41    2.3451     1.4332     2.0258     2.1997     2.0783     2.9899 
   H  42    2.0294     2.1943     2.6202     2.9967     2.3875     3.6168 
   H  43    2.0296     3.1512     4.1346     2.9967     4.5875     4.8282 
   H  44    2.3452     2.4059     3.4019     2.1996     3.9399     4.0507 
   H  45    4.0506     3.7220     4.6693     3.0114     5.4394     4.9969 
   H  46    4.8281     4.0761     4.9562     3.2325     5.8077     5.1332 
   H  47    5.8749     3.5889     4.1346     2.5913     5.1245     3.8917 
   H  48    5.6350     2.9561     3.4019     1.9884     4.3997     3.1021 
   H  49    1.5966     2.9560     3.4019     3.6997     3.1022     4.3998 
   H  50    1.0812     3.5888     4.1346     4.2225     3.8917     5.1245 
   H  51    1.0812     4.0761     4.9563     4.2226     5.1331     5.8078 
   H  52    1.5967     3.7221     4.6694     3.6998     4.9969     5.4396 
   H  53    5.4395     4.1713     4.9563     3.2326     5.8750     4.9780 
   H  54    5.8078     4.0024     4.6695     3.0115     5.6351     4.5430 
   H  55    0.6200     4.0023     4.6693     4.4926     4.5429     5.6350 
   H  56    0.6200     4.1713     4.9563     4.4927     4.9779     5.8750 
   H  57    3.7289     1.4158     2.2900     0.6200     3.1407     2.6200 
   H  58    5.7745     2.2901     1.4158     2.6200     1.8397     0.6200 
   H  59    5.3371     2.2901     2.6200     1.4158     3.6200     2.2901 
   H  60    6.1810     2.6200     2.2901     2.2901     3.1408     1.4158 
   H  61    6.1648     3.3533     2.3716     4.0601     1.8397     2.2901 
   H  62    2.7430     3.1408     3.2380     4.0601     2.6200     4.2101 
   H  63    6.1810     4.0130     3.1408     4.8708     2.2901     3.3533 
   H  64    3.7289     3.3533     3.1407     4.3433     2.2900     4.0130 
   H  65    5.9770     5.1927     4.6200     6.1810     3.6200     5.1927 
   H  66    7.2530     4.0478     3.0634     4.5067     2.9083     2.5121 
   H  67    7.5792     4.6200     3.6200     5.1927     3.2380     3.2379 
   H  68    6.7943     4.0477     3.0634     4.7390     2.5121     2.9083 
   H  69    5.4651     2.0403     1.1121     2.4825     1.4956     0.5572 
   H  70    6.1648     2.6009     1.8397     2.7431     2.3716     0.8743 
   H  71    6.7009     3.2567     2.3521     3.5505     2.5559     1.5679 
   H  72    2.0938     3.2567     3.5505     4.0841     3.0874     4.5476 
   H  73    4.0751     3.5086     3.1995     4.5067     2.2883     4.0203 
   H  74    4.0601     4.2100     4.0130     5.1927     3.1407     4.8708 
   H  75    3.1879     3.8024     3.8121     4.7390     3.0874     4.7546 
   H  76    1.3800     2.8292     3.3533     3.5192     3.1408     4.3434 
   H  77    2.0939     2.0404     2.4825     2.8442     2.2884     3.4770 
   H  78    6.5047     4.9081     4.1339     5.8323     3.1880     4.4739 
   H  79    7.1725     5.7745     5.0104     6.7056     4.0601     5.3371 
   H  80    6.6677     5.7166     5.0675     6.6898     4.0750     5.5456 
   H  81    5.9015     5.5456     5.0675     6.5442     4.0750     5.7166 
   H  82    5.2100     5.3371     5.0104     6.3328     4.0601     5.7745 
   H  83    4.6842     4.4739     4.1339     5.4719     3.1879     4.9081 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.7321     0.0000 
   C  21    3.6056     3.6055     0.0000 
   C  22    3.0000     3.4641     1.0001     0.0000 
   C  23    1.0000     2.6458     3.4641     2.6457     0.0000 
   C  24    2.6458     1.0000     4.3589     4.3589     3.6055     0.0000 
   C  25    1.0000     2.0000     4.5826     4.0000     1.7320     2.6458 
   C  26    2.0000     1.0000     4.5826     4.3589     3.0000     1.0000 
   C  27    1.7321     1.7320     5.0000     4.5826     2.6458     2.0000 
   C  28    2.6458     2.6457     6.0000     5.5678     3.4641     2.6457 
   C  29    1.7320     3.4641     4.3589     3.4641     1.0000     4.3589 
   C  30    1.7320     3.0000     2.6458     1.7320     1.0000     4.0000 
   C  31    3.0000     1.7320     5.2915     5.1962     4.0000     1.0000 
   C  32    3.4642     1.7321     4.3589     4.5827     4.3590     1.0001 
   C  33    3.0000     3.4641     6.5574     6.0000     3.6055     3.6056 
   C  34    3.4641     3.0000     6.5574     6.2450     4.3589     2.6457 
   H  35    4.4727     3.4849     2.2901     3.1409     4.8213     3.7289 
   H  36    3.3800     2.0699     2.7430     3.2070     3.9755     2.2146 
   H  37    5.0193     3.9317     2.8113     3.6998     5.3984     4.0630 
   H  38    5.7859     4.7287     3.2656     4.2226     6.1177     4.8385 
   H  39    4.2580     4.1528     0.6592     1.5763     4.1189     4.8385 
   H  40    3.7402     3.4240     0.6591     1.5763     3.7688     4.0630 
   H  41    3.0611     1.5763     3.1102     3.4240     3.7689     1.6279 
   H  42    3.2789     1.5764     3.8981     4.1528     4.1190     1.1268 
   H  43    5.5867     4.2226     3.8981     4.7288     6.1177     4.0762 
   H  44    4.9303     3.6998     3.1101     3.9317     5.3984     3.7221 
   H  45    6.3669     5.4242     3.4977     4.4927     6.6108     5.5908 
   H  46    6.6843     5.9114     3.4977     4.4927     6.8165     6.1774 
   H  47    5.7858     5.5866     2.1828     2.9967     5.6148     6.1774 
   H  48    5.0192     4.9303     1.4155     2.1997     4.8210     5.5908 
   H  49    3.9318     2.1997     4.6338     4.9303     4.8211     1.4333 
   H  50    4.7288     2.9967     5.1956     5.5866     5.6148     2.1944 
   H  51    6.1074     4.4927     5.1957     5.9115     6.8165     4.0024 
   H  52    5.9933     4.4927     4.6339     5.4244     6.6109     4.1713 
   H  53    6.6844     6.1074     3.2657     4.2227     6.7005     6.4873 
   H  54    6.3670     5.9933     2.8114     3.6998     6.2748     6.4873 
   H  55    5.4243     3.6997     5.4894     5.9932     6.2747     2.9561 
   H  56    5.9115     4.2226     5.4894     6.1074     6.7004     3.5889 
   H  57    4.0130     3.3533     1.4157     2.2901     4.2100     3.8242 
   H  58    1.7732     2.8292     2.2901     1.4158     1.2347     3.8242 
   H  59    4.2101     4.2100     0.6200     1.4158     4.0131     4.9340 
   H  60    3.3533     4.0130     1.4158     0.6200     2.8292     4.9340 
   H  61    0.8743     2.6009     4.0131     3.2380     0.6200     3.4849 
   H  62    3.2380     1.6200     4.8708     4.9341     4.2101     0.6201 
   H  63    1.4158     2.6200     5.0104     4.3433     1.8397     3.2380 
   H  64    2.6200     1.4158     5.0104     4.8708     3.6200     0.8743 
   H  65    3.2380     3.2380     6.6200     6.1810     4.0131     3.1407 
   H  66    2.1114     3.8121     4.1517     3.1995     1.1766     4.7545 
   H  67    2.2900     4.0130     4.9340     4.0130     1.6199     4.8707 
   H  68    1.5200     3.1995     4.6403     3.8121     1.1766     4.0203 
   H  69    1.5200     2.4825     2.2884     1.5200     1.1766     3.4769 
   H  70    2.2901     3.3533     2.2146     1.2346     1.6200     4.3433 
   H  71    2.1114     3.5505     3.0875     2.1114     1.1766     4.5475 
   H  72    3.8122     2.1115     4.9753     5.1725     4.7546     1.1767 
   H  73    2.4825     1.5200     5.1222     4.9156     3.4769     1.1766 
   H  74    3.3533     2.2901     5.8808     5.7415     4.3433     1.6200 
   H  75    3.5505     2.1114     5.5256     5.5323     4.5475     1.1766 
   H  76    4.0131     2.2901     4.4726     4.8213     4.8708     1.6200 
   H  77    3.1996     1.5201     3.7437     4.0020     4.0204     1.1766 
   H  78    2.4825     3.1995     6.0780     5.4719     3.0148     3.5087 
   H  79    3.3533     4.0130     6.9530     6.3328     3.8242     4.2100 
   H  80    3.5505     3.8121     7.0588     6.5442     4.2047     3.8024 
   H  81    3.8121     3.5505     7.0588     6.6898     4.6403     3.2566 
   H  82    4.0130     3.3533     6.9530     6.7056     4.9340     2.8292 
   H  83    3.1995     2.4825     6.0780     5.8323     4.1517     2.0403 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.7321     0.0000 
   C  27    1.0001     1.0000     0.0000 
   C  28    1.7321     1.7320     1.0000     0.0000 
   C  29    2.0000     3.6055     3.0000     3.6056     0.0000 
   C  30    2.6457     3.6056     3.4641     4.3589     1.7320     0.0000 
   C  31    2.6458     1.0000     1.7320     2.0000     4.5826     4.5826 
   C  32    3.6056     2.0000     3.0000     3.6056     5.1962     4.5826 
   C  33    2.0000     2.6458     1.7321     1.0001     3.4641     4.5826 
   C  34    2.6458     2.0000     1.7320     1.0000     4.5826     5.1962 
   H  35    5.2331     4.4187     5.2100     6.1257     5.8193     4.3434 
   H  36    3.9755     2.9435     3.7979     4.6695     4.9562     3.7980 
   H  37    5.7470     4.8263     5.6637     6.5507     6.3974     4.9303 
   H  38    6.5339     5.6193     6.4608     7.3455     7.1127     5.5866 
   H  39    5.2294     5.1441     5.6135     6.6126     5.0016     3.2788 
   H  40    4.6716     4.4225     4.9607     5.9534     4.7174     3.0610 
   H  41    3.5476     2.3875     3.2788     4.1189     4.7175     3.7402 
   H  42    3.5477     2.0785     3.0611     3.7690     5.0017     4.2581 
   H  43    6.1775     4.9780     5.9115     6.7004     7.1128     5.7859 
   H  44    5.5909     4.5430     5.4243     6.2748     6.3974     5.0192 
   H  45    7.1640     6.3409     7.1524     8.0586     7.5929     5.9932 
   H  46    7.5396     6.8637     7.6197     8.5572     7.7726     6.1073 
   H  47    6.7558     6.5860     7.1127     8.1090     6.4607     4.7287 
   H  48    5.9981     5.9239     6.3974     7.3967     5.6637     3.9316 
   H  49    4.0632     2.4268     3.4241     3.9717     5.6638     5.0193 
   H  50    4.8385     3.1671     4.1528     4.6147     6.4607     5.7858 
   H  51    6.4872     4.9969     5.9932     6.6108     7.7727     6.6843 
   H  52    6.4873     5.1332     6.1073     6.8165     7.5930     6.3670 
   H  53    7.5915     7.0887     7.7727     8.7387     7.6198     5.9115 
   H  54    7.3136     6.9906     7.5930     8.5793     7.1525     5.4243 
   H  55    5.5909     3.9399     4.9302     5.3983     7.1524     6.3669 
   H  56    6.1775     4.5875     5.5866     6.1177     7.6197     6.6843 
   H  57    4.8708     4.3433     5.0104     5.9770     5.1927     3.6200 
   H  58    2.7431     3.5192     3.4849     4.4187     2.0699     0.3800 
   H  59    5.1927     5.1927     5.6200     6.6200     4.8708     3.1408 
   H  60    4.3433     4.8708     5.0104     5.9770     3.5191     1.8397 
   H  61    1.2346     2.7431     2.2146     2.9436     0.8743     1.6200 
   H  62    3.1409     1.4158     2.3716     2.8292     4.9340     4.6201 
   H  63    0.6200     2.2901     1.4158     1.8397     1.7732     2.8292 
   H  64    2.2901     0.6200     1.4157     1.8396     4.2100     4.2100 
   H  65    2.2901     2.2901     1.6200     0.6200     4.0601     4.9340 
   H  66    2.5557     4.0750     3.5505     4.2047     0.6200     1.5200 
   H  67    2.3715     4.0601     3.3533     3.8242     0.6200     2.2900 
   H  68    1.4955     3.1879     2.4825     3.0148     0.6200     2.1114 
   H  69    2.5121     3.1879     3.1995     4.1517     2.1114     0.6200 
   H  70    3.2380     4.0601     4.0131     4.9340     2.2901     0.6200 
   H  71    2.9083     4.0751     3.8121     4.6403     1.5200     0.6200 
   H  72    3.8025     2.0940     3.0634     3.5087     5.5323     5.0676 
   H  73    2.0403     0.5572     1.1120     1.4955     4.0019     4.1339 
   H  74    2.8292     1.4158     1.8396     1.7732     4.8212     5.0104 
   H  75    3.2567     1.5679     2.3520     2.5558     5.1724     5.0675 
   H  76    4.2101     2.6200     3.6200     4.2100     5.7415     5.0105 
   H  77    3.5087     2.0939     3.0634     3.8024     4.9156     4.1340 
   H  78    1.4956     2.5121     1.5201     1.1767     2.8441     4.0019 
   H  79    2.3716     3.2380     2.2901     1.6200     3.5191     4.8212 
   H  80    2.5558     2.9083     2.1114     1.1766     4.0840     5.1724 
   H  81    2.9083     2.5558     2.1114     1.1766     4.7390     5.5322 
   H  82    3.2380     2.3716     2.2900     1.6199     5.1927     5.7415 
   H  83    2.5121     1.4956     1.5200     1.1766     4.5067     4.9156 

              C  31      C  32      C  33      C  34      H  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.7321     0.0000 
   C  33    3.0000     4.5827     0.0000 
   C  34    1.7320     3.4641     1.7321     0.0000 
   H  35    4.7206     3.2069     6.9387     6.3470     0.0000 
   H  36    3.2069     1.7733     5.5285     4.8399     1.5143     0.0000 
   H  37    5.0342     3.4240     7.3958     6.7054     0.5869     1.8828 
   H  38    5.7988     4.1528     8.1928     7.4838     1.3134     2.6762 
   H  39    5.7988     4.7288     7.1956     7.1339     2.2129     3.0176 
   H  40    5.0342     3.9317     6.5950     6.4209     1.6310     2.2280 
   H  41    2.6202     1.2648     5.0016     4.2580     2.1012     0.5869 
   H  42    2.0260     0.4682     4.7176     3.7403     2.7750     1.3133 
   H  43    4.9563     3.2326     7.6198     6.6843     1.6080     2.2128 
   H  44    4.6695     3.0115     7.1525     6.3670     0.8250     1.6310 
   H  45    6.5606     4.9302     8.8821     8.2326     1.9444     3.4017 
   H  46    7.1642     5.5866     9.3368     8.8000     2.4530     3.9640 
   H  47    7.1642     5.9115     8.7162     8.5852     2.8867     4.1391 
   H  48    6.5606     5.4243     7.9716     7.9159     2.6367     3.6763 
   H  49    2.0260     0.4682     4.9609     3.7403     3.2635     1.9444 
   H  50    2.6202     1.2647     5.6135     4.2580     3.5435     2.4530 
   H  51    4.6694     3.0114     7.5930     6.3669     2.9702     2.8867 
   H  52    4.9563     3.2325     7.7727     6.6843     2.3529     2.6368 
   H  53    7.4856     5.9933     9.4621     9.0637     2.7884     4.2856 
   H  54    7.4856     6.1074     9.2406     8.9872     2.9379     4.3463 
   H  55    3.4019     1.9883     6.3974     5.0192     3.5853     2.7883 
   H  56    4.1347     2.5913     7.1128     5.7859     3.3873     2.9379 
   H  57    4.8212     3.5192     6.7056     6.3328     0.8744     1.7486 
   H  58    4.4726     4.3434     4.7206     5.2100     3.9666     3.4641 
   H  59    5.8808     4.8708     7.1725     7.1725     2.4522     3.1864 
   H  60    5.7415     5.1928     6.3328     6.7056     3.6740     3.8242 
   H  61    3.7289     4.3319     3.0074     3.8787     5.1928     4.2029 
   H  62    0.8743     0.8743     3.8243     2.6009     4.0000     2.5086 
   H  63    3.1408     4.2101     1.7732     2.8292     5.8081     4.5826 
   H  64    0.3800     1.7733     2.8292     1.7732     4.5826     3.0714 
   H  65    2.3715     4.0601     0.8744     0.8743     6.7056     5.2330 
   H  66    5.0675     5.5323     4.0840     5.1724     5.8173     5.1012 
   H  67    5.0104     5.7415     3.5191     4.8212     6.4384     5.5677 
   H  68    4.1339     4.9156     2.8441     4.0019     5.8870     4.8862 
   H  69    4.1339     4.0019     4.5067     4.9156     3.7799     3.1789 
   H  70    5.0104     4.8213     5.1927     5.7415     4.1417     3.8175 
   H  71    5.0675     5.1725     4.7390     5.5323     4.9204     4.4173 
   H  72    1.5201     0.6200     4.5068     3.1995     3.7813     2.3825 
   H  73    0.6200     2.1115     2.4825     1.5200     4.8306     3.3282 
   H  74    0.6200     2.2901     2.7431     1.2346     5.3371     3.8242 
   H  75    0.6200     1.5201     3.5505     2.1114     4.6907     3.2032 
   H  76    2.2901     0.6200     5.1928     4.0130     3.0074     1.7486 
   H  77    2.1114     0.6200     4.7391     3.8121     2.6532     1.1752 
   H  78    3.0634     4.5068     0.6200     2.1115     6.6201     5.2657 
   H  79    3.6200     5.1928     0.6200     2.2901     7.4655     6.0828 
   H  80    3.0634     4.7391     0.6200     1.5201     7.2961     5.8455 
   H  81    2.3520     4.0841     1.5201     0.6200     6.9416     5.4393 
   H  82    1.8397     3.5192     2.2901     0.6200     6.5574     5.0431 
   H  83    1.1121     2.8442     2.1115     0.6200     5.7578     4.2464 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.7971     0.0000 
   H  39    2.6463     2.9532     0.0000 
   H  40    2.1562     2.6463     0.7971     0.0000 
   H  41    2.4518     3.2390     3.4641     2.6671     0.0000 
   H  42    3.0297     3.7808     4.2612     3.4641     0.7970     0.0000 
   H  43    1.1417     1.3079     3.7809     3.2391     2.6463     2.9531 
   H  44    0.5108     1.1417     3.0298     2.4518     2.1561     2.6462 
   H  45    1.5278     0.7846     3.0556     2.9499     3.9767     4.5498 
   H  46    2.1652     1.5278     2.9499     3.0557     4.5499     5.1825 
   H  47    3.0557     2.9499     1.5278     2.1652     4.6694     5.4478 
   H  48    2.9499     3.0556     0.7846     1.5278     4.1621     4.9562 
   H  49    3.4018     4.0850     4.9562     4.1621     1.5278     0.7846 
   H  50    3.5518     4.1347     5.4479     4.6694     2.1652     1.5278 
   H  51    2.6202     2.8121     5.1827     4.5500     3.0556     2.9497 
   H  52    1.9228     2.0259     4.5500     3.9769     2.9499     3.0556 
   H  53    2.6463     2.1561     2.6464     2.9533     4.8694     5.5634 
   H  54    2.9532     2.6463     2.1562     2.6464     4.9110     5.6563 
   H  55    3.4641     3.9238     5.6563     4.9110     2.6462     2.1560 
   H  56    3.1423     3.4641     5.5635     4.8694     2.9532     2.6462 
   H  57    1.4113     1.9741     1.3975     0.7567     2.2786     3.0550 
   H  58    4.5535     5.2069     2.9318     2.6860     3.4401     3.9971 
   H  59    2.8966     3.2086     0.2557     0.9598     3.6089     4.4048 
   H  60    4.2145     4.6801     1.8403     2.0597     4.0430     4.7670 
   H  61    5.7572     6.5026     4.6716     4.2669     3.9170     4.1531 
   H  62    4.2619     5.0067     5.3140     4.5254     1.9383     1.2331 
   H  63    6.3323     7.1147     5.6658     5.1555     4.1642     4.1643 
   H  64    4.9324     5.7107     5.5379     4.7864     2.4874     1.9877 
   H  65    7.1158     7.9079     7.2322     6.5700     4.6716     4.2670 
   H  66    6.4027     7.0827     4.7706     4.5810     4.9288     5.2955 
   H  67    7.0170     7.7303     5.5687     5.3150     5.3151     5.5688 
   H  68    6.4520     7.1963     5.2954     4.9287     4.5810     4.7706 
   H  69    4.3658     5.0466     2.9445     2.6068     3.1243     3.6619 
   H  70    4.7239     5.3255     2.8109     2.7159     3.8549     4.4562 
   H  71    5.5068     6.1418     3.6877     3.5655     4.3573     4.8603 
   H  72    3.9555     4.6543     5.3487     4.5517     1.8847     1.0878 
   H  73    5.2023     5.9868     5.6727     4.9387     2.7507     2.3022 
   H  74    5.6414     6.4004     6.4004     5.6414     3.2378     2.6204 
   H  75    4.9387     5.6727     5.9868     5.2023     2.6331     1.9178 
   H  76    3.1243     3.7984     4.7660     3.9764     1.3975     0.7566 
   H  77    2.9274     3.6875     4.1088     3.3118     0.6451     0.1545 
   H  78    7.1042     7.8994     6.7249     6.1587     4.7706     4.5812 
   H  79    7.9378     8.7344     7.6008     7.0348     5.5688     5.3152 
   H  80    7.7262     8.5213     7.6876     7.0588     5.2955     4.9289 
   H  81    7.3105     8.0917     7.6505     6.9550     4.8602     4.3574 
   H  82    6.8730     7.6343     7.5059     6.7690     4.4562     3.8550 
   H  83    6.1033     6.8780     6.6350     5.9036     3.6618     3.1245 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.7971     0.0000 
   H  45    2.0258     1.9226     0.0000 
   H  46    2.8120     2.6201     0.7971     0.0000 
   H  47    4.1347     3.5518     2.6463     2.1562     0.0000 
   H  48    4.0851     3.4019     2.9532     2.6463     0.7971     0.0000 
   H  49    3.0556     2.9498     4.8692     5.5633     6.0581     5.6201 
   H  50    2.9499     3.0557     4.9109     5.6563     6.4173     6.0582 
   H  51    1.5279     2.1653     3.4641     4.2612     5.6564     5.5635 
   H  52    0.7848     1.5279     2.6671     3.4641     4.9111     4.8694 
   H  53    3.4641     3.1423     1.5278     0.7847     1.5279     2.1653 
   H  54    3.9238     3.4641     2.1652     1.5278     0.7848     1.5279 
   H  55    2.6463     2.9532     4.6694     5.4479     6.4651     6.1968 
   H  56    2.1562     2.6464     4.1621     4.9562     6.1969     6.0229 
   H  57    2.4824     1.6960     2.4009     2.6730     2.3928     1.9546 
   H  58    5.4201     4.6496     5.6144     5.7361     4.4026     3.6062 
   H  59    4.0287     3.2724     3.3002     3.1679     1.6021     0.8134 
   H  60    5.2762     4.4810     4.8755     4.7870     3.0652     2.2922 
   H  61    6.3937     5.7093     7.0380     7.2905     6.1816     5.3920 
   H  62    4.1068     3.8679     5.7792     6.4155     6.5935     6.0474 
   H  63    6.7888     6.1910     7.7289     8.0783     7.1930     6.4202 
   H  64    4.9408     4.5962     6.4598     7.0348     6.9332     6.3076 
   H  65    7.2159     6.8225     8.6309     9.1450     8.7271     8.0164 
   H  66    7.1963     6.4520     7.5089     7.6261     6.1763     5.3831 
   H  67    7.7303     7.0169     8.2040     8.3706     7.0056     6.2096 
   H  68    7.0827     6.4027     7.7259     7.9649     6.7900     5.9955 
   H  69    5.1888     4.4303     5.4933     5.6614     4.4482     3.6576 
   H  70    5.6597     4.8732     5.6653     5.7115     4.2051     3.4111 
   H  71    6.3873     5.6148     6.5138     6.5815     5.0699     4.2786 
   H  72    3.6393     3.5154     5.4375     6.1203     6.5215     6.0426 
   H  73    5.2528     4.8828     6.7273     7.2833     7.0974     6.4494 
   H  74    5.5225     5.2666     7.1661     7.7777     7.7777     7.1661 
   H  75    4.7231     4.5315     6.4494     7.0974     7.2833     6.7273 
   H  76    2.7625     2.6659     4.5829     5.2826     5.8272     5.4120 
   H  77    2.9023     2.5590     4.4516     5.0726     5.3037     4.8064 
   H  78    7.4136     6.8967     8.5631     8.9790     8.2512     7.4934 
   H  79    8.1993     7.7116     9.4098     9.8401     9.1274     8.3683 
   H  80    7.8695     7.4512     9.2317     9.7209     9.1994     8.4682 
   H  81    7.3033     6.9787     8.8367     9.3939     9.1200     8.4346 
   H  82    6.7492     6.5012     8.3987     9.0033     8.9241     8.2822 
   H  83    6.0655     5.7570     7.6311     8.2100     8.0626     7.4128 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    0.7970     0.0000 
   H  51    2.6461     2.1561     0.0000 
   H  52    2.9531     2.6463     0.7971     0.0000 
   H  53    6.0228     6.1969     4.9563     4.1622     0.0000 
   H  54    6.1968     6.4651     5.4480     4.6695     0.7971     0.0000 
   H  55    1.5277     0.7846     1.5278     2.1652     6.0582     6.4173 
   H  56    2.1651     1.5278     0.7846     1.5278     5.6203     6.0583 
   H  57    3.6816     4.1037     3.8113     3.2225     2.7626     2.6659 
   H  58    4.7686     5.5225     6.3469     6.0118     5.5541     5.0843 
   H  59    5.1152     5.6292     5.4197     4.7953     2.8250     2.2846 
   H  60    5.5460     6.2062     6.5002     5.9895     4.4259     3.8198 
   H  61    4.7999     5.5966     6.9696     6.8316     7.2159     6.8225 
   H  62    1.1542     1.7992     3.8001     4.0838     6.7864     6.8492 
   H  63    4.6638     5.4322     7.1061     7.1062     8.0968     7.7820 
   H  64    2.1324     2.7987     4.7719     5.0008     7.3213     7.2853 
   H  65    4.3921     4.9811     7.0380     7.2905     9.3412     9.1922 
   H  66    5.9956     6.7900     7.9650     7.7261     7.4136     6.8967 
   H  67    6.2097     7.0056     8.3706     8.2041     8.1993     7.7116 
   H  68    5.3831     6.1763     7.6260     7.5089     7.8695     7.4512 
   H  69    4.4304     5.1887     6.0655     5.7570     5.5264     5.0997 
   H  70    5.2351     5.9741     6.6767     6.2913     5.4572     4.9253 
   H  71    5.6148     6.3873     7.3033     6.9788     6.3341     5.7974 
   H  72    0.5837     1.1077     3.1674     3.5216     6.5582     6.6996 
   H  73    2.4785     3.1451     5.1153     5.3323     7.5441     7.4783 
   H  74    2.5259     3.0234     5.1375     5.4783     8.1048     8.1048 
   H  75    1.6839     2.1466     4.2672     4.6330     7.4783     7.5441 
   H  76    0.2931     0.7814     2.4009     2.6730     5.7534     5.9445 
   H  77    0.9308     1.6556     2.9788     3.0440     5.4404     5.5212 
   H  78    4.9177     5.6196     7.5090     7.6261     9.0629     8.8034 
   H  79    5.5760     6.2329     8.2041     8.3707     9.9347     9.6799 
   H  80    5.0799     5.6756     7.7260     7.9650     9.8841     9.6978 
   H  81    4.3574     4.8602     6.9787     7.3033     9.6413     9.5436 
   H  82    3.7267     4.1440     6.2913     6.6767     9.3135     9.2853 
   H  83    3.1245     3.6618     5.7570     6.0655     8.4919     8.4396 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    0.7971     0.0000 
   H  57    4.2687     4.1673     0.0000 
   H  58    6.0798     6.3704     3.2400     0.0000 
   H  59    5.8600     5.7866     1.6199     2.8059     0.0000 
   H  60    6.6115     6.7151     2.8059     1.6200     1.6200     0.0000 
   H  61    6.2972     6.7848     4.6468     1.8397     4.5801     3.4458 
   H  62    2.5833     3.2887     4.2101     4.4422     5.4271     5.5189 
   H  63    6.1910     6.7888     5.4053     3.0000     5.6083     4.6200 
   H  64    3.5831     4.2850     4.6200     4.1077     5.6083     5.4053 
   H  65    5.7571     6.5026     6.5813     5.0104     7.2400     6.5813 
   H  66    7.4512     7.8695     5.1259     1.8960     4.6147     3.1552 
   H  67    7.7115     8.1992     5.8049     2.6457     5.4271     4.0130 
   H  68    6.8965     7.4135     5.3312     2.3963     5.1887     3.9474 
   H  69    5.7569     6.0655     3.0986     0.3475     2.8463     1.8332 
   H  70    6.5011     6.7491     3.3533     0.5415     2.6458     1.2347 
   H  71    6.9787     7.3033     4.1685     0.9679     3.5209     2.0437 
   H  72    1.8923     2.6146     4.1309     4.8523     5.4903     5.7779 
   H  73    3.9296     4.6324     4.8188     4.0622     5.7290     5.4278 
   H  74    3.7862     4.5512     5.4400     4.9340     6.4759     6.2700 
   H  75    2.9108     3.6744     4.9027     4.9271     6.0923     6.1021 
   H  76    1.4112     1.9741     3.4641     4.7432     4.9340     5.4400 
   H  77    2.2572     2.7133     2.9110     3.8670     4.2514     4.6167 
   H  78    6.4027     7.0828     6.3230     4.1593     6.6873     5.7776 
   H  79    7.0170     7.7304     7.1901     5.0000     7.5613     6.6200 
   H  80    6.4520     7.1963     7.1216     5.2951     7.6771     6.8991 
   H  81    5.6148     6.3873     6.8991     5.5819     7.6771     7.1216 
   H  82    4.8732     5.6597     6.6200     5.7335     7.5613     7.1901 
   H  83    4.4303     5.1888     5.7776     4.8887     6.6873     6.3230 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    4.0602     0.0000 
   H  63    1.2347     3.7059     0.0000 
   H  64    3.3533     1.0001     2.8059     0.0000 
   H  65    3.4641     3.2380     2.2901     2.2900     0.0000 
   H  66    1.3470     5.3494     2.3825     4.6900     4.6723     0.0000 
   H  67    1.4157     5.4271     2.0000     4.6468     4.2100     0.8768 
   H  68    0.6949     4.5653     1.1752     3.7711     3.4508     1.2399 
   H  69    1.7346     4.0949     2.8250     3.7711     4.7520     2.0379 
   H  70    2.2400     4.9592     3.4458     4.6468     5.5189     1.9721 
   H  71    1.7346     5.1663     2.9660     4.6900     5.1843     1.1121 
   H  72    4.6589     0.6950     4.3799     1.6921     3.8897     5.9145 
   H  73    3.1612     1.3471     2.5222     0.3475     1.9649     4.5067 
   H  74    4.0000     1.4158     3.2380     0.8743     2.0000     5.3469 
   H  75    4.3109     0.6950     3.7598     0.9679     2.8559     5.6407 
   H  76    4.8861     1.4158     4.8185     2.3716     4.6468     6.0474 
   H  77    4.0735     1.3470     4.1274     2.0481     4.3137     5.1962 
   H  78    2.4082     3.8212     1.1752     2.8250     1.3471     3.4641 
   H  79    3.2069     4.4422     2.0000     3.4457     1.4158     4.1309 
   H  80    3.6136     3.9265     2.3825     2.9659     0.6950     4.7040 
   H  81    4.1123     3.2203     2.9659     2.3825     0.6949     5.3475 
   H  82    4.4726     2.6458     3.4457     2.0000     1.4157     5.7778 
   H  83    3.7346     1.9818     2.8250     1.1752     1.3470     5.0675 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    0.8768     0.0000 
   H  69    2.7144     2.3520     0.0000 
   H  70    2.8059     2.7145     0.8768     0.0000 
   H  71    1.9721     2.0379     1.2400     0.8768     0.0000 
   H  72    6.0474     5.1962     4.5068     5.3470     5.6408     0.0000 
   H  73    4.4106     3.5339     3.7345     4.6036     4.5826     2.0380 
   H  74    5.1927     4.3206     4.6036     5.4752     5.4575     1.9722 
   H  75    5.6146     4.7390     4.5826     5.4575     5.5793     1.1121 
   H  76    6.3006     5.4888     4.4107     5.1928     5.6147     0.8768 
   H  77    5.4888     4.7005     3.5340     4.3207     4.7391     1.2399 
   H  78    2.9109     2.2241     3.9636     4.6167     4.1339     4.5156 
   H  79    3.4641     2.9109     4.8188     5.4400     4.9027     5.1260 
   H  80    4.1308     3.4641     5.0675     5.7778     5.3475     4.5827 
   H  81    4.9027     4.1339     5.3059     6.1021     5.8161     3.8121 
   H  82    5.4399     4.6167     5.4278     6.2700     6.1021     3.1553 
   H  83    4.8188     3.9636     4.5762     5.4279     5.3060     2.5904 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8768     0.0000 
   H  75    1.2400     0.8768     0.0000 
   H  76    2.7145     2.8059     1.9721     0.0000 
   H  77    2.3521     2.7145     2.0379     0.8768     0.0000 
   H  78    2.4825     2.9283     3.6572     5.1260     4.5827     0.0000 
   H  79    3.0986     3.3533     4.1685     5.8050     5.3313     0.8768 
   H  80    2.6328     2.6913     3.5505     5.3313     4.9684     1.2399 
   H  81    2.1114     1.8414     2.7156     4.6314     4.4267     2.0379 
   H  82    1.8332     1.2347     2.0437     4.0131     3.9474     2.7145 
   H  83    0.9652     0.6533     1.5200     3.3953     3.1995     2.3521 

              H  79      H  80      H  81      H  82      H  83
              -------------------------------------------------------
   H  79    0.0000 
   H  80    0.8768     0.0000 
   H  81    1.9721     1.1121     0.0000 
   H  82    2.8059     1.9721     0.8768     0.0000 
   H  83    2.7145     2.0379     1.2399     0.8768     0.0000 



ATOMIC CHARGES
   P   1   -0.0677079732
   C   2   -0.0162666199
   C   3   -0.0162666199
   C   4   -0.0460020383
   C   5   -0.0460020383
   C   6   -0.0460020383
   C   7   -0.0460020383
   C   8   -0.0524798952
   C   9   -0.0524798952
   C  10   -0.0524798952
   C  11   -0.0524798952
   C  12   -0.0530185959
   C  13   -0.0530185959
   C  14   -0.0151654852
   C  15   -0.0097425907
   C  16   -0.0535499458
   C  17   -0.0104215132
   C  18   -0.0534117213
   C  19   -0.0365396068
   C  20   -0.0365396068
   C  21   -0.0611285890
   C  22   -0.0611460629
   C  23   -0.0209222157
   C  24   -0.0209222157
   C  25   -0.0542975707
   C  26   -0.0542975707
   C  27   -0.0442254148
   C  28   -0.0214966531
   C  29   -0.0586313740
   C  30   -0.0586313740
   C  31   -0.0586313740
   C  32   -0.0586313740
   C  33   -0.0586498255
   C  34   -0.0586498255
   H  35    0.0351732209
   H  36    0.0351732209
   H  37    0.0271380568
   H  38    0.0271380568
   H  39    0.0271380568
   H  40    0.0271380568
   H  41    0.0271380568
   H  42    0.0271380568
   H  43    0.0271380568
   H  44    0.0271380568
   H  45    0.0265474430
   H  46    0.0265474430
   H  47    0.0265474430
   H  48    0.0265474430
   H  49    0.0265474430
   H  50    0.0265474430
   H  51    0.0265474430
   H  52    0.0265474430
   H  53    0.0265289301
   H  54    0.0265289301
   H  55    0.0265289301
   H  56    0.0265289301
   H  57    0.0624014801
   H  58    0.0623811434
   H  59    0.0617775158
   H  60    0.0617765451
   H  61    0.0343630030
   H  62    0.0343630030
   H  63    0.0623351502
   H  64    0.0623351502
   H  65    0.0343447393
   H  66    0.0235453058
   H  67    0.0235453058
   H  68    0.0235453058
   H  69    0.0235453058
   H  70    0.0235453058
   H  71    0.0235453058
   H  72    0.0235453058
   H  73    0.0235453058
   H  74    0.0235453058
   H  75    0.0235453058
   H  76    0.0235453058
   H  77    0.0235453058
   H  78    0.0235450813
   H  79    0.0235450813
   H  80    0.0235450813
   H  81    0.0235450813
   H  82    0.0235450813
   H  83    0.0235450813


BOND ANGLES
   2    1    3   C3    P   C3    119.998
   2    1   14   C3    P  Car    120.001
   3    1   14   C3    P  Car    120.001
   1    2    4    P   C3   C3    119.998
   1    2    5    P   C3   C3    120.001
   1    2   35    P   C3   HC     60.003
   4    2    5   C3   C3   C3    120.001
   4    2   35   C3   C3   HC     59.995
   5    2   35   C3   C3   HC    179.974
   1    3    6    P   C3   C3    119.998
   1    3    7    P   C3   C3    120.001
   1    3   36    P   C3   HC     59.995
   6    3    7   C3   C3   C3    120.001
   6    3   36   C3   C3   HC     60.003
   7    3   36   C3   C3   HC    179.974
   2    4    9   C3   C3   C3    119.998
   2    4   37   C3   C3   HC     79.998
   2    4   38   C3   C3   HC    160.007
   9    4   37   C3   C3   HC    160.004
   9    4   38   C3   C3   HC     79.995
  37    4   38   HC   C3   HC     80.009
   2    5    8   C3   C3   C3    120.001
   2    5   39   C3   C3   HC    160.002
   2    5   40   C3   C3   HC     80.004
   8    5   39   C3   C3   HC     79.997
   8    5   40   C3   C3   HC    159.996
  39    5   40   HC   C3   HC     79.999
   3    6   10   C3   C3   C3    120.001
   3    6   41   C3   C3   HC     80.006
   3    6   42   C3   C3   HC    160.004
  10    6   41   C3   C3   HC    159.993
  10    6   42   C3   C3   HC     79.995
  41    6   42   HC   C3   HC     79.998
   3    7   11   C3   C3   C3    119.999
   3    7   43   C3   C3   HC    159.996
   3    7   44   C3   C3   HC     79.999
  11    7   43   C3   C3   HC     80.006
  11    7   44   C3   C3   HC    160.003
  43    7   44   HC   C3   HC     79.997
   5    8   12   C3   C3   C3    120.001
   5    8   47   C3   C3   HC    159.996
   5    8   48   C3   C3   HC     79.997
  12    8   47   C3   C3   HC     80.004
  12    8   48   C3   C3   HC    160.002
  47    8   48   HC   C3   HC     79.999
   4    9   12   C3   C3   C3    119.998
   4    9   45   C3   C3   HC     79.995
   4    9   46   C3   C3   HC    160.004
  12    9   45   C3   C3   HC    160.007
  12    9   46   C3   C3   HC     79.998
  45    9   46   HC   C3   HC     80.009
   6   10   13   C3   C3   C3    120.004
   6   10   49   C3   C3   HC     80.000
   6   10   50   C3   C3   HC    159.996
  13   10   49   C3   C3   HC    159.997
  13   10   50   C3   C3   HC     80.001
  49   10   50   HC   C3   HC     79.996
   7   11   13   C3   C3   C3    120.001
   7   11   51   C3   C3   HC    160.002
   7   11   52   C3   C3   HC     80.004
  13   11   51   C3   C3   HC     79.997
  13   11   52   C3   C3   HC    159.996
  51   11   52   HC   C3   HC     79.999
   8   12    9   C3   C3   C3    120.001
   8   12   53   C3   C3   HC    160.003
   8   12   54   C3   C3   HC     80.006
   9   12   53   C3   C3   HC     79.996
   9   12   54   C3   C3   HC    159.993
  53   12   54   HC   C3   HC     79.997
  10   13   11   C3   C3   C3    119.996
  10   13   55   C3   C3   HC     80.000
  10   13   56   C3   C3   HC    160.007
  11   13   55   C3   C3   HC    160.004
  11   13   56   C3   C3   HC     79.997
  55   13   56   HC   C3   HC     80.007
   1   14   15    P  Car  Car    179.974
   1   14   16    P  Car  Car     59.999
  15   14   16  Car  Car  Car    120.001
  14   15   17  Car  Car  Car    120.001
  14   15   18  Car  Car  Car    120.001
  17   15   18  Car  Car  Car    119.998
  14   16   21  Car  Car  Car    120.001
  14   16   57  Car  Car   HC    120.002
  21   16   57  Car  Car   HC    119.998
  15   17   19  Car  Car  Car    119.998
  15   17   20  Car  Car  Car    120.001
  19   17   20  Car  Car  Car    120.001
  15   18   22  Car  Car  Car    119.998
  15   18   58  Car  Car   HC    120.000
  22   18   58  Car  Car   HC    120.002
  17   19   23  Car  Car   C3    120.001
  17   19   25  Car  Car  Car    119.998
  23   19   25   C3  Car  Car    120.001
  17   20   24  Car  Car   C3    179.974
  17   20   26  Car  Car  Car    120.001
  24   20   26   C3  Car  Car     59.999
  16   21   22  Car  Car  Car    120.001
  16   21   59  Car  Car   HC    120.001
  22   21   59  Car  Car   HC    119.998
  18   22   21  Car  Car  Car    119.998
  18   22   60  Car  Car   HC    120.002
  21   22   60  Car  Car   HC    120.000
  19   23   29  Car   C3   C3    119.999
  19   23   30  Car   C3   C3    120.001
  19   23   61  Car   C3   HC     59.999
  29   23   30   C3   C3   C3    120.001
  29   23   61   C3   C3   HC     59.999
  30   23   61   C3   C3   HC    179.974
  20   24   31  Car   C3   C3    120.001
  20   24   32  Car   C3   C3    120.001
  20   24   62  Car   C3   HC    179.974
  31   24   32   C3   C3   C3    119.998
  31   24   62   C3   C3   HC     60.003
  32   24   62   C3   C3   HC     59.995
  19   25   27  Car  Car  Car    119.998
  19   25   63  Car  Car   HC    120.002
  27   25   63  Car  Car   HC    120.000
  20   26   27  Car  Car  Car    120.001
  20   26   64  Car  Car   HC    120.002
  27   26   64  Car  Car   HC    119.998
  25   27   26  Car  Car  Car    120.001
  25   27   28  Car  Car   C3    119.998
  26   27   28  Car  Car   C3    120.001
  27   28   33  Car   C3   C3    119.998
  27   28   34  Car   C3   C3    120.001
  27   28   65  Car   C3   HC    179.974
  33   28   34   C3   C3   C3    120.001
  33   28   65   C3   C3   HC     60.002
  34   28   65   C3   C3   HC     59.999
  23   29   66   C3   C3   HC     90.001
  23   29   67   C3   C3   HC    179.974
  23   29   68   C3   C3   HC     89.999
  66   29   67   HC   C3   HC     90.000
  66   29   68   HC   C3   HC    179.974
  67   29   68   HC   C3   HC     90.000
  23   30   69   C3   C3   HC     90.000
  23   30   70   C3   C3   HC    179.974
  23   30   71   C3   C3   HC     90.000
  69   30   70   HC   C3   HC     90.000
  69   30   71   HC   C3   HC    179.974
  70   30   71   HC   C3   HC     90.000
  24   31   73   C3   C3   HC     90.000
  24   31   74   C3   C3   HC    179.974
  24   31   75   C3   C3   HC     90.000
  73   31   74   HC   C3   HC     90.000
  73   31   75   HC   C3   HC    179.974
  74   31   75   HC   C3   HC     90.000
  24   32   72   C3   C3   HC     90.004
  24   32   76   C3   C3   HC    179.974
  24   32   77   C3   C3   HC     89.996
  72   32   76   HC   C3   HC     90.000
  72   32   77   HC   C3   HC    179.974
  76   32   77   HC   C3   HC     90.000
  28   33   78   C3   C3   HC     90.004
  28   33   79   C3   C3   HC    179.974
  28   33   80   C3   C3   HC     89.996
  78   33   79   HC   C3   HC     90.000
  78   33   80   HC   C3   HC    179.974
  79   33   80   HC   C3   HC     90.000
  28   34   81   C3   C3   HC     89.999
  28   34   82   C3   C3   HC    179.974
  28   34   83   C3   C3   HC     90.001
  81   34   82   HC   C3   HC     90.000
  81   34   83   HC   C3   HC    179.974
  82   34   83   HC   C3   HC     90.000


TORSION ANGLES
   3    1    2    4      0.026
   3    1    2    5    179.974
   3    1    2   35      0.026
  14    1    2    4    179.974
  14    1    2    5      0.026
  14    1    2   35    179.974
   2    1    3    6    179.974
   2    1    3    7      0.026
   2    1    3   36    179.974
  14    1    3    6      0.026
  14    1    3    7    179.974
  14    1    3   36      0.026
   2    1   14   15      0.026
   2    1   14   16      0.026
   3    1   14   15    179.974
   3    1   14   16    179.974
   1    2    4    9    179.974
   1    2    4   37      0.026
   1    2    4   38      0.026
   5    2    4    9      0.026
   5    2    4   37    179.974
   5    2    4   38    179.974
  35    2    4    9    179.974
  35    2    4   37      0.026
  35    2    4   38      0.026
   1    2    5    8    179.974
   1    2    5   39      0.026
   1    2    5   40      0.026
   4    2    5    8      0.026
   4    2    5   39    179.974
   4    2    5   40    179.974
  35    2    5    8      0.026
  35    2    5   39    179.974
  35    2    5   40    179.974
   1    3    6   10    179.974
   1    3    6   41      0.026
   1    3    6   42      0.026
   7    3    6   10      0.026
   7    3    6   41    179.974
   7    3    6   42    179.974
  36    3    6   10    179.974
  36    3    6   41      0.026
  36    3    6   42      0.026
   1    3    7   11    179.974
   1    3    7   43      0.026
   1    3    7   44      0.026
   6    3    7   11      0.026
   6    3    7   43    179.974
   6    3    7   44    179.974
  36    3    7   11    179.974
  36    3    7   43      0.026
  36    3    7   44      0.026
   2    4    9   12      0.026
   2    4    9   45    179.974
   2    4    9   46    179.974
  37    4    9   12    179.974
  37    4    9   45      0.026
  37    4    9   46      0.026
  38    4    9   12    179.974
  38    4    9   45      0.026
  38    4    9   46      0.026
   2    5    8   12      0.026
   2    5    8   47    179.974
   2    5    8   48    179.974
  39    5    8   12    179.974
  39    5    8   47      0.026
  39    5    8   48      0.026
  40    5    8   12    179.974
  40    5    8   47      0.026
  40    5    8   48      0.026
   3    6   10   13      0.026
   3    6   10   49    179.974
   3    6   10   50    179.974
  41    6   10   13    179.974
  41    6   10   49      0.026
  41    6   10   50      0.026
  42    6   10   13    179.974
  42    6   10   49      0.026
  42    6   10   50      0.026
   3    7   11   13      0.026
   3    7   11   51    179.974
   3    7   11   52    179.974
  43    7   11   13    179.974
  43    7   11   51      0.026
  43    7   11   52      0.026
  44    7   11   13    179.974
  44    7   11   51      0.026
  44    7   11   52      0.026
   5    8   12    9      0.026
   5    8   12   53    179.974
   5    8   12   54    179.974
  47    8   12    9    179.974
  47    8   12   53      0.026
  47    8   12   54      0.026
  48    8   12    9    179.974
  48    8   12   53      0.026
  48    8   12   54      0.026
   4    9   12    8      0.026
   4    9   12   53    179.974
   4    9   12   54    179.974
  45    9   12    8    179.974
  45    9   12   53      0.026
  45    9   12   54      0.026
  46    9   12    8    179.974
  46    9   12   53      0.026
  46    9   12   54      0.026
   6   10   13   11      0.026
   6   10   13   55    179.974
   6   10   13   56    179.974
  49   10   13   11    179.974
  49   10   13   55      0.026
  49   10   13   56      0.026
  50   10   13   11    179.974
  50   10   13   55      0.026
  50   10   13   56      0.026
   7   11   13   10      0.026
   7   11   13   55    179.974
   7   11   13   56    179.974
  51   11   13   10    179.974
  51   11   13   55      0.026
  51   11   13   56      0.026
  52   11   13   10    179.974
  52   11   13   55      0.026
  52   11   13   56      0.026
   1   14   15   17    179.974
   1   14   15   18      0.026
  16   14   15   17    179.974
  16   14   15   18      0.026
   1   14   16   21    179.974
   1   14   16   57      0.026
  15   14   16   21      0.026
  15   14   16   57    179.974
  14   15   17   19    179.974
  14   15   17   20      0.026
  18   15   17   19      0.026
  18   15   17   20    179.974
  14   15   18   22      0.026
  14   15   18   58    179.974
  17   15   18   22    179.974
  17   15   18   58      0.026
  14   16   21   22      0.026
  14   16   21   59    179.974
  57   16   21   22    179.974
  57   16   21   59      0.026
  15   17   19   23      0.026
  15   17   19   25    179.974
  20   17   19   23    179.974
  20   17   19   25      0.026
  15   17   20   24    179.974
  15   17   20   26    179.974
  19   17   20   24      0.026
  19   17   20   26      0.026
  15   18   22   21      0.026
  15   18   22   60    179.974
  58   18   22   21    179.974
  58   18   22   60      0.026
  17   19   23   29    179.974
  17   19   23   30      0.026
  17   19   23   61    179.974
  25   19   23   29      0.026
  25   19   23   30    179.974
  25   19   23   61      0.026
  17   19   25   27      0.026
  17   19   25   63    179.974
  23   19   25   27    179.974
  23   19   25   63      0.026
  17   20   24   31      0.026
  17   20   24   32    179.974
  17   20   24   62    179.974
  26   20   24   31      0.026
  26   20   24   32    179.974
  26   20   24   62    179.974
  17   20   26   27      0.026
  17   20   26   64    179.974
  24   20   26   27    179.974
  24   20   26   64      0.026
  16   21   22   18      0.026
  16   21   22   60    179.974
  59   21   22   18    179.974
  59   21   22   60      0.026
  19   23   29   66    179.974
  19   23   29   67      0.026
  19   23   29   68      0.026
  30   23   29   66      0.026
  30   23   29   67    179.974
  30   23   29   68    179.974
  61   23   29   66    179.974
  61   23   29   67      0.026
  61   23   29   68      0.026
  19   23   30   69      0.026
  19   23   30   70    180.000
  19   23   30   71    179.974
  29   23   30   69    179.974
  29   23   30   70    180.000
  29   23   30   71      0.026
  61   23   30   69    180.000
  61   23   30   70    180.000
  61   23   30   71    180.000
  20   24   31   73      0.026
  20   24   31   74    180.000
  20   24   31   75    179.974
  32   24   31   73    179.974
  32   24   31   74    180.000
  32   24   31   75      0.026
  62   24   31   73    179.974
  62   24   31   74    180.000
  62   24   31   75      0.026
  20   24   32   72    179.974
  20   24   32   76      0.026
  20   24   32   77      0.026
  31   24   32   72      0.026
  31   24   32   76    179.974
  31   24   32   77    179.974
  62   24   32   72      0.026
  62   24   32   76    179.974
  62   24   32   77    179.974
  19   25   27   26      0.026
  19   25   27   28    179.974
  63   25   27   26    179.974
  63   25   27   28      0.026
  20   26   27   25      0.026
  20   26   27   28    179.974
  64   26   27   25    179.974
  64   26   27   28      0.026
  25   27   28   33      0.026
  25   27   28   34    179.974
  25   27   28   65    180.000
  26   27   28   33    179.974
  26   27   28   34      0.026
  26   27   28   65    180.000
  27   28   33   78      0.026
  27   28   33   79    179.974
  27   28   33   80    179.974
  34   28   33   78    179.974
  34   28   33   79      0.026
  34   28   33   80      0.026
  65   28   33   78    179.974
  65   28   33   79      0.026
  65   28   33   80      0.026
  27   28   34   81    179.974
  27   28   34   82    179.974
  27   28   34   83      0.026
  33   28   34   81      0.026
  33   28   34   82      0.026
  33   28   34   83    179.974
  65   28   34   81      0.026
  65   28   34   82      0.026
  65   28   34   83    179.974