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2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclopenten-1-yl]vinyl]-1,3,3-trimethyl-indol-1-ium iodide
2-[(E)-2-[(3E)-2-chloro-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclopenten-1-yl]vinyl]-1,3,3-trimethyl-indol-1-ium iodide ID: AN-40214
CAS:56289-67-9
Supplier:AN PharmaTech Co Ltd

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SMILES:[I-].ClC1=C(CC/C/1=C\C=C/1\N(c2c(C1(C)C)cccc2)C)/C=C/C1=[N+](c2c(C1(C)C)cccc2)C	45108244
FORMULA: C31H34ClIN2
MASS: 596.9725
EXACT MASS: 596.1455248
INTERATOMIC DISTANCES

              I   1     Cl   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   I   1    0.0000 
  Cl   2    4.8956     0.0000 
   N   3    7.5700     3.8240     0.0000 
   N   4    7.3223     4.8038     8.1634     0.0000 
   C   5    9.0284     4.8038     1.6095     8.5160     0.0000 
   C   6    5.7156     3.8240     7.5213     1.6095     8.1635     0.0000 
   C   7    8.0636     3.8234     0.9940     7.7344     0.9941     7.2767 
   C   8    6.5109     3.8233     7.2766     0.9941     7.7344     0.9941 
   C   9    9.1672     5.3232     1.6117     9.3399     0.9941     8.8752 
   C  10    6.1522     4.8046     8.5154     1.6117     9.1422     0.9940 
   C  11    8.3065     4.8046     0.9941     9.1422     1.6118     8.5154 
   C  12    7.1319     5.3232     8.8752     0.9941     9.3399     1.6117 
   C  13    9.3066     4.7595     2.3404     7.9679     0.9999     7.7889 
   C  14   10.0251     5.7161     2.5795     9.1384     1.0000     8.9178 
   C  15    4.8007     3.7714     7.5857     2.5794     8.4069     1.0000 
   C  16    5.1347     2.8354     6.5769     2.3405     7.3022     1.0000 
   C  17    7.7589     3.1718     1.7763     6.7668     1.7764     6.3883 
   C  18    6.6183     3.1718     6.3883     1.7764     6.7668     1.7764 
   C  19   10.0374     6.3186     2.5575    10.3066     1.8227     9.8705 
   C  20    5.9276     5.4240     9.2147     2.5576     9.9459     1.8227 
   C  21    8.4065     5.4241     1.8227     9.9458     2.5576     9.2147 
   C  22    7.8209     6.3186     9.8705     1.8228    10.3067     2.5576 
   C  23    6.5854     3.1735     1.0000     7.7888     2.5788     6.9790 
   C  24    8.2633     5.3394     8.4069     1.0000     8.5728     2.5788 
   C  25    6.6666     1.7820     3.0842     5.1068     3.5072     4.6564 
   C  26    6.2564     1.7821     4.6565     3.5071     5.1068     3.0842 
   C  27    7.4650     2.5876     3.7468     4.7684     3.7712     4.6432 
   C  28    7.2423     2.5876     4.6433     3.7711     4.7685     3.7467 
   C  29    6.8018     2.1756     2.0845     6.0918     2.6708     5.5517 
   C  30    5.8935     2.1756     5.5517     2.6707     6.0919     2.0845 
   C  31    5.8476     1.0000     3.7731     4.4304     4.4304     3.7732 
   C  32   10.1203     6.8017     2.9792    11.0258     2.6956    10.4799 
   C  33    6.7409     6.4039    10.1769     2.9792    10.8589     2.6956 
   C  34    9.3478     6.4039     2.6956    10.8589     2.9792    10.1769 
   C  35    7.6456     6.8015    10.4798     2.6955    11.0258     2.9791 
   H  36    9.9968     5.5134     2.7661     8.6799     1.1765     8.5422 
   H  37   10.6433     6.2950     3.1901     9.5564     1.6199     9.4084 
   H  38   10.0915     5.9764     2.5347     9.6150     1.1766     9.3195 
   H  39    8.7232     4.1408     2.0605     7.4390     1.1766     7.2040 
   H  40    9.5278     4.8368     2.8762     7.6739     1.6200     7.6135 
   H  41    9.8944     5.3785     2.7348     8.5090     1.1766     8.3787 
   H  42    5.6747     2.7943     6.3853     2.0606     6.9888     1.1767 
   H  43    4.8438     2.2276     6.0004     2.8762     6.7874     1.6200 
   H  44    4.6148     3.0065     6.8196     2.7348     7.6530     1.1766 
   H  45    4.5618     3.1537     6.9715     2.7661     7.8175     1.1766 
   H  46    4.2528     3.8704     7.6910     3.1901     8.6128     1.6200 
   H  47    5.1041     4.3896     8.2008     2.5346     9.0003     1.1766 
   H  48    8.2144     3.4875     2.3207     6.6406     1.9124     6.4111 
   H  49    7.2056     3.4874     6.4110     1.9125     6.6405     2.3208 
   H  50   10.5687     6.6937     3.0271    10.4936     1.9871    10.1455 
   H  51    5.3564     5.2715     9.0915     3.0272     9.9136     1.9872 
   H  52    7.9353     5.2715     1.9872     9.9136     3.0272     9.0915 
   H  53    8.4179     6.6937    10.1455     1.9872    10.4937     3.0271 
   H  54    6.7293     3.7036     1.1766     8.3787     2.7667     7.5251 
   H  55    5.9776     2.8729     1.6200     7.6135     3.1893     6.6960 
   H  56    6.4977     2.6822     1.1766     7.2040     2.5327     6.4464 
   H  57    8.4811     5.8463     9.0004     1.1766     9.1890     2.7667 
   H  58    8.8532     5.7343     8.6128     1.6200     8.6659     3.1893 
   H  59    8.0871     4.8589     7.8175     1.1765     7.9573     2.5326 
   H  60    8.0408     3.1853     4.1378     4.7847     3.9347     4.8649 
   H  61    7.7812     2.8881     3.3081     5.3827     3.1827     5.2524 
   H  62    7.3006     2.8881     5.2524     3.1826     5.3828     3.3081 
   H  63    7.8615     3.1854     4.8650     3.9347     4.7848     4.1378 
   H  64    6.3544     2.0051     1.8718     6.3398     2.8319     5.6497 
   H  65    5.2918     2.0051     5.6497     2.8319     6.3398     1.8718 
   H  66   10.6961     7.4210     3.5979    11.6176     3.2152    11.0914 
   H  67    6.7366     6.8236    10.6245     3.5979    11.3600     3.2152 
   H  68    9.4890     6.8237     3.2152    11.3600     3.5979    10.6245 
   H  69    8.1527     7.4209    11.0913     3.2152    11.6176     3.5978 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    6.9085     0.0000 
   C   9    1.6094     8.5179     0.0000 
   C  10    8.2636     1.6095     9.8644     0.0000 
   C  11    1.6094     8.2635     1.0000     9.5094     0.0000 
   C  12    8.5180     1.6095    10.1275     1.0000     9.8644     0.0000 
   C  13    1.4094     7.2580     1.9693     8.7428     2.5808     8.8425 
   C  14    1.9695     8.4151     1.4095     9.8810     2.3451    10.0055 
   C  15    7.4710     1.9694     9.0352     1.4094     8.5718     2.3450 
   C  16    6.3875     1.4094     7.9723     1.9694     7.5699     2.5808 
   C  17    1.0000     5.9655     2.5787     7.3660     2.5787     7.5732 
   C  18    5.9655     1.0000     7.5731     2.5788     7.3660     2.5788 
   C  19    2.5961     9.4984     1.0000    10.8586     1.7320    11.1075 
   C  20    9.0378     2.5962    10.6235     1.0000    10.2056     1.7321 
   C  21    2.5961     9.0377     1.7320    10.2056     1.0000    10.6235 
   C  22    9.4985     2.5962    11.1075     1.7320    10.8586     1.0000 
   C  23    1.7763     6.8538     2.5818     7.9670     1.7763     8.4204 
   C  24    7.8718     1.7764     9.4534     2.5818     9.3603     1.7763 
   C  25    2.6457     4.2636     4.2550     5.6356     4.0464     5.8730 
   C  26    4.2636     2.6457     5.8730     4.0464     5.6356     4.2550 
   C  27    3.0883     4.0553     4.6511     5.5702     4.6388     5.6356 
   C  28    4.0554     3.0882     5.6356     4.6387     5.5703     4.6510 
   C  29    1.7320     5.2267     3.3235     6.5413     3.0518     6.8335 
   C  30    5.2268     1.7320     6.8335     3.0518     6.5413     3.3235 
   C  31    3.5129     3.5128     5.1042     4.7648     4.7648     5.1042 
   C  32    3.3000    10.1792     1.7321    11.4733     2.0000    11.7869 
   C  33    9.9673     3.3000    11.5617     1.7321    11.1696     2.0000 
   C  34    3.3000     9.9673     2.0000    11.1696     1.7321    11.5617 
   C  35   10.1792     3.3000    11.7868     2.0000    11.4732     1.7320 
   H  36    1.9700     7.9923     1.8983     9.4910     2.7381     9.5684 
   H  37    2.5836     8.8675     1.8999    10.3610     2.8814    10.4449 
   H  38    2.1552     8.8611     1.0669    10.2935     2.0664    10.4611 
   H  39    1.0669     6.7013     2.1552     8.1652     2.5343     8.2951 
   H  40    1.9000     7.0181     2.5836     8.5447     3.1913     8.5783 
   H  41    1.8984     7.8241     1.9701     9.3259     2.7691     9.3989 
   H  42    6.1088     1.0669     7.7110     2.1552     7.3787     2.5344 
   H  43    5.8541     1.8999     7.4250     2.5836     6.9914     3.1913 
   H  44    6.7119     1.8983     8.2719     1.9700     7.8058     2.7691 
   H  45    6.8740     1.9700     8.4306     1.8983     7.9562     2.7381 
   H  46    7.6549     2.5836     9.1878     1.8999     8.6648     2.8814 
   H  47    8.0714     2.1552     9.6417     1.0669     9.1880     2.0664 
   H  48    1.4158     5.9000     2.8400     7.3686     3.0232     7.4939 
   H  49    5.9000     1.4158     7.4938     3.0232     7.3686     2.8401 
   H  50    2.8921     9.7207     1.4158    11.1264     2.2901    11.3253 
   H  51    8.9810     2.8922    10.5462     1.4158    10.0755     2.2901 
   H  52    2.8921     8.9810     2.2901    10.0755     1.4158    10.5462 
   H  53    9.7207     2.8922    11.3253     2.2900    11.1264     1.4157 
   H  54    2.1301     7.4350     2.5372     8.5080     1.5943     8.9901 
   H  55    2.3459     6.6540     3.1925     7.6729     2.3459     8.1873 
   H  56    1.5943     6.2801     2.7682     7.4382     2.1302     7.8584 
   H  57    8.4802     2.1302    10.0653     2.5372     9.9589     1.5943 
   H  58    8.0186     2.3460     9.5755     3.1926     9.5457     2.3460 
   H  59    7.2653     1.5943     8.8425     2.7681     8.7647     2.1301 
   H  60    3.3786     4.1746     4.8698     5.7454     4.9733     5.7034 
   H  61    2.5634     4.6753     4.0882     6.1856     4.1496     6.2549 
   H  62    4.6754     2.5633     6.2549     4.1495     6.1857     4.0881 
   H  63    4.1747     3.3785     5.7035     4.9733     5.7455     4.8698 
   H  64    1.8396     5.4300     3.3194     6.6437     2.8658     7.0200 
   H  65    5.4300     1.8396     7.0200     2.8657     6.6437     3.3194 
   H  66    3.8842    10.7792     2.2901    12.0844     2.6200    12.3879 
   H  67   10.4535     3.8842    12.0390     2.2901    11.6143     2.6200 
   H  68    3.8842    10.4535     2.6200    11.6143     2.2901    12.0391 
   H  69   10.7793     3.8842    12.3878     2.6200    12.0844     2.2900 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.1756     0.0000 
   C  15    8.1436     9.2292     0.0000 
   C  16    6.9975     8.0987     1.1755     0.0000 
   C  17    1.5917     2.5809     6.6556     5.5372     0.0000 
   C  18    6.2665     7.4274     2.5808     1.5918     5.0064     0.0000 
   C  19    2.6512     1.6842    10.0351     8.9711     3.5400     8.5456 
   C  20    9.6015    10.7221     1.6842     2.6512     8.1756     3.5401 
   C  21    3.5487     3.1404     9.1862     8.2445     3.5400     8.1755 
   C  22    9.7824    10.9506     3.1404     3.5487     8.5457     3.5401 
   C  23    3.1857     3.5656     6.9330     6.0014     2.1682     6.0379 
   C  24    7.9274     9.1027     3.5656     3.1858     6.8789     2.1683 
   C  25    3.2037     4.2867     4.9452     3.8125     1.7320     3.3317 
   C  26    4.7050     5.8355     3.5058     2.3334     3.3318     1.7320 
   C  27    3.2070     4.3726     5.1221     3.9478     2.0886     3.0608 
   C  28    4.1979     5.3674     4.3264     3.1571     3.0609     2.0885 
   C  29    2.5916     3.5488     5.7422     4.6556     1.0000     4.3155 
   C  30    5.7050     6.8338     2.5513     1.3776     4.3155     1.0000 
   C  31    4.1939     5.2541     3.9796     2.8755     2.6767     2.6767 
   C  32    3.6003     2.6832    10.5649     9.5474     4.2911     9.2526 
   C  33   10.4736    11.6090     2.6832     3.6003     9.0839     4.2912 
   C  34    3.9679     3.2730    10.1714     9.2140     4.2911     9.0838 
   C  35   10.5569    11.7151     3.2729     3.9679     9.2525     4.2911 
   H  36    0.7662     0.6200     8.9078     7.7595     2.3416     6.9971 
   H  37    1.6196     0.6199     9.7556     8.6137     3.1365     7.8729 
   H  38    1.7163     0.6200     9.5799     8.4697     2.9338     7.8830 
   H  39    0.6200     1.7164     7.5379     6.3973     0.9789     5.7164 
   H  40    0.6201     1.6197     8.0386     6.8751     1.7755     6.0191 
   H  41    0.6200     0.7662     8.7512     7.6008     2.2086     6.8285 
   H  42    6.6149     7.7415     1.7163     0.6200     5.2131     0.9790 
   H  43    6.5356     7.6126     1.6196     0.6200     5.0370     1.7755 
   H  44    7.4122     8.4862     0.7662     0.6200     5.9087     2.2086 
   H  45    7.5819     8.6537     0.6200     0.7662     6.0756     2.3416 
   H  46    8.4158     9.4703     0.6200     1.6195     6.8894     3.1366 
   H  47    8.7131     9.8100     0.6200     1.7162     7.2423     2.9337 
   H  48    1.3797     2.5162     6.7678     5.6188     0.6201     4.9151 
   H  49    6.0619     7.2346     3.1786     2.2117     4.9151     0.6200 
   H  50    2.6322     1.5110    10.3628     9.2727     3.7624     8.7504 
   H  51    9.6295    10.7263     1.5111     2.6322     8.1576     3.7625 
   H  52    3.9928     3.6966     8.9974     8.1067     3.7624     8.1575 
   H  53    9.9200    11.0938     3.6965     3.9928     8.7505     3.7625 
   H  54    3.5119     3.7043     7.4333     6.5390     2.6948     6.6357 
   H  55    3.7482     4.1803     6.5723     5.7039     2.5814     5.8959 
   H  56    2.9551     3.5318     6.4535     5.4812     1.7056     5.4450 
   H  57    8.5473     9.7226     3.7043     3.5120     7.4892     2.6949 
   H  58    7.9655     9.1355     4.1803     3.7483     7.0193     2.5815 
   H  59    7.3076     8.4828     3.5317     2.9551     6.2705     1.7056 
   H  60    3.2360     4.4109     5.4385     4.2657     2.3948     3.1768 
   H  61    2.5882     3.7559     5.7025     4.5319     1.5714     3.6807 
   H  62    4.7892     5.9622     3.9854     2.8471     3.6808     1.5713 
   H  63    4.1059     5.2810     4.7994     3.6478     3.1769     2.3947 
   H  64    2.9555     3.7831     5.7321     4.7068     1.4157     4.5737 
   H  65    6.0380     7.1356     2.1107     0.9636     4.5737     1.4158 
   H  66    4.0669     3.0579    11.1832    10.1621     4.8667     9.8465 
   H  67   11.0039    12.1300     3.0579     4.0669     9.5885     4.8667 
   H  68    4.5877     3.8784    10.5757     9.6507     4.8667     9.5886 
   H  69   11.1322    12.2941     3.8783     4.5877     9.8465     4.8667 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20   11.6224     0.0000 
   C  21    2.0000    10.8476     0.0000 
   C  22   12.0837     2.0000    11.6224     0.0000 
   C  23    3.4782     8.5955     2.2532     9.4204     0.0000 
   C  24   10.3894     3.4783    10.2196     2.2533     8.1436     0.0000 
   C  25    5.2394     6.4451     4.8976     6.8559     2.9120     5.3230 
   C  26    6.8559     4.8976     6.4451     5.2394     4.3293     3.8158 
   C  27    5.5845     6.4658     5.5641     6.5781     3.7654     4.8054 
   C  28    6.5781     5.5641     6.4659     5.5846     4.5301     3.8182 
   C  29    4.3196     7.3062     3.8981     7.8228     1.9834     6.3230 
   C  30    7.8228     3.8981     7.3062     4.3197     5.1246     3.1646 
   C  31    6.1013     5.5250     5.5250     6.1013     3.3617     4.8023 
   C  32    1.0001    12.1901     1.7321    12.7746     3.7443    11.1699 
   C  33   12.5587     1.0001    11.8277     1.7320     9.5773     3.7443 
   C  34    1.7321    11.8277     1.0001    12.5587     3.2419    11.0912 
   C  35   12.7744     1.7320    12.1900     0.9999     9.9576     3.2418 
   H  36    2.2989    10.3575     3.6156    10.4988     3.7022     8.6002 
   H  37    1.8815    11.2210     3.5952    11.3755     4.1804     9.4693 
   H  38    1.0756    11.1093     2.7240    11.4181     3.5339     9.6189 
   H  39    2.9879     9.0117     3.5331     9.2459     2.7813     7.4450 
   H  40    3.2144     9.4351     4.1654     9.4958     3.6500     7.5661 
   H  41    2.4290    10.1950     3.6706    10.3283     3.6511     8.4278 
   H  42    8.7043     2.9879     8.1077     3.5332     5.8917     2.7815 
   H  43    8.4249     3.2143     7.6469     4.1654     5.3994     3.6501 
   H  44    9.2718     2.4289     8.4248     3.6706     6.1717     3.6512 
   H  45    9.4303     2.2989     8.5665     3.6156     6.3132     3.7023 
   H  46   10.1853     1.8814     9.2232     3.5951     6.9767     4.1805 
   H  47   10.6417     1.0757     9.8060     2.7240     7.5528     3.5339 
   H  48    3.7346     8.2224     4.0119     8.4457     2.7856     6.6643 
   H  49    8.4456     4.0120     8.2223     3.7347     6.1546     1.9976 
   H  50    0.6200    11.9206     2.6200    12.2895     3.9873    10.5190 
   H  51   11.5462     0.6200    10.6724     2.6200     8.4202     3.9874 
   H  52    2.6200    10.6723     0.6200    11.5462     2.1272    10.2459 
   H  53   12.2894     2.6200    11.9206     0.6200     9.7455     2.1272 
   H  54    3.3229     9.1062     1.8028     9.9897     0.6200     8.7512 
   H  55    4.0678     8.2492     2.6775     9.1851     0.6200     8.0387 
   H  56    3.7313     8.1000     2.7699     8.8579     0.6200     7.5380 
   H  57   11.0044     3.3229    10.8090     1.8029     8.7132     0.6200 
   H  58   10.4883     4.0680    10.4338     2.6777     8.4158     0.6200 
   H  59    9.7751     3.7314     9.6340     2.7700     7.5819     0.6200 
   H  60    5.7567     6.6797     5.9311     6.6074     4.2640     4.6920 
   H  61    5.0028     7.0742     5.1029     7.1950     3.4651     5.3915 
   H  62    7.1950     5.1029     7.0742     5.0028     5.1033     3.1985 
   H  63    6.6074     5.9311     6.6798     5.7568     4.8685     3.8217 
   H  64    4.3165     7.3487     3.6084     8.0178     1.5047     6.6540 
   H  65    8.0178     3.6084     7.3487     4.3165     5.1213     3.4806 
   H  66    1.4158    12.8062     2.2901    13.3735     4.3603    11.7433 
   H  67   13.0380     1.4158    12.2432     2.2900     9.9901     4.3603 
   H  68    2.2901    12.2433     1.4158    13.0381     3.6504    11.6220 
   H  69   13.3734     2.2901    12.8061     1.4157    10.5754     3.6503 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.6181     0.0000 
   C  27    1.0000     1.6180     0.0000 
   C  28    1.6181     1.0000     1.0000     0.0000 
   C  29    1.0000     2.5877     1.7820     2.5877     0.0000 
   C  30    2.5877     1.0000     2.5876     1.7820     3.5202     0.0000 
   C  31    1.0000     1.0000     1.6180     1.6180     1.7820     1.7820 
   C  32    5.9216     7.5355     6.3741     7.3520     4.9540     8.4729 
   C  33    7.3519     5.7735     7.3020     6.3651     8.2391     4.7759 
   C  34    5.7735     7.3520     6.3651     7.3020     4.7759     8.2391 
   C  35    7.5354     5.9215     7.3519     6.3740     8.4728     4.9539 
   H  36    3.9696     5.4599     3.9370     4.9177     3.3401     6.4596 
   H  37    4.8110     6.3245     4.8124     5.7944     4.1210     7.3245 
   H  38    4.6650     6.2502     4.8484     5.8482     3.8471     7.2417 
   H  39    2.5938     4.1206     2.6709     3.6701     1.9768     5.1196 
   H  40    3.1632     4.5493     2.9745     3.9313     2.7318     5.5426 
   H  41    3.8169     5.2974     3.7688     4.7480     3.2085     6.2969 
   H  42    3.4817     1.9101     3.4882     2.6326     4.3890     0.9102 
   H  43    3.3330     1.9817     3.5897     2.9065     4.1241     1.1767 
   H  44    4.2092     2.8302     4.4465     3.7111     4.9854     1.9328 
   H  45    4.3785     3.0023     4.6188     3.8801     5.1489     2.1004 
   H  46    5.2134     3.8753     5.4899     4.7564     5.9424     2.9758 
   H  47    5.5234     4.0419     5.6486     4.8113     6.3407     3.0619 
   H  48    1.8397     3.3269     1.8744     2.8744     1.4158     4.3268 
   H  49    3.3268     1.8396     2.8743     1.8743     4.3267     1.4158 
   H  50    5.4908     7.0938     5.7343     6.7342     4.6214     8.0773 
   H  51    6.4397     4.9535     6.5557     5.7020     7.2514     3.9681 
   H  52    4.9535     6.4397     5.7020     6.5558     3.9681     7.2514 
   H  53    7.0938     5.4908     6.7342     5.7343     8.0773     4.6214 
   H  54    3.5320     4.9355     4.3792     5.1500     2.5981     5.7101 
   H  55    2.9739     4.2338     3.9076     4.5697     2.1641     4.9437 
   H  56    2.2920     3.7277     3.1540     3.9101     1.3734     4.5484 
   H  57    5.9164     4.3844     5.4199     4.4297     6.9159     3.6740 
   H  58    5.5440     4.1189     4.9310     3.9754     6.5393     3.5784 
   H  59    4.7365     3.2660     4.1925     3.2100     5.7359     2.7017 
   H  60    1.6116     2.0014     0.6200     1.1202     2.2972     2.8881 
   H  61    1.1202     2.1989     0.6200     1.6116     1.5351     3.1853 
   H  62    2.1990     1.1202     1.6116     0.6200     3.1854     1.5351 
   H  63    2.0015     1.6117     1.1202     0.6200     2.8882     2.2973 
   H  64    1.4158     2.8491     2.3266     3.0317     0.6200     3.6992 
   H  65    2.8491     1.4158     3.0317     2.3266     3.6992     0.6200 
   H  66    6.5180     8.1342     6.9410     7.9254     5.5575     9.0777 
   H  67    7.8573     6.2990     7.8502     6.9276     8.7220     5.2990 
   H  68    6.2990     7.8574     6.9276     7.8503     5.2991     8.7220 
   H  69    8.1341     6.5179     7.9253     6.9409     9.0776     5.5575 

              C  31      C  32      C  33      C  34      C  35      H  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    6.7119     0.0000 
   C  33    6.4575    13.1475     0.0000 
   C  34    6.4575     1.0000    12.8041     0.0000 
   C  35    6.7118    13.4220     0.9999    13.1474     0.0000 
   H  36    4.9601     3.2955    11.2227     3.8411    11.2881     0.0000 
   H  37    5.7926     2.8571    12.0921     3.5855    12.1640     0.8768 
   H  38    5.6015     2.0755    12.0148     2.7275    12.1586     1.2400 
   H  39    3.5795     3.8715     9.8939     4.0947    10.0012     1.3832 
   H  40    4.1627     4.1832    10.2764     4.5835    10.3042     1.0475 
   H  41    4.8097     3.4214    11.0577     3.9361    11.1193     0.1724 
   H  42    2.6186     9.3304     3.8715     9.0577     4.0946     7.3699 
   H  43    2.3605     8.9765     4.1831     8.6212     4.5834     7.3010 
   H  44    3.2323     9.7987     3.4214     9.4085     3.9360     8.1776 
   H  45    3.3997     9.9507     3.2955     9.5521     3.8411     8.3475 
   H  46    4.2230    10.6645     2.8571    10.2173     3.5854     9.1820 
   H  47    4.5700    11.1797     2.0755    10.7908     2.7274     9.4755 
   H  48    2.8379     4.5720     9.0983     4.6880     9.2000     2.1408 
   H  49    2.8378     9.2000     4.6881     9.0983     4.5720     6.7692 
   H  50    6.3974     1.4158    12.8402     2.2901    13.0128     2.1202 
   H  51    5.4839    12.0706     1.4158    11.6616     2.2900    10.3917 
   H  52    5.4839     2.2901    11.6616     1.4158    12.0705     4.1365 
   H  53    6.3974    13.0129     2.2900    12.8402     1.4157    10.6189 
   H  54    3.9594     3.4279    10.0944     2.8026    10.5038     3.9349 
   H  55    3.2381     4.2678     9.2404     3.6776     9.6717     4.2971 
   H  56    2.7737     4.1302     9.0730     3.7327     9.4204     3.5634 
   H  57    5.3599    11.7794     3.4278    11.6886     2.8025     9.2201 
   H  58    5.1180    11.3027     4.2678    11.2774     3.6776     8.6089 
   H  59    4.2619    10.5616     4.1301    10.4965     3.7326     7.9804 
   H  60    2.1989     6.6019     7.4664     6.6786     7.4341     3.9145 
   H  61    2.0014     5.8180     7.9176     5.8614     7.9718     3.3170 
   H  62    2.0014     7.9719     5.8613     7.9177     5.8179     5.4973 
   H  63    2.1990     7.4342     6.6786     7.4665     6.6018     4.7835 
   H  64    1.9172     4.8415     8.3071     4.5425     8.6109     3.6666 
   H  65    1.9172     8.6110     4.5425     8.3071     4.8415     6.8010 
   H  66    7.3212     0.6200    13.7619     1.4158    14.0290     3.6779 
   H  67    6.9407    13.6013     0.6200    13.2269     1.4158    11.7573 
   H  68    6.9407     1.4158    13.2269     0.6200    13.6013     4.4537 
   H  69    7.3212    14.0290     1.4157    13.7619     0.6200    11.8584 

              H  37      H  38      H  39      H  40      H  41      H  42
              ------------------------------------------------------------------
   H  37    0.0000 
   H  38    0.8768     0.0000 
   H  39    2.2176     2.1788     0.0000 
   H  40    1.9044     2.2178     0.8768     0.0000 
   H  41    1.0474     1.3833     1.2400     0.8768     0.0000 
   H  42    8.2345     8.1434     6.0283     6.4504     7.2072     0.0000 
   H  43    8.1438     7.9603     5.9267     6.4528     7.1463     0.8767 
   H  44    9.0196     8.8274     6.8029     7.3277     8.0231     1.2400 
   H  45    9.1885     8.9923     6.9721     7.4993     8.1932     1.3831 
   H  46   10.0151     9.7893     7.8024     8.3516     9.0301     2.2176 
   H  47   10.3287    10.1713     8.1117     8.5889     9.3170     2.1787 
   H  48    2.9988     2.9746     0.8014     1.3493     1.9834     5.2364 
   H  49    7.6455     7.7218     5.5433     5.7614     6.5981     1.5974 
   H  50    1.5016     0.9164     3.0740     3.1274     2.2752     8.9720 
   H  51   11.2452    11.0854     9.0283     9.5021    10.2330     3.0741 
   H  52    4.1784     3.3145     3.8999     4.5990     4.1768     8.0157 
   H  53   11.4938    11.5824     9.4040     9.5994    10.4472     3.9000 
   H  54    4.2997     3.5677     3.1868     4.0298     3.9090     6.4571 
   H  55    4.7965     4.1536     3.3021     4.1783     4.2383     5.6532 
   H  56    4.1513     3.6080     2.4667     3.3428     3.4856     5.3384 
   H  57   10.0890    10.2380     8.0635     8.1856     9.0477     3.1870 
   H  58    9.4680     9.6732     7.5158     7.5650     8.4367     3.3023 
   H  59    8.8497     8.9999     6.8268     6.9467     7.8080     2.4668 
   H  60    4.7879     4.9354     2.7761     2.8930     3.7424     3.7517 
   H  61    4.1924     4.2402     2.0614     2.3613     3.1490     4.0911 
   H  62    6.3738     6.4531     4.2743     4.4940     5.3264     2.2691 
   H  63    5.6559     5.8022     3.6361     3.7577     4.6113     3.0851 
   H  64    4.3836     3.9934     2.3690     3.1911     3.5534     4.5176 
   H  65    7.6529     7.5065     5.4359     5.9283     6.6433     0.7900 
   H  66    3.1215     2.4379     4.3895     4.6250     3.8186     9.9393 
   H  67   12.6234    12.5222    10.4176    10.8237    11.5937     4.3895 
   H  68    4.1648     3.3191     4.7061     5.2035     4.5515     9.5219 
   H  69   12.7349    12.7451    10.5825    10.8666    11.6888     4.7061 

              H  43      H  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   H  43    0.0000 
   H  44    0.8768     0.0000 
   H  45    1.0474     0.1724     0.0000 
   H  46    1.9044     1.0474     0.8768     0.0000 
   H  47    2.2176     1.3831     1.2400     0.8768     0.0000 
   H  48    5.1638     6.0406     6.2110     7.0514     7.3347     0.0000 
   H  49    2.3642     2.8286     2.9605     3.7460     3.4944     4.7486 
   H  50    8.7453     9.6040     9.7660    10.5430    10.9621     3.8608 
   H  51    3.1274     2.2752     2.1202     1.5016     0.9165     8.2510 
   H  52    7.4982     8.2435     8.3779     8.9945     9.6169     4.2878 
   H  53    4.5990     4.1767     4.1365     4.1783     3.3145     8.6086 
   H  54    5.9300     6.6777     6.8135     7.4436     8.0531     3.3004 
   H  55    5.0903     5.8204     5.9532     6.5713     7.1916     3.1994 
   H  56    4.8899     5.6883     5.8360     6.5352     7.0714     2.3228 
   H  57    4.0299     3.9091     3.9350     4.2998     3.5677     7.2816 
   H  58    4.1783     4.2383     4.2971     4.7965     4.1536     6.7537 
   H  59    3.3428     3.4856     3.5634     4.1513     3.6079     6.0477 
   H  60    3.9759     4.8047     4.9753     5.8520     5.9304     2.0302 
   H  61    4.1439     5.0107     5.1831     6.0482     6.2404     1.2730 
   H  62    2.7113     3.4398     3.6017     4.4666     4.4230     3.4827 
   H  63    3.4562     4.2265     4.3920     5.2635     5.2485     2.8731 
   H  64    4.1357     4.9666     5.1222     5.8689     6.3440     1.9436 
   H  65    0.5801     1.4148     1.5871     2.4596     2.6758     4.6603 
   H  66    9.5931    10.4170    10.5693    11.2843    11.7977     5.1161 
   H  67    4.6249     3.8185     3.6779     3.1215     2.4380     9.6258 
   H  68    9.0498     9.8170     9.9558    10.5929    11.1957     5.2834 
   H  69    5.2033     4.5514     4.4536     4.1648     3.3191     9.7811 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    8.6085     0.0000 
   H  51    4.2879    11.8725     0.0000 
   H  52    8.2509     3.2400    10.4645     0.0000 
   H  53    3.8609    12.4669     3.2400    11.8725     0.0000 
   H  54    6.7653     3.8834     8.9061     1.5682    10.3270     0.0000 
   H  55    6.0734     4.5912     8.0385     2.4262     9.5419     0.8768 
   H  56    5.5460     4.1815     7.9530     2.7128     9.1690     1.2400 
   H  57    2.5903    11.1375     3.8835    10.8230     1.5682     9.3170 
   H  58    2.2805    10.5822     4.5913    10.4945     2.4263     9.0301 
   H  59    1.4281     9.9008     4.1815     9.6741     2.7128     8.1931 
   H  60    2.8730     5.8423     6.8221     6.1183     6.7070     4.8679 
   H  61    3.4825     5.1321     7.1508     5.2894     7.3434     4.0611 
   H  62    1.2728     7.3435     5.2894     7.1509     5.1321     5.7224 
   H  63    2.0301     6.7070     6.1183     6.8222     5.8423     5.4854 
   H  64    4.6602     4.6900     7.2416     3.5924     8.3124     2.1233 
   H  65    1.9436     8.3124     3.5924     7.2415     4.6900     5.6795 
   H  66    9.7811     1.6200    12.6894     2.8059    13.6043     4.0285 
   H  67    5.2834    13.3357     1.6200    12.0537     2.8059    10.4907 
   H  68    9.6258     2.8059    12.0538     1.6200    13.3358     3.1493 
   H  69    5.1161    13.6042     2.8059    12.6893     1.6200    11.1229 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    0.8768     0.0000 
   H  57    8.5890     8.1118     0.0000 
   H  58    8.3517     7.8024     0.8769     0.0000 
   H  59    7.4993     6.9721     1.2400     0.8768     0.0000 
   H  60    4.4546     3.6654     5.3119     4.7406     4.0720     0.0000 
   H  61    3.6973     2.8791     6.0086     5.4890     4.7751     0.8297 
   H  62    5.1078     4.4843     3.8108     3.3612     2.5900     1.6169 
   H  63    4.9728     4.2526     4.4416     3.8815     3.2018     0.8704 
   H  64    1.5812     0.8881     7.2309     6.9144     6.0855     2.8774 
   H  65    4.8686     4.5790     3.9294     3.9570     3.0916     3.4011 
   H  66    4.8763     4.7502    12.3550    11.8630    11.1326     7.1451 
   H  67    9.6280     9.5036     4.0285     4.8763     4.7501     8.0354 
   H  68    4.0227     4.1835    12.2145    11.8240    11.0325     7.2597 
   H  69   10.2914    10.0363     3.1492     4.0227     4.1834     7.9868 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    2.2129     0.0000 
   H  63    1.6169     0.8298     0.0000 
   H  64    2.1434     3.5993     3.4012     0.0000 
   H  65    3.5992     2.1434     2.8775     3.7780     0.0000 
   H  66    6.3741     8.5449     7.9869     5.4576     9.2237     0.0000 
   H  67    8.4627     6.4380     7.2596     8.7605     5.0239    14.2180 
   H  68    6.4381     8.4628     8.0356     5.0239     8.7606     1.6200 
   H  69    8.5447     6.3740     7.1450     9.2236     5.4575    14.6349 

              H  67      H  68      H  69
              ---------------------------------
   H  67    0.0000 
   H  68   13.6337     0.0000 
   H  69    1.6200    14.2180     0.0000 



ATOMIC CHARGES
   I   1    0.0000000000
  Cl   2   -0.0829784866
   N   3   -0.1966414768
   N   4   -0.3055635969
   C   5    0.0806789517
   C   6    0.0299949524
   C   7    0.1943208219
   C   8    0.0206259382
   C   9    0.0394890757
   C  10   -0.0148843701
   C  11    0.2119239490
   C  12    0.0375779022
   C  13   -0.0459014218
   C  14   -0.0459014218
   C  15   -0.0504929184
   C  16   -0.0504929184
   C  17    0.0064023873
   C  18   -0.0433482887
   C  19   -0.0512886488
   C  20   -0.0559321864
   C  21    0.0100261788
   C  22   -0.0400649916
   C  23    0.1412423987
   C  24    0.0055245572
   C  25   -0.0282859725
   C  26   -0.0284329363
   C  27   -0.0222575884
   C  28   -0.0222595191
   C  29   -0.0512781331
   C  30   -0.0557007813
   C  31    0.0473246870
   C  32   -0.0610604465
   C  33   -0.0613597971
   C  34   -0.0555259006
   C  35   -0.0599844597
   H  36    0.0243249118
   H  37    0.0243249118
   H  38    0.0243249118
   H  39    0.0243249118
   H  40    0.0243249118
   H  41    0.0243249118
   H  42    0.0241701587
   H  43    0.0241701587
   H  44    0.0241701587
   H  45    0.0241701587
   H  46    0.0241701587
   H  47    0.0241701587
   H  48    0.0679954477
   H  49    0.0633198379
   H  50    0.0622670148
   H  51    0.0621143617
   H  52    0.0683299565
   H  53    0.0636189928
   H  54    0.0993279547
   H  55    0.0993279547
   H  56    0.0993279547
   H  57    0.0431637708
   H  58    0.0431637708
   H  59    0.0431637708
   H  60    0.0316758839
   H  61    0.0316758839
   H  62    0.0316758763
   H  63    0.0316758763
   H  64    0.0622687620
   H  65    0.0621203039
   H  66    0.0617719469
   H  67    0.0617682013
   H  68    0.0619649526
   H  69    0.0618155628


BOND ANGLES
   7    3   11   C2   N2  Car    108.101
   7    3   23   C2   N2   C3    125.947
  11    3   23  Car   N2   C3    125.951
   8    4   12   C2  Npl  Car    108.101
   8    4   24   C2  Npl   C3    125.951
  12    4   24  Car  Npl   C3    125.948
   7    5    9   C2   C3  Car    108.092
   7    5   13   C2   C3   C3     89.950
   7    5   14   C2   C3   C3    161.955
   9    5   13  Car   C3   C3    161.957
   9    5   14  Car   C3   C3     89.953
  13    5   14   C3   C3   C3     72.004
   8    6   10   C2   C3  Car    108.101
   8    6   15   C2   C3   C3    161.945
   8    6   16   C2   C3   C3     89.949
  10    6   15  Car   C3   C3     89.955
  10    6   16  Car   C3   C3    161.950
  15    6   16   C3   C3   C3     71.996
   3    7    5   N2   C2   C3    108.101
   3    7   17   N2   C2   C2    125.951
   5    7   17   C3   C2   C2    125.948
   4    8    6  Npl   C2   C3    108.095
   4    8   18  Npl   C2   C2    125.950
   6    8   18   C3   C2   C2    125.955
   5    9   11   C3  Car  Car    107.855
   5    9   19   C3  Car  Car    132.144
  11    9   19  Car  Car  Car    120.001
   6   10   12   C3  Car  Car    107.854
   6   10   20   C3  Car  Car    132.144
  12   10   20  Car  Car  Car    120.002
   3   11    9   N2  Car  Car    107.850
   3   11   21   N2  Car  Car    132.149
   9   11   21  Car  Car  Car    120.001
   4   12   10  Npl  Car  Car    107.849
   4   12   22  Npl  Car  Car    132.154
  10   12   22  Car  Car  Car    119.997
   5   13   39   C3   C3   HC     90.007
   5   13   40   C3   C3   HC    179.974
   5   13   41   C3   C3   HC     90.006
  39   13   40   HC   C3   HC     89.995
  39   13   41   HC   C3   HC    179.974
  40   13   41   HC   C3   HC     89.993
   5   14   36   C3   C3   HC     89.992
   5   14   37   C3   C3   HC    179.974
   5   14   38   C3   C3   HC     89.999
  36   14   37   HC   C3   HC     90.003
  36   14   38   HC   C3   HC    179.974
  37   14   38   HC   C3   HC     90.006
   6   15   45   C3   C3   HC     90.003
   6   15   46   C3   C3   HC    179.974
   6   15   47   C3   C3   HC     89.997
  45   15   46   HC   C3   HC     90.000
  45   15   47   HC   C3   HC    179.974
  46   15   47   HC   C3   HC     90.000
   6   16   42   C3   C3   HC     90.005
   6   16   43   C3   C3   HC    179.974
   6   16   44   C3   C3   HC     90.004
  42   16   43   HC   C3   HC     89.991
  42   16   44   HC   C3   HC    179.974
  43   16   44   HC   C3   HC     90.000
   7   17   29   C2   C2   C2    120.001
   7   17   48   C2   C2   HC    119.997
  29   17   48   C2   C2   HC    120.002
   8   18   30   C2   C2   C2    119.994
   8   18   49   C2   C2   HC    120.002
  30   18   49   C2   C2   HC    120.004
   9   19   32  Car  Car  Car    120.001
   9   19   50  Car  Car   HC    120.001
  32   19   50  Car  Car   HC    119.998
  10   20   33  Car  Car  Car    119.995
  10   20   51  Car  Car   HC    120.006
  33   20   51  Car  Car   HC    120.000
  11   21   34  Car  Car  Car    120.001
  11   21   52  Car  Car   HC    120.001
  34   21   52  Car  Car   HC    119.998
  12   22   35  Car  Car  Car    120.003
  12   22   53  Car  Car   HC    119.993
  35   22   53  Car  Car   HC    120.003
   3   23   54   N2   C3   HC     89.997
   3   23   55   N2   C3   HC    179.974
   3   23   56   N2   C3   HC     90.003
  54   23   55   HC   C3   HC     90.000
  54   23   56   HC   C3   HC    179.974
  55   23   56   HC   C3   HC     90.000
   4   24   57  Npl   C3   HC     89.999
   4   24   58  Npl   C3   HC    179.974
   4   24   59  Npl   C3   HC     89.992
  57   24   58   HC   C3   HC     90.009
  57   24   59   HC   C3   HC    179.974
  58   24   59   HC   C3   HC     90.000
  27   25   29   C3   C2   C2    126.001
  27   25   31   C3   C2   C2    107.997
  29   25   31   C2   C2   C2    126.001
  28   26   30   C3   C2   C2    126.001
  28   26   31   C3   C2   C2    107.998
  30   26   31   C2   C2   C2    126.000
  25   27   28   C2   C3   C3    108.003
  25   27   60   C2   C3   HC    168.001
  25   27   61   C2   C3   HC     84.000
  28   27   60   C3   C3   HC     83.996
  28   27   61   C3   C3   HC    167.997
  60   27   61   HC   C3   HC     84.000
  26   28   27   C2   C3   C3    107.998
  26   28   62   C2   C3   HC     84.001
  26   28   63   C2   C3   HC    168.001
  27   28   62   C3   C3   HC    168.001
  27   28   63   C3   C3   HC     84.000
  62   28   63   HC   C3   HC     84.001
  17   29   25   C2   C2   C2    120.001
  17   29   64   C2   C2   HC    119.998
  25   29   64   C2   C2   HC    120.002
  18   30   26   C2   C2   C2    119.994
  18   30   65   C2   C2   HC    120.004
  26   30   65   C2   C2   HC    120.002
   2   31   25   Cl   C2   C2    126.000
   2   31   26   Cl   C2   C2    125.997
  25   31   26   C2   C2   C2    108.003
  19   32   34  Car  Car  Car    119.998
  19   32   66  Car  Car   HC    120.000
  34   32   66  Car  Car   HC    120.002
  20   33   35  Car  Car  Car    119.999
  20   33   67  Car  Car   HC    119.991
  35   33   67  Car  Car   HC    120.010
  21   34   32  Car  Car  Car    119.998
  21   34   68  Car  Car   HC    120.000
  32   34   68  Car  Car   HC    120.002
  22   35   33  Car  Car  Car    120.004
  22   35   69  Car  Car   HC    119.998
  33   35   69  Car  Car   HC    119.997


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