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disodium 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-ide trihydrate
disodium 5-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]benzimidazol-1-ide trihydrate ID: AN-30929
CAS:164579-32-2
Supplier:AN PharmaTech Co Ltd

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SMILES:S(=O)(Cc1nccc(OC)c1OC)c1nc2c([n-]1)ccc(OC(F)F)c2.S(=O)(Cc1nccc(OC)c1OC)c1nc2c([n-]1)ccc(OC(F)F)c2.[Na+].[Na+].O.O.O	11954257
FORMULA: C32H34F4N6Na2O11S2
MASS: 864.7491
EXACT MASS: 864.1458494
INTERATOMIC DISTANCES

              S   1      S   2     Na   3     Na   4      F   5      F   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    6.5363     0.0000 
  Na   3    2.1682     4.9476     0.0000 
  Na   4    8.3886     2.1682     6.5363     0.0000 
   F   5    6.9324    10.1909     6.2294    10.8419     0.0000 
   F   6    6.0147     8.5067     4.8850     9.1102     1.7320     0.0000 
   F   7    8.8153     6.9324     6.7462     6.2294     6.5363     5.1102 
   F   8    9.2432     6.0147     7.0836     4.8850     8.0828     6.5363 
   O   9    7.5528     1.7320     6.2912     2.9120    11.8527    10.1882 
   O  10    1.7320     5.8653     2.9120     7.9264     8.5656     7.5028 
   O  11    5.2245     9.1154     4.7384    10.0595     1.7320     1.7320 
   O  12    7.5463     5.2245     5.3998     4.7384     6.7619     5.1102 
   O  13    3.6055     6.6635     4.8550     8.8272    10.5266     9.5010 
   O  14    8.1880     3.6055     7.3939     4.8550    13.3389    11.7378 
   O  15    1.0000     5.6923     1.9834     7.6342     7.5928     6.5042 
   O  16    7.4192     1.0000     5.9189     1.9834    11.1699     9.4769 
   O  17   10.8949     9.4504     8.9508     8.5834     6.9920     6.0606 
   O  18   10.8386     4.3551     9.0574     2.5442    13.2365    11.5074 
   O  19   13.3298     6.8208    11.5532     5.0261    15.5052    13.7888 
   N  20    1.7764     7.5100     2.5788     9.1016     5.2799     4.5993 
   N  21    5.9462     1.7764     3.9884     2.5788     8.5529     6.8425 
   N  22    1.7763     5.9463     1.0000     7.4932     5.5764     4.4208 
   N  23    7.5099     1.7763     5.5944     1.0000     9.8697     8.1394 
   N  24    5.2039     2.6458     4.4731     4.7826    10.5918     9.0790 
   N  25    2.6458     8.5068     4.7826    10.5444     8.8901     8.2997 
   C  26    1.0000     7.4192     3.1645     9.3275     7.3611     6.6360 
   C  27    5.6922     1.0001     4.2977     3.1646     9.9328     8.3007 
   C  28    2.5787     7.4773     2.5818     8.8809     4.3589     3.6055 
   C  29    6.5450     2.5787     4.4618     2.5818     8.2619     6.5307 
   C  30    2.5787     6.5450     1.7763     7.8922     4.5826     3.4641 
   C  31    7.4773     2.5787     5.4286     1.7763     9.1286     7.3975 
   C  32    1.7320     7.5528     3.8157     9.5681     8.3610     7.6174 
   C  33    5.8653     1.7321     4.7975     3.8158    10.6948     9.1044 
   C  34    6.6124     1.0000     4.7889     1.7763     9.5464     7.8343 
   C  35    1.0000     6.6124     1.7763     8.2960     5.9446     5.0189 
   C  36    2.0000     6.8354     3.7138     8.9141     8.9162     8.0095 
   C  37    6.8354     2.0000     5.7940     3.7138    11.6316    10.0170 
   C  38    3.5400     8.2660     3.4782     9.5309     3.4641     3.0000 
   C  39    6.4948     3.5400     4.3363     3.4782     7.3975     5.6670 
   C  40    8.2660     3.5400     6.1586     2.2532     9.2124     7.5006 
   C  41    3.5400     6.4948     2.2532     7.5943     4.0000     2.6458 
   C  42    4.2910     8.2263     3.7443     9.2857     2.6458     2.0000 
   C  43    7.3892     4.2910     5.2212     3.7443     7.5006     5.8009 
   C  44    4.2910     7.3892     3.2418     8.3451     3.0000     1.7321 
   C  45    8.2263     4.2910     6.0682     3.2418     8.4458     6.7619 
   C  46    3.0000     7.1919     4.6194     9.3277     9.9105     9.0078 
   C  47    7.1919     3.0000     6.4122     4.6194    12.4102    10.8318 
   C  48    3.6055     8.1880     5.4453    10.3267    10.3608     9.5917 
   C  49    6.6634     3.6056     6.1732     5.4453    12.3215    10.8104 
   C  50    3.4641     8.7958     5.5153    10.8963     9.8870     9.2667 
   C  51    5.6640     3.4641     5.2492     5.5153    11.4414     9.9708 
   C  52    2.6457     5.2040     3.2730     7.3307     9.2716     8.0883 
   C  53    8.5067     2.6457     7.2892     3.2730    12.8218    11.1467 
   C  54    6.0147     9.2432     5.2320     9.9789     1.0000     1.0000 
   C  55    8.5067     6.0147     6.3730     5.2320     7.0894     5.5363 
   C  56    4.5826     7.2389     5.8410     9.4056    11.5121    10.5003 
   C  57    8.6628     4.5826     8.0756     5.8410    14.1296    12.5604 
   H  58    5.4588     1.0813     3.8896     3.0732     9.3616     7.7154 
   H  59    5.0961     1.5968     3.8022     3.7391     9.6169     8.0232 
   H  60    1.0813     7.6148     3.0732     9.4449     6.7777     6.1183 
   H  61    1.5968     8.0359     3.7391     9.9475     7.4828     6.8912 
   H  62    3.7624     8.8350     3.9873    10.1363     3.5191     3.3533 
   H  63    5.9751     3.7624     3.8078     3.9873     6.8558     5.1238 
   H  64    3.7624     5.9751     2.1272     7.0011     4.3433     2.8292 
   H  65    8.8350     3.7624     6.7439     2.1272     9.7897     8.0851 
   H  66    4.8667     7.4712     3.6504     8.2707     2.7430     1.2347 
   H  67    8.7748     4.8667     6.6100     3.6504     8.5970     6.9498 
   H  68    4.2100     8.4716     5.9962    10.6275    10.9807    10.2057 
   H  69    7.0090     4.2101     6.6641     5.9962    12.8472    11.3588 
   H  70    4.0130     9.4069     6.0989    11.5120    10.2488     9.7072 
   H  71    5.4006     4.0130     5.2262     6.0989    11.4530    10.0377 
   H  72    2.9083     5.7090     3.8244     7.8553     9.7040     8.5806 
   H  73    3.2380     4.8524     3.6196     7.0077     9.7352     8.4902 
   H  74    2.5121     4.7265     2.7510     6.8222     8.8615     7.6148 
   H  75    8.3529     2.9083     7.2797     3.8244    12.9828    11.3315 
   H  76    9.1033     3.2380     7.9083     3.6196    13.4250    11.7445 
   H  77    8.7022     2.5121     7.3512     2.7510    12.6892    10.9939 
   H  78    5.4603     8.6615     4.6142     9.4574     1.6199     0.8743 
   H  79    8.0786     6.0976     5.9742     5.5276     6.4745     4.9163 
   H  80    8.1394     4.5067     7.6549     5.9669    13.7699    12.2307 
   H  81    9.0005     5.1927     8.5299     6.4544    14.6327    13.0828 
   H  82    9.1982     4.7390     8.5207     5.7792    14.5069    12.9115 
   H  83    4.5067     7.7342     5.9669     9.9023    11.4280    10.4970 
   H  84    5.1927     7.6398     6.4544     9.7983    12.1244    11.1199 
   H  85    4.7390     6.7643     5.7792     8.9242    11.6287    10.5401 
   H  86   10.6025     8.8866     8.6087     7.9759     7.1127     6.0475 
   H  87   11.5148     9.9575     9.5684     9.0033     7.4857     6.6240 
   H  88   11.1186     4.5894     9.4055     2.9745    13.7601    12.0289 
   H  89   11.2023     4.7886     9.3594     2.8253    13.2844    11.5624 
   H  90   13.6155     7.0829    11.8934     5.4023    16.0029    14.2813 
   H  91   13.6839     7.2136    11.8570     5.3216    15.5958    13.8906 

              F   7      F   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   F   7    0.0000 
   F   8    1.7320     0.0000 
   O   9    8.5656     7.5028     0.0000 
   O  10    9.5760     9.7073     6.5363     0.0000 
   O  11    6.7619     8.0828    10.7018     6.8856     0.0000 
   O  12    1.7320     1.7320     6.8856     8.1081     6.5363     0.0000 
   O  13   11.3639    11.3228     6.8354     2.0000     8.8274     9.8108 
   O  14   10.5266     9.5010     2.0000     6.8354    12.0432     8.8274 
   O  15    8.7166     8.9579     6.6124     1.0000     5.9292     7.3133 
   O  16    7.5928     6.5042     1.0000     6.6124    10.1130     5.9292 
   O  17    2.5354     3.7255    11.0572    11.8461     7.7891     4.2673 
   O  18    7.9765     6.3599     4.1455    10.2163    12.5481     6.7731 
   O  19    9.8070     8.0936     6.3573    12.6592    14.9218     8.8559 
   N  20    8.2492     8.9963     8.7673     3.5072     3.5497     7.2644 
   N  21    5.2799     4.5993     3.5072     5.7604     7.6076     3.5497 
   N  22    7.0871     7.6344     7.2826     3.0842     3.9773     5.9119 
   N  23    5.5764     4.4208     3.0842     7.1718     9.0628     3.9773 
   N  24    8.8901     8.2997     2.6458     3.9698     9.1922     7.1654 
   N  25   11.4598    11.8654     9.1481     2.6458     7.1654    10.1802 
   C  26    9.7549    10.2282     8.3286     2.0000     5.6295     8.5242 
   C  27    7.3611     6.6360     2.0000     4.9072     8.7272     5.6295 
   C  28    7.4288     8.2943     8.8705     4.2550     2.6458     6.5717 
   C  29    4.3589     3.6055     4.2550     6.5552     7.5006     2.6458 
   C  30    6.6418     7.3975     7.9926     4.0464     3.0000     5.6670 
   C  31    4.5826     3.4641     4.0464     7.3697     8.4458     3.0000 
   C  32   10.5298    10.8906     8.2683     1.7320     6.6293     9.2151 
   C  33    8.3610     7.6174     1.7321     4.8042     9.4032     6.6293 
   C  34    5.9446     5.0189     2.6457     6.1970     8.5928     4.2473 
   C  35    8.0616     8.6284     7.8131     2.6457     4.2473     6.9058 
   C  36   10.4474    10.6495     7.4192     1.0000     7.1977     9.0254 
   C  37    8.9162     8.0095     1.0000     5.6923    10.3732     7.1977 
   C  38    7.3975     8.4458     9.7246     5.2394     1.7321     6.7619 
   C  39    3.4641     3.0000     5.2394     6.7661     6.7619     1.7321 
   C  40    4.0000     2.6458     4.8976     8.2742     8.7103     2.6458 
   C  41    5.7077     6.5717     8.0597     4.8976     2.6458     4.8557 
   C  42    6.5717     7.7328     9.7798     5.9215     1.0001     6.0981 
   C  43    2.6458     2.0000     5.9215     7.7415     7.0894     1.0001 
   C  44    5.6670     6.7619     8.9911     5.7734     1.7321     5.1102 
   C  45    3.0000     1.7321     5.7734     8.4422     8.0828     1.7321 
   C  46   11.3079    11.4193     7.5528     1.7320     8.1892     9.8343 
   C  47    9.9105     9.0078     1.7320     5.8653    11.0842     8.1892 
   C  48   12.1785    12.3523     8.5067     2.6457     8.6289    10.7438 
   C  49   10.3608     9.5917     2.6458     5.2039    10.9056     8.6289 
   C  50   12.2494    12.5609     9.2567     3.0000     8.1608    10.9038 
   C  51    9.8870     9.2667     3.0000     4.2142     9.9876     8.1608 
   C  52    9.6421     9.5936     5.6923     1.0000     7.6335     8.0796 
   C  53    9.2716     8.0883     1.0000     7.4192    11.6922     7.6335 
   C  54    6.0981     7.5363    10.8906     7.6174     1.0000     6.0981 
   C  55    1.0000     1.0000     7.6174     9.1044     7.0894     1.0000 
   C  56   12.2825    12.1735     7.1919     3.0000     9.8071    10.7008 
   C  57   11.5121    10.5003     3.0000     7.1919    12.7787     9.8071 
   H  58    6.7777     6.1183     2.5068     4.8573     8.1953     5.0459 
   H  59    7.4828     6.8912     2.5068     4.2876     8.3437     5.7554 
   H  60    9.4701    10.0393     8.6268     2.5068     5.0459     8.3190 
   H  61   10.2443    10.7727     8.9236     2.5068     5.7554     9.0597 
   H  62    7.9506     9.0378    10.2650     5.4908     1.8397     7.3629 
   H  63    3.5191     3.3533     5.4908     6.3540     6.1646     1.8397 
   H  64    5.2285     6.0072     7.5765     4.9535     3.1408     4.2822 
   H  65    4.3433     2.8292     4.9535     8.7816     9.3187     3.1408 
   H  66    5.1562     6.3400     9.1177     6.2990     1.8397     4.7377 
   H  67    2.7430     1.2347     6.2990     9.0371     8.3528     1.8397 
   H  68   12.7101    12.8350     8.6735     3.1407     9.2489    11.2478 
   H  69   10.9807    10.2057     3.1408     5.4722    11.4024     9.2489 
   H  70   12.8199    13.1587     9.8392     3.6200     8.5328    11.4944 
   H  71   10.2488     9.7072     3.6200     3.8529     9.9470     8.5328 
   H  72   10.2581    10.2126     6.0695     1.1766     8.0385     8.6993 
   H  73    9.7346     9.5751     5.1968     1.6200     8.1246     8.1239 
   H  74    9.0268     8.9750     5.3604     1.1766     7.2591     7.4600 
   H  75    9.7040     8.5806     1.1766     7.1677    11.7899     8.0385 
   H  76    9.7352     8.4902     1.6200     7.9805    12.3072     8.1246 
   H  77    8.8615     7.6148     1.1766     7.7124    11.6269     7.2591 
   H  78    5.8956     7.2462    10.2977     7.0367     0.8743     5.7357 
   H  79    0.8743     1.6200     7.7526     8.7672     6.4745     0.8743 
   H  80   11.4280    10.4970     3.0634     6.6334    12.3798     9.7082 
   H  81   12.1244    11.1199     3.6200     7.4718    13.2521    10.4164 
   H  82   11.6287    10.5401     3.0634     7.7597    13.1946     9.9437 
   H  83   12.5313    12.4992     7.7597     3.0634     9.7082    10.9856 
   H  84   12.8581    12.7119     7.4718     3.6200    10.4164    11.2619 
   H  85   12.0604    11.8713     6.6334     3.0634     9.9437    10.4452 
   H  86    2.0192     3.1094    10.4774    11.4846     7.7790     3.7415 
   H  87    3.0858     4.1199    11.5402    12.4618     8.3473     4.8129 
   H  88    8.5853     6.9764     4.1393    10.4102    13.0281     7.3551 
   H  89    7.8001     6.1372     4.7142    10.6519    12.6722     6.7046 
   H  90   10.3830     8.6763     6.4740    12.8765    15.3780     9.3914 
   H  91    9.7438     8.0170     6.8559    13.0727    15.0778     8.8912 

              O  13      O  14      O  15      O  16      O  17      O  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    6.5363     0.0000 
   O  15    3.0000     7.1919     0.0000 
   O  16    7.1919     3.0000     6.5363     0.0000 
   O  17   13.7080    13.0324    10.9334    10.0733     0.0000 
   O  18   10.8560     5.5376    10.0316     3.6668    10.0318     0.0000 
   O  19   13.1809     7.3413    12.5106     6.0561    11.5451     2.4978 
   N  20    5.3511     9.6540     2.6708     8.4675    10.0487    11.6303 
   N  21    7.0368     5.3511     5.2929     2.6708     7.8146     5.1221 
   N  22    5.0840     8.3289     2.0845     6.9188     9.1225    10.0243 
   N  23    8.2322     5.0840     6.8020     2.0845     8.0219     3.5354 
   N  24    4.2142     3.0000     4.2142     3.0000    11.4174     6.6505 
   N  25    3.0000     9.2567     3.0000     9.2567    13.5051    12.8600 
   C  26    3.4641     8.7957     1.7320     8.2683    11.7749    11.7497 
   C  27    5.6640     3.4641     4.8042     1.7321     9.8964     5.3130 
   C  28    6.1826     9.9401     3.3235     8.4632     9.1284    11.4248 
   C  29    7.9430     6.1826     5.9926     3.3235     6.8851     5.0480 
   C  30    6.0409     9.1652     3.0518     7.5380     8.5027    10.4364 
   C  31    8.6273     6.0409     6.8740     3.0518     7.0317     4.1168 
   C  32    2.6457     8.5067     2.0000     8.3286    12.6269    11.9078 
   C  33    5.2039     2.6458     4.9072     2.0000    10.8963     5.6540 
   C  34    7.2389     4.5826     5.8653     1.7320     8.4569     4.2693 
   C  35    4.5826     8.6628     1.7320     7.5528    10.0453    10.8044 
   C  36    1.7320     7.5528     1.7320     7.5528    12.6601    11.1783 
   C  37    5.8653     1.7320     5.8653     1.7320    11.4408     5.1426 
   C  38    7.1438    10.8697     4.3196     9.2615     8.8574    12.0708 
   C  39    8.3285     7.1438     6.0819     4.3196     5.9994     5.8416 
   C  40    9.5940     6.8971     7.7246     3.8981     6.3304     4.1298 
   C  41    6.8971     9.4096     3.8981     7.4944     7.5093    10.1238 
   C  42    7.8811    11.0766     4.9539     9.2261     7.9086    11.8015 
   C  43    9.3262     7.8811     7.0290     4.9539     5.1597     5.8508 
   C  44    7.7704    10.3869     4.7758     8.3855     7.1773    10.8475 
   C  45    9.9156     7.7704     7.7941     4.7758     5.3537     5.0693 
   C  46    1.0000     7.4192     2.6457     7.8131    13.5672    11.4758 
   C  47    5.6923     1.0000     6.1970     2.6457    12.4371     5.7607 
   C  48    1.7320     8.2683     3.4641     8.7957    14.3881    12.4610 
   C  49    4.8042     1.7321     5.6640     3.4641    12.8961     6.7415 
   C  50    2.6458     9.1481     3.6056     9.4703    14.3589    13.1194 
   C  51    3.9698     2.6458     4.6647     3.6056    12.4156     7.1393 
   C  52    1.7320     5.8653     1.7320     5.8653    12.0071     9.5147 
   C  53    7.5528     1.7320     7.5528     1.7320    11.7228     3.8294 
   C  54    9.5917    12.3523     6.6360    10.2282     6.9111    12.4108 
   C  55   10.8105     9.5917     8.3008     6.6360     3.4408     6.9988 
   C  56    1.0000     6.6124     4.0000     7.6631    14.6527    11.2957 
   C  57    6.6124     1.0000     7.6631     4.0000    14.0226     6.3565 
   H  58    5.8244     4.0761     4.6290     2.0295     9.3128     5.4031 
   H  59    5.0944     3.7220     4.1951     2.3451    10.0133     5.9309 
   H  60    4.0761     9.2061     2.0295     8.5004    11.4109    11.9078 
   H  61    3.7220     9.3381     2.3451     8.8796    12.2048    12.3688 
   H  62    7.3302    11.3558     4.6214     9.8275     9.3230    12.6778 
   H  63    7.9973     7.3302     5.6198     4.6214     6.0293     6.4063 
   H  64    6.9369     8.9993     3.9681     6.9722     7.1535     9.5246 
   H  65   10.0350     6.9369     8.2659     3.9681     6.5546     3.6590 
   H  66    8.2990    10.5985     5.2991     8.4579     6.5784    10.7382 
   H  67   10.5292     8.2990     8.3709     5.2991     4.9473     5.2335 
   H  68    1.8396     8.2915     4.0130     9.0260    14.9463    12.6917 
   H  69    4.8440     1.8397     6.0154     4.0131    13.5161     7.1590 
   H  70    3.1408     9.6732     4.2100    10.0713    14.9007    13.7246 
   H  71    3.4066     3.1408     4.4119     4.2100    12.7664     7.7585 
   H  72    1.1120     6.0573     2.1115     6.3177    12.6151     9.9811 
   H  73    1.8397     5.2694     2.2901     5.4431    12.1473     9.1078 
   H  74    2.3520     5.7343     1.5200     5.4461    11.4006     9.0669 
   H  75    7.1574     1.1120     7.3790     2.1115    12.1795     4.4388 
   H  76    8.0280     1.8397     8.1430     2.2901    12.1585     3.7557 
   H  77    7.9767     2.3520     7.7722     1.5200    11.2818     3.2241 
   H  78    9.0190    11.7418     6.0499     9.6503     6.9333    11.9122 
   H  79   10.5280     9.6994     7.9294     6.7908     3.4028     7.4349 
   H  80    6.0002     1.1766     7.1416     4.0478    13.9528     6.7087 
   H  81    6.7341     1.6200     8.0042     4.6200    14.6372     6.8882 
   H  82    7.2258     1.1766     8.1983     4.0478    14.1194     6.0474 
   H  83    1.1766     7.2258     4.0478     8.1983    14.8611    11.8448 
   H  84    1.6200     6.7341     4.6200     8.0042    15.2419    11.6032 
   H  85    1.1766     6.0002     4.0478     7.1416    14.4679    10.7542 
   H  86   13.3165    12.4583    10.5915     9.4900     0.6201     9.4121 
   H  87   14.3187    13.5243    11.5513    10.5505     0.6200    10.3391 
   H  88   10.9410     5.3353    10.2814     3.8036    10.6515     0.6200 
   H  89   11.3618     6.1524    10.4235     4.1725     9.7542     0.6201 
   H  90   13.3093     7.2969    12.7726     6.2647    12.1514     2.8587 
   H  91   13.6573     7.9139    12.8873     6.4953    11.3730     2.8587 

              O  19      N  20      N  21      N  22      N  23      N  24
              ------------------------------------------------------------------
   O  19    0.0000 
   N  20   14.1242     0.0000 
   N  21    7.6035     6.5363     0.0000 
   N  22   12.5171     1.6095     4.9268     0.0000 
   N  23    6.0030     8.1458     1.6095     6.5363     0.0000 
   N  24    8.9688     6.6561     3.7016     5.3701     4.3906     0.0000 
   N  25   15.3050     3.7016     8.2793     4.3906     9.7552     6.5363 
   C  26   14.2335     2.0845     6.9187     2.6707     8.4674     5.8653 
   C  27    7.7532     6.8020     2.0845     5.2929     2.6708     1.7320 
   C  28   13.9009     0.9941     6.3029     1.6117     7.8979     6.9752 
   C  29    7.4523     6.9062     0.9941     5.3165     1.6117     4.6944 
   C  30   12.9086     1.6118     5.3164     0.9941     6.9061     6.2486 
   C  31    6.4813     7.8980     1.6118     6.3030     0.9941     5.0499 
   C  32   14.3642     3.0842     7.2826     3.5071     8.7672     5.6922 
   C  33    7.9907     7.1718     3.0842     5.7604     3.5072     1.0000 
   C  34    6.7664     7.3643     0.9941     5.7612     0.9940     3.4641 
   C  35   13.3020     0.9941     5.7611     0.9940     7.3642     5.6640 
   C  36   13.6075     3.6729     6.7596     3.6728     8.1690     4.8042 
   C  37    7.3487     8.1691     3.6729     6.7597     3.6728     1.7321 
   C  38   14.5227     1.8227     6.9712     2.5575     8.5356     7.9249 
   C  39    8.1656     6.5950     1.8227     5.0668     2.5575     5.4452 
   C  40    6.2942     8.5357     2.5576     6.9713     1.8227     6.0481 
   C  41   12.5580     2.5576     5.0667     1.8227     6.5949     6.6020 
   C  42   14.2121     2.6955     6.7827     2.9791     8.2858     8.2064 
   C  43    8.0179     7.3467     2.6955     5.8773     2.9791     6.3819 
   C  44   13.2431     2.9791     5.8772     2.6955     7.3466     7.5984 
   C  45    7.1244     8.2859     2.9791     6.7827     2.6955     6.6477 
   C  46   13.8529     4.6537     7.3389     4.6537     8.6545     4.9072 
   C  47    7.7938     8.6545     4.6537     7.3390     4.6537     2.0000 
   C  48   14.8260     5.0840     8.3289     5.3511     9.6539     5.8653 
   C  49    8.7938     8.2322     5.0840     7.0368     5.3511     1.7320 
   C  50   15.5236     4.6765     8.7587     5.2388    10.1652     6.6124 
   C  51    9.3369     7.2436     4.6765     6.0832     5.2388     1.0000 
   C  52   11.9200     4.3906     5.3701     3.7016     6.6561     3.0722 
   C  53    5.7938     9.7552     4.3906     8.2793     3.7016     3.4641 
   C  54   14.7219     4.4208     7.6343     4.5992     8.9962     9.5936 
   C  55    8.8903     8.1395     4.4208     6.8425     4.5992     8.0883 
   C  56   13.5453     6.3089     7.7899     6.0839     8.8846     4.6647 
   C  57    7.9772    10.2160     6.3089     8.9743     6.0839     3.6056 
   H  58    7.8826     6.4404     1.5257     4.8896     2.4079     2.1829 
   H  59    8.3731     6.2605     2.2920     4.7861     3.1632     1.4155 
   H  60   14.4010     1.5257     6.9731     2.4079     8.5519     6.2401 
   H  61   14.8517     2.2920     7.5338     3.1632     9.0858     6.4333 
   H  62   15.1337     1.9871     7.5716     3.0271     9.1424     8.3896 
   H  63    8.7573     6.0013     1.9871     4.4933     3.0271     5.3970 
   H  64   11.9514     3.0272     4.4932     1.9872     6.0012     6.2653 
   H  65    5.7317     9.1425     3.0272     7.5717     1.9872     6.3523 
   H  66   13.0947     3.5979     5.8787     3.2152     7.2795     7.8853 
   H  67    7.1344     8.7623     3.5979     7.2890     3.2152     7.2585 
   H  68   15.0205     5.7039     8.7211     5.9433     9.9943     6.0536 
   H  69    9.1178     8.6288     5.7039     7.4969     5.9433     2.2901 
   H  70   16.1217     5.1080     9.3784     5.7788    10.7842     7.1935 
   H  71    9.9542     7.0479     5.1080     5.9947     5.7788     1.4158 
   H  72   12.3583     4.6838     5.9625     4.1666     7.2121     3.4246 
   H  73   11.4815     4.9607     5.2105     4.1598     6.3942     2.5541 
   H  74   11.4986     4.1697     4.7849     3.2884     6.1124     2.8139 
   H  75    6.3369     9.6836     4.6838     8.2555     4.1666     3.1995 
   H  76    5.5070    10.3689     4.9607     8.8977     4.1598     4.0131 
   H  77    5.2679     9.8653     4.1697     8.3493     3.2884     3.8121 
   H  78   14.2499     3.9219     7.0758     3.9991     8.4687     8.9749 
   H  79    9.4037     7.6258     4.4215     6.3810     4.8120     8.0173 
   H  80    8.4460     9.7249     6.1737     8.5289     6.1092     3.1879 
   H  81    8.4070    10.5969     6.9087     9.4057     6.7039     4.0601 
   H  82    7.5303    10.7204     6.5006     9.4395     6.1216     4.0751 
   H  83   14.1166     6.1737     8.1915     6.1092     9.3461     5.1988 
   H  84   13.8028     6.9087     8.2832     6.7039     9.3201     5.0243 
   H  85   12.9784     6.5006     7.4185     6.1216     8.4434     4.1546 
   H  86   10.9404     9.8433     7.2752     8.8394     7.4306    10.9062 
   H  87   11.7474    10.6615     8.3490     9.7423     8.4848    11.9758 
   H  88    2.2527    11.9838     5.5255    10.3845     3.9745     6.7269 
   H  89    2.2527    11.9197     5.3850    10.3104     3.7767     7.1705 
   H  90    0.6200    14.4703     7.9785    12.8676     6.3939     9.1110 
   H  91    0.6201    14.4173     7.8819    12.8079     6.2729     9.4432 

              N  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   N  25    0.0000 
   C  26    1.7321     0.0000 
   C  27    7.5528     6.5362     0.0000 
   C  28    4.6944     3.0518     6.8739     0.0000 
   C  29    8.9926     7.5380     3.0518     6.5363     0.0000 
   C  30    5.0499     3.3235     5.9926     1.0000     5.5363     0.0000 
   C  31    9.8693     8.4632     3.3235     7.5363     1.0000     6.5363 
   C  32    1.0001     1.0000     6.6123     4.0464     7.9926     4.2550 
   C  33    7.4192     6.6123     1.0000     7.3696     4.0464     6.5552 
   C  34    8.7958     7.5528     1.7321     7.2007     1.6094     6.2271 
   C  35    3.4641     1.7320     5.8653     1.6094     6.2271     1.6094 
   C  36    1.7321     1.7320     5.8653     4.5573     7.5469     4.5573 
   C  37    8.2684     7.5528     1.7321     8.3683     4.5573     7.5469 
   C  38    5.4452     3.8981     7.7246     1.0000     7.0894     1.7320 
   C  39    9.0523     7.4944     3.8981     6.0981     1.0000     5.1102 
   C  40   10.7246     9.2615     4.3197     8.0828     1.7320     7.0894 
   C  41    6.0481     4.3196     6.0818     1.7320     5.1102     1.0000 
   C  42    6.3819     4.7758     7.7940     1.7320     6.7619     2.0000 
   C  43    9.9779     8.3855     4.7759     6.7619     1.7320     5.8009 
   C  44    6.6477     4.9539     7.0289     2.0000     5.8009     1.7320 
   C  45   10.7747     9.2261     4.9539     7.7328     2.0000     6.7619 
   C  46    2.0000     2.6457     6.1969     5.5524     8.1863     5.5524 
   C  47    8.3287     7.8131     2.6458     8.9492     5.5524     8.1863 
   C  48    1.7321     3.0000     7.1918     6.0409     9.1652     6.1826 
   C  49    7.5528     7.1918     3.0000     8.6273     6.0409     7.9429 
   C  50    1.0000     2.6458     7.8131     5.6654     9.5356     5.9633 
   C  51    6.6124     6.1969     2.6457     7.6625     5.6654     7.0075 
   C  52    3.4641     2.9999     4.2142     5.0498     6.2487     4.6943 
   C  53   10.0004     9.2566     3.0000     9.8693     5.0498     8.9925 
   C  54    8.0883     6.5042     8.9578     3.4641     7.3975     3.6055 
   C  55   11.1468     9.4769     6.5042     7.3975     3.4641     6.5307 
   C  56    3.6056     4.3589     6.2514     7.1613     8.7264     7.0393 
   C  57    9.4703     9.1850     4.3589    10.5766     7.1613     9.8519 
   H  58    7.4858     6.3510     0.6200     6.4412     2.5146     5.5292 
   H  59    6.9330     5.9267     0.6199     6.3839     3.2860     5.5349 
   H  60    2.1829     0.6200     6.7734     2.5146     7.5235     2.9119 
   H  61    1.4155     0.6200     7.1476     3.2860     8.1417     3.7082 
   H  62    5.3970     3.9681     8.2658     1.4158     7.7051     2.2901 
   H  63    8.5625     6.9722     3.9681     5.4851     1.4158     4.5004 
   H  64    6.3523     4.6214     5.6197     2.2901     4.5004     1.4158 
   H  65   11.2648     9.8275     4.6215     8.6995     2.2901     7.7051 
   H  66    7.2585     5.5575     7.1902     2.6200     5.6976     2.2901 
   H  67   11.3420     9.7734     5.5576     8.1678     2.6200     7.2125 
   H  68    2.2901     3.6200     7.4717     6.6599     9.5844     6.7887 
   H  69    7.6999     7.4717     3.6200     9.0715     6.6599     8.4232 
   H  70    1.4158     3.1408     8.4218     6.1019    10.1529     6.4630 
   H  71    6.1408     5.8521     3.1407     7.5386     6.1019     6.9495 
   H  72    3.1995     3.0634     4.7113     5.4191     6.8530     5.1500 
   H  73    4.0131     3.6200     3.8528     5.5759     6.1332     5.1530 
   H  74    3.8121     3.0633     3.7539     4.7334     5.6478     4.2803 
   H  75    9.7053     9.0564     3.0635     9.8598     5.4191     9.0166 
   H  76   10.5420     9.8392     3.6201    10.4887     5.5759     9.6126 
   H  77   10.3244     9.4933     3.0634     9.9176     4.7334     9.0112 
   H  78    7.6148     5.9952     8.3563     2.9436     6.8801     3.0074 
   H  79   10.7239     9.0354     6.4989     6.8558     3.5191     6.0141 
   H  80    8.8738     8.6311     4.1517    10.1218     7.0693     9.4279 
   H  81    9.6525     9.4715     4.9340    10.9984     7.7708    10.3035 
   H  82   10.0697     9.7469     4.6403    11.0475     7.3049    10.2958 
   H  83    3.1879     4.1517     6.7396     7.0693     9.1075     7.0344 
   H  84    4.0601     4.9340     6.6652     7.7708     9.2332     7.6586 
   H  85    4.0751     4.6402     5.7886     7.3049     8.3740     7.0986 
   H  86   13.2298    11.5048     9.3595     8.9482     6.3319     8.2715 
   H  87   14.1245    12.3941    10.4333     9.7373     7.4053     9.1193 
   H  88   13.0558    12.0085     5.5068    11.8195     5.5322    10.8386 
   H  89   13.2898    12.1304     5.7677    11.6678     5.2000    10.6728 
   H  90   15.5199    14.5013     7.9848    14.2814     7.8872    13.2942 
   H  91   15.7172    14.6024     8.1669    14.1560     7.6579    13.1594 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    8.8705     0.0000 
   C  33    4.2551     6.5362     0.0000 
   C  34    1.6094     7.8131     2.6458     0.0000 
   C  35    7.2007     2.6457     6.1969     6.5363     0.0000 
   C  36    8.3683     1.0000     5.6922     7.1919     3.0000     0.0000 
   C  37    4.5573     7.4192     1.0001     3.0000     7.1919     6.5363 
   C  38    8.0828     4.8976     8.2741     7.9080     2.5961     5.4877 
   C  39    1.7320     8.0597     4.8976     2.5961     6.0325     7.7308 
   C  40    1.0000     9.7246     5.2394     2.5961     7.9080     9.2688 
   C  41    6.0981     5.2394     6.7661     6.0325     2.5961     5.4877 
   C  42    7.7328     5.7734     8.4421     7.7556     3.2999     6.2817 
   C  43    2.0000     8.9911     5.7734     3.2999     6.8612     8.6975 
   C  44    6.7619     5.9215     7.7414     6.8612     3.2999     6.2817 
   C  45    1.7320     9.7798     5.9215     3.2999     7.7556     9.4191 
   C  46    8.9492     1.7320     5.8653     7.6631     4.0000     1.0000 
   C  47    5.5524     7.5528     1.7321     4.0000     7.6631     6.6124 
   C  48    9.9401     2.0000     6.8353     8.6628     4.5826     1.7320 
   C  49    6.1826     6.8353     2.0000     4.5826     7.2389     5.8653 
   C  50   10.3665     1.7321     7.5528     9.1851     4.3589     2.0000 
   C  51    5.9633     5.8653     1.7320     4.3589     6.2514     4.9072 
   C  52    6.9753     2.6457     3.9698     5.6640     3.4641     1.7320 
   C  53    4.6943     9.1480     2.6458     3.4641     8.7957     8.2683 
   C  54    8.2943     7.5028     9.7072     8.6284     5.0189     8.0095 
   C  55    3.6055    10.1882     7.5028     5.0189     7.8343    10.0170 
   C  56    9.3536     3.4641     5.6640     7.8995     5.5678     2.6457 
   C  57    7.0393     8.7957     3.4641     5.5678     9.2219     7.8131 
   H  58    2.9119     6.5192     1.5967     1.4156     5.5348     5.8420 
   H  59    3.7082     5.9925     1.0812     2.1829     5.3090     5.2478 
   H  60    8.4754     1.5967     6.9314     7.6695     1.4156     2.3451 
   H  61    9.0727     1.0812     7.2023     8.1726     2.1829     2.0295 
   H  62    8.6995     4.9535     8.7816     8.5009     2.8921     5.6337 
   H  63    2.2901     7.5765     4.9535     2.8921     5.4690     7.2996 
   H  64    5.4851     5.4908     6.3540     5.4690     2.8921     5.6337 
   H  65    1.4158    10.2650     5.4909     2.8921     8.5009     9.7796 
   H  66    6.6269     6.5180     7.9559     6.8718     3.8842     6.8469 
   H  67    2.2901    10.3497     6.5180     3.8842     8.2704    10.0096 
   H  68   10.3279     2.6200     7.0418     9.0005     5.1927     2.2901 
   H  69    6.7887     7.0418     2.6200     5.1927     7.6397     6.0536 
   H  70   10.9860     2.2901     8.1429     9.8035     4.8708     2.6200 
   H  71    6.4630     5.4431     2.2900     4.8708     6.0651     4.4638 
   H  72    7.5626     2.5120     4.3729     6.2182     3.8121     1.5200 
   H  73    6.7934     3.2380     3.4963     5.4006     4.0130     2.2901 
   H  74    6.3942     2.9082     3.6284     5.1250     3.1995     2.1114 
   H  75    5.1500     8.8850     2.5121     3.8121     8.7089     7.9764 
   H  76    5.1530     9.7052     3.2380     4.0130     9.4069     8.8108 
   H  77    4.2803     9.4444     2.9083     3.1995     8.9249     8.5951 
   H  78    7.7967     6.9898     9.0963     8.0690     4.4610     7.4594 
   H  79    3.8242     9.7788     7.4982     5.1180     7.3672     9.6560 
   H  80    7.0344     8.2156     3.1995     5.5055     8.7321     7.2284 
   H  81    7.6586     9.0260     4.0131     6.1810     9.6046     8.0330 
   H  82    7.0986     9.3809     3.8121     5.6972     9.7266     8.4028 
   H  83    9.7738     3.1995     6.1985     8.3557     5.5055     2.5121 
   H  84    9.8281     4.0130     6.0154     8.3431     6.1810     3.2380 
   H  85    8.9568     3.8121     5.1485     7.4670     5.6972     2.9083 
   H  86    6.4431    12.3320    10.3594     7.8902     9.7824    12.3225 
   H  87    7.5006    13.2468    11.4332     8.9603    10.6643    13.2785 
   H  88    4.6314    12.1190     5.7437     4.6256    11.1336    11.3558 
   H  89    4.2291    12.3272     6.1710     4.5954    11.1210    11.6241 
   H  90    6.9324    14.5930     8.1500     7.1065    13.6277    13.8099 
   H  91    6.6703    14.7664     8.4565     7.0868    13.6175    14.0313 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    9.2688     0.0000 
   C  39    5.4877     6.5363     0.0000 
   C  40    5.4877     8.5363     2.0000     0.0000 
   C  41    7.7308     2.0000     4.5363     6.5363     0.0000 
   C  42    9.4191     1.0000     6.0981     8.0828     1.7320     0.0000 
   C  43    6.2817     7.0894     1.0000     1.7320     5.1102     6.5363 
   C  44    8.6975     1.7320     5.1102     7.0894     1.0000     1.0000 
   C  45    6.2817     8.0828     1.7320     1.0000     6.0981     7.5363 
   C  46    6.6124     6.4735     8.4591     9.8844     6.4735     7.2790 
   C  47    1.0000     9.8844     6.4735     6.4735     8.4591    10.1115 
   C  48    7.5528     6.8971     9.4096    10.8697     7.1438     7.7704 
   C  49    1.7321     9.5939     6.8971     7.1438     8.3284     9.9155 
   C  50    8.3287     6.4376     9.6817    11.2610     6.9549     7.3656 
   C  51    2.0000     8.6368     6.4376     6.9549     7.4417     8.9927 
   C  52    4.8043     6.0480     6.6021     7.9249     5.4452     6.6477 
   C  53    1.7320    10.7246     6.0480     5.4452     9.0522    10.7747 
   C  54   10.6495     2.6458     6.5717     8.4458     3.0000     1.7321 
   C  55    8.0095     7.5006     2.6458     3.0000     5.6670     6.7619 
   C  56    6.1970     8.1133     9.1736    10.3362     7.8969     8.8676 
   C  57    2.6457    11.5301     8.1133     7.8969    10.1653    11.7990 
   H  58    2.3451     7.2585     3.3141     3.9110     5.5545     7.2778 
   H  59    2.0295     7.2628     4.0318     4.7076     5.7017     7.3907 
   H  60    7.8941     3.3141     7.3978     9.2296     3.9110     4.2190 
   H  61    8.1330     4.0318     8.0752     9.8621     4.7076     4.9665 
   H  62    9.7796     0.6200     7.1563     9.1563     2.6200     1.4158 
   H  63    5.6337     5.9163     0.6200     2.6200     3.9163     5.4851 
   H  64    7.2996     2.6200     3.9163     5.9163     0.6200     2.2901 
   H  65    5.6337     9.1563     2.6200     0.6200     7.1563     8.6995 
   H  66    8.8890     2.2901     4.9301     6.8711     1.4158     1.4158 
   H  67    6.8469     8.4634     2.2901     1.4158     6.4995     7.8647 
   H  68    7.6999     7.5170     9.8730    11.2732     7.7440     8.3898 
   H  69    2.2901    10.0488     7.5170     7.7440     8.8486    10.4080 
   H  70    8.9022     6.8248    10.2903    11.8790     7.4602     7.7757 
   H  71    2.6200     8.5271     6.8248     7.4602     7.4594     8.9476 
   H  72    5.1424     6.4081     7.2198     8.5196     5.9478     7.0653 
   H  73    4.2785     6.5759     6.5751     7.7653     5.8452     7.1313 
   H  74    4.5263     5.7326     5.9849     7.3346     4.9694     6.2639 
   H  75    1.5200    10.7447     6.4081     5.9478     9.1442    10.8520 
   H  76    2.2901    11.3446     6.5759     5.8452     9.6684    11.3920 
   H  77    2.1114    10.7402     5.7326     4.9694     9.0022    10.7327 
   H  78   10.0424     2.2146     6.0860     7.9965     2.3801     1.2347 
   H  79    8.0720     6.9224     2.6009     3.3533     5.1238     6.1646 
   H  80    2.5121    11.0864     7.9935     7.9317     9.7867    11.3930 
   H  81    3.2380    11.9632     8.7178     8.5169    10.6540    12.2664 
   H  82    2.9083    11.9894     8.2779     7.9107    10.5668    12.2229 
   H  83    6.7689     7.9935     9.5043    10.7467     7.9317     8.7935 
   H  84    6.4720     8.7178     9.7124    10.8172     8.5169     9.4807 
   H  85    5.6352     8.2779     8.8740     9.9474     7.9107     8.9841 
   H  86   10.8814     8.7427     5.4701     5.7238     7.2890     7.8197 
   H  87   11.9532     9.4509     6.5427     6.7563     8.1250     8.4955 
   H  88    5.1376    12.4948     6.3629     4.7093    10.5672    12.2601 
   H  89    5.7060    12.2758     5.9213     4.0930    10.3073    11.9594 
   H  90    7.4498    14.9290     8.6364     6.8035    12.9780    14.6481 
   H  91    7.8526    14.7461     8.3164     6.3924    12.7673    14.3973 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    5.5363     0.0000 
   C  45    1.0000     6.5363     0.0000 
   C  46    9.4430     7.2790    10.1115     0.0000 
   C  47    7.2790     9.4430     7.2790     6.5363     0.0000 
   C  48   10.3869     7.8811    11.0766     1.0000     7.4192     0.0000 
   C  49    7.7704     9.3261     7.8811     5.6922     1.0001     6.5362 
   C  50   10.6340     7.5971    11.3850     1.7321     8.2684     1.0001 
   C  51    7.3656     8.4416     7.5971     4.8042     1.7321     5.6922 
   C  52    7.5985     6.3818     8.2064     2.0000     4.9073     2.9999 
   C  53    6.6477     9.9778     6.3818     8.3286     2.0000     9.2566 
   C  54    6.7619     2.0000     7.7328     9.0078    11.4193     9.5010 
   C  55    1.7321     5.8009     2.0000    10.8318     9.0078    11.7378 
   C  56   10.1736     8.7694    10.7164     1.7320     5.8653     2.0000 
   C  57    8.8676    11.1540     8.7694     7.5528     1.7320     8.3286 
   H  58    4.2190     6.4846     4.4672     6.2685     3.2657     7.2685 
   H  59    4.9665     6.6710     5.2554     5.5968     2.8113     6.5939 
   H  60    8.2511     4.4672     9.1274     3.2657     8.2147     3.5889 
   H  61    8.9530     5.2554     9.8072     2.8113     8.3624     2.9561 
   H  62    7.7051     2.2901     8.6995     6.5978    10.3649     6.9369 
   H  63    1.4158     4.5004     2.2901     8.0670     6.5978     8.9993 
   H  64    4.5004     1.4158     5.4851     6.5978     8.0670     7.3302 
   H  65    2.2901     7.7051     1.4158    10.3649     6.5978    11.3558 
   H  66    5.2538     0.6201     6.2494     7.8408     9.6753     8.4663 
   H  67    1.4158     6.8673     0.6201    10.7140     7.8408    11.6753 
   H  68   10.8580     8.4924    11.5196     1.4158     7.4866     0.6200 
   H  69    8.3898     9.8481     8.4924     5.7798     1.4158     6.5655 
   H  70   11.2388     8.0622    11.9967     2.2901     8.8108     1.4158 
   H  71    7.7757     8.4572     8.0622     4.2785     2.2901     5.1368 
   H  72    8.2168     6.8610     8.8173     1.4955     5.1352     2.4824 
   H  73    7.5750     6.8057     8.1188     2.3716     4.3227     3.3533 
   H  74    6.9806     5.9289     7.5972     2.5557     4.7498     3.5504 
   H  75    7.0653    10.0921     6.8610     7.9718     1.4955     8.8767 
   H  76    7.1313    10.5909     6.8057     8.8323     2.3716     9.7442 
   H  77    6.2639     9.9012     5.9289     8.7149     2.5557     9.6615 
   H  78    6.3400     1.3801     7.3245     8.4591    10.8057     8.9825 
   H  79    1.8397     5.2125     2.3716    10.4989     9.0634    11.3843 
   H  80    8.7935    10.7813     8.7655     6.9462     1.5200     7.7134 
   H  81    9.4807    11.6473     9.3889     7.6999     2.2901     8.4255 
   H  82    8.9841    11.5479     8.8171     8.1613     2.1114     8.9444 
   H  83   10.5022     8.7655    11.0850     1.5200     6.4667     1.4955 
   H  84   10.7122     9.3889    11.2290     2.2901     6.0537     2.3715 
   H  85    9.8729     8.8171    10.3718     2.1114     5.2684     2.5558 
   H  86    4.6012     7.0353     4.7530    13.2122    11.8794    14.0538 
   H  87    5.6742     7.7795     5.7980    14.1839    12.9516    15.0069 
   H  88    6.4198    11.3174     5.6621    11.6026     5.6622    12.5779 
   H  89    5.8249    10.9909     4.9774    11.9555     6.3539    12.9456 
   H  90    8.5333    13.6874     7.6595    14.0135     7.8209    14.9762 
   H  91    8.0952    13.4186     7.1682    14.3070     8.3353    15.2864 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50    7.4192     0.0000 
   C  51    1.0000     6.5363     0.0000 
   C  52    4.2142     3.6055     3.2309     0.0000 
   C  53    3.0000    10.0503     3.6055     6.5363     0.0000 
   C  54   11.3228     9.0779    10.4415     8.2997    11.8653     0.0000 
   C  55    9.5010    11.8844     9.0779     9.0791     8.2997     6.5363 
   C  56    4.9072     3.0000     4.2142     2.6457     7.8131    10.5824 
   C  57    2.0000     9.2567     3.0000     6.1970     2.6457    13.1365 
   H  58    3.5889     7.8232     3.1512     4.2687     3.4977     8.3931 
   H  59    2.9560     7.2008     2.4059     3.6072     3.4977     8.6308 
   H  60    7.6403     3.1512     6.6411     3.4977     9.5756     5.9395 
   H  61    7.7099     2.4059     6.7210     3.4977     9.8439     6.6734 
   H  62   10.0349     6.3968     9.0651     6.3522    11.2647     2.8292 
   H  63    6.9369     9.2254     6.3968     6.2653     6.3522     6.0072 
   H  64    7.9973     7.2210     7.1446     5.3970     8.5624     3.3533 
   H  65    7.3303    11.7765     7.2210     8.3897     5.3970     9.0378 
   H  66    9.6173     8.2027     8.7621     6.8610    10.0921     1.7732 
   H  67    8.4664    11.9682     8.2027     8.8173     6.8610     7.9368 
   H  68    6.5655     1.4158     5.7798     3.3532     9.3771    10.1205 
   H  69    0.6200     7.4866     1.4158     4.4726     3.3533    11.8475 
   H  70    7.9415     0.6200     7.0800     4.2100    10.6184     9.4706 
   H  71    1.4157     6.0074     0.6200     2.8537     4.2100    10.4542 
   H  72    4.3560     3.1879     3.4137     0.6201     6.8673     8.7447 
   H  73    3.6034     4.0602     2.6274     0.6201     6.0073     8.7534 
   H  74    4.1609     4.0750     3.1610     0.6200     6.2494     7.8784 
   H  75    2.4825     9.7015     3.1879     6.2494     0.6201    12.0133 
   H  76    3.3533    10.5600     4.0602     7.0801     0.6201    12.4717 
   H  77    3.5505    10.4243     4.0750     6.8673     0.6200    11.7483 
   H  78   10.7037     8.5964     9.8216     7.7007    11.2761     0.6200 
   H  79    9.4973    11.4887     9.0147     8.8021     8.4874     5.9163 
   H  80    1.4956     8.6455     2.4825     5.6352     2.9083    12.7732 
   H  81    2.3716     9.3772     3.3533     6.4720     3.2380    13.6369 
   H  82    2.5559     9.8691     3.5505     6.7689     2.5121    13.5186 
   H  83    5.5156     2.4825     4.7987     2.9083     8.4028    10.5204 
   H  84    5.0700     3.3533     4.4726     3.2380     8.0330    11.1975 
   H  85    4.3020     3.5505     3.6415     2.5121     7.2284    10.6802 
   H  86   12.3592    14.0622    11.9022    11.6044    11.1294     6.9444 
   H  87   13.4330    14.9789    12.9724    12.6150    12.1794     7.4519 
   H  88    6.6575    13.2711     7.1356     9.6673     3.6795    12.9198 
   H  89    7.3286    13.5806     7.6961     9.9811     4.4388    12.4866 
   H  90    8.8179    15.7013     9.4168    12.1063     5.8302    15.2045 
   H  91    9.3349    15.9638     9.8482    12.3583     6.3369    14.8382 

              C  55      C  56      C  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56   11.6985     0.0000 
   C  57   10.5824     6.5363     0.0000 
   H  58    5.9395     6.4876     4.9779     0.0000 
   H  59    6.6734     5.7216     4.5429     0.7971     0.0000 
   H  60    9.2498     4.9779     9.6394     6.5363     6.1765     0.0000 
   H  61   10.0012     4.5429     9.6946     6.9691     6.5363     0.7971 
   H  62    8.0851     8.2779    11.9894     7.8153     7.7876     3.3572 
   H  63    2.8292     8.8740     8.2779     3.3572     4.0061     6.8491 
   H  64    5.1238     7.9317     9.7867     5.0704     5.2782     4.2728 
   H  65    3.3533    10.7467     7.9317     4.2728     5.0613     9.8108 
   H  66    5.3612     9.2990    11.3985     6.6218     6.8768     5.0801 
   H  67    1.7732    11.3341     9.2990     5.0801     5.8702     9.6547 
   H  68   12.2447     1.7732     8.2770     7.5932     6.8884     4.2079 
   H  69   10.1205     4.8192     1.7733     4.2079     3.5650     7.9499 
   H  70   12.4716     3.3533     9.7442     8.4392     7.8110     3.5955 
   H  71    9.4706     3.6035     3.3533     3.5955     2.8161     6.3311 
   H  72    9.6989     2.0402     6.2942     4.8118     4.1177     3.6212 
   H  73    9.1185     2.6009     5.5809     3.9869     3.2689     4.1143 
   H  74    8.4594     3.2566     6.1608     3.7496     3.1366     3.4820 
   H  75    8.7447     7.3589     2.0402     3.6212     3.4820     9.4084 
   H  76    8.7534     8.2358     2.6009     4.1143     4.1143    10.1689 
   H  77    7.8784     8.2887     3.2566     3.4820     3.6211     9.7793 
   H  78    6.2494    10.0128    12.5214     7.7966     8.0212     5.4473 
   H  79    0.6200    11.4380    10.6802     5.9114     6.6112     8.7818 
   H  80   10.5204     5.9163     0.6200     4.7701     4.2564     9.0987 
   H  81   11.1975     6.5656     0.6200     5.5540     5.0842     9.9491 
   H  82   10.6802     7.1563     0.6200     5.2512     4.8915    10.1891 
   H  83   11.9854     0.6200     7.1563     6.9403     6.1905     4.7701 
   H  84   12.2577     0.6200     6.5656     6.9394     6.1602     5.5540 
   H  85   11.4380     0.6200     5.9163     6.0645     5.2841     5.2512 
   H  86    2.8720    14.2494    13.4509     8.7833     9.4969    11.1660 
   H  87    3.9438    15.2607    14.5179     9.8564    10.5676    12.0284 
   H  88    7.6043    11.3301     6.0936     5.6609     6.1266    12.1943 
   H  89    6.8425    11.8281     6.9760     5.8084     6.3803    12.2634 
   H  90    9.4566    13.6310     7.8683     8.1570     8.6033    14.6916 
   H  91    8.8557    14.0477     8.5700     8.2601     8.7858    14.7491 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    4.0061     0.0000 
   H  63    7.5430     6.5363     0.0000 
   H  64    5.0613     3.2400     3.2963     0.0000 
   H  65   10.4317     9.7763     3.2400     6.5363     0.0000 
   H  66    5.8702     2.8059     4.3394     1.6200     7.4791     0.0000 
   H  67   10.3476     9.0754     2.8059     5.8957     1.6200     6.5363 
   H  68    3.5650     7.5535     9.4827     7.9163    11.7426     9.0749 
   H  69    7.9632    10.4706     7.5535     8.5376     7.9163    10.1571 
   H  70    2.8161     6.7371     9.8283     7.7519    12.3958     8.6737 
   H  71    6.3478     8.9235     6.7371     7.2094     7.7519     8.8151 
   H  72    3.4820     6.6672     6.8854     5.9361     8.9749     7.3613 
   H  73    4.1143     6.9051     6.2900     5.7426     8.1986     7.2570 
   H  74    3.6211     6.0843     5.6454     4.8772     7.8098     6.3819 
   H  75    9.6301    11.2669     6.6672     8.6817     5.9361    10.2427 
   H  76   10.4219    11.8846     6.9051     9.1752     5.7426    10.6986 
   H  77   10.0912    11.2966     6.0843     8.4869     4.8772     9.9779 
   H  78    6.1997     2.5087     5.5066     2.7431     8.5971     1.1972 
   H  79    9.5443     7.5006     2.6458     4.6002     3.7759     4.7588 
   H  80    9.1301    11.5301     8.1133     9.4336     8.0145    11.0515 
   H  81    9.9597    12.4065     8.8712    10.2934     8.5491    11.9097 
   H  82   10.2654    12.4626     8.4847    10.1653     7.8969    11.7680 
   H  83    4.2564     8.1133     9.1736     8.0145    11.1766     9.3159 
   H  84    5.0842     8.8712     9.4299     8.5491    11.2101     9.9190 
   H  85    4.8915     8.4847     8.6088     7.8969    10.3362     9.3233 
   H  86   11.9555     9.2349     5.5377     6.8942     5.9386     6.4530 
   H  87   12.8226     9.9080     6.5993     7.7727     6.9392     7.1773 
   H  88   12.6253    13.0968     6.9128     9.9754     4.2575    11.2298 
   H  89   12.7504    12.8880     6.5086     9.6997     3.5639    10.8475 
   H  90   15.1173    15.5363     9.2188    12.3764     6.2561    13.5580 
   H  91   15.2219    15.3607     8.9197    12.1552     5.8064    13.2431 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68   12.1238     0.0000 
   H  69    9.0749     6.5362     0.0000 
   H  70   12.5780     1.6200     7.9804     0.0000 
   H  71    8.6737     5.1968     1.6199     6.5363     0.0000 
   H  72    9.4293     2.7822     4.5336     3.7711     2.9484     0.0000 
   H  73    8.7358     3.6200     3.8528     4.6469     2.2345     0.8769 
   H  74    8.2065     3.9390     4.4970     4.6900     2.8919     1.2400 
   H  75    7.3613     8.9652     2.7823    10.2565     3.7711     6.5363 
   H  76    7.2570     9.8392     3.6201    11.1194     4.6469     7.3868 
   H  77    6.3819     9.8109     3.9391    11.0034     4.6900     7.2364 
   H  78    7.5650     9.6008    11.2277     9.0101     9.8350     8.1549 
   H  79    2.2701    11.9062    10.1171    12.0676     9.3746     9.4197 
   H  80    9.3159     7.6577     1.1752     9.1292     2.7823     5.7084 
   H  81    9.9190     8.3286     2.0000     9.8392     3.6200     6.5143 
   H  82    9.3233     8.8964     2.3826    10.3599     3.9391     6.8860 
   H  83   11.6997     1.1751     5.4375     2.7823     4.1937     2.2883 
   H  84   11.8481     2.0000     4.9072     3.6200     3.8529     2.6422 
   H  85   10.9914     2.3825     4.2014     3.9391     3.0252     1.9640 
   H  86    4.3347    14.6020    12.9791    14.6150    12.2677    12.2167 
   H  87    5.3536    15.5643    14.0530    15.5205    13.3335    13.2240 
   H  88    5.8426    12.7805     7.0328    13.8696     7.7552    10.1076 
   H  89    5.0693    13.1931     7.7574    14.1895     8.3139    10.4633 
   H  90    7.6938    15.1468     9.1045    16.2929    10.0291    12.5227 
   H  91    7.1244    15.4965     9.6752    16.5661    10.4672    12.8116 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8768     0.0000 
   H  75    5.6938     6.0130     0.0000 
   H  76    6.5363     6.8161     0.8769     0.0000 
   H  77    6.3659     6.5363     1.2400     0.8768     0.0000 
   H  78    8.1470     7.2711    11.4149    11.8845    11.1701     0.0000 
   H  79    8.8803     8.1849     8.9016     8.9688     8.0997     5.6320 
   H  80    5.0166     5.6297     2.2883     2.9814     3.5282    12.1554 
   H  81    5.8521     6.4889     2.6422     3.1408     3.8413    13.0198 
   H  82    6.1560     6.7072     1.9640     2.3258     3.0874    12.9067 
   H  83    2.9814     3.5282     7.9582     8.8350     8.8685     9.9665 
   H  84    3.1408     3.8413     7.5480     8.4219     8.5354    10.6296 
   H  85    2.3258     3.0874     6.7634     7.6399     7.7151    10.0971 
   H  86   11.7210    10.9932    11.5929    11.5587    10.6819     6.9111 
   H  87   12.7484    12.0071    12.6501    12.5994    11.7228     7.4981 
   H  88    9.2311     9.2477     4.2653     3.5091     3.1070    12.4108 
   H  89    9.5939     9.5148     5.0508     4.3753     3.8294    12.0073 
   H  90   11.6463    11.7080     6.3399     5.4849     5.3440    14.7219 
   H  91   11.9359    11.9201     6.8929     6.0757     5.7939    14.3834 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80   10.5824     0.0000 
   H  81   11.2899     0.8768     0.0000 
   H  82   10.8126     1.2400     0.8768     0.0000 
   H  83   11.6985     6.5363     7.1831     7.7763     0.0000 
   H  84   12.0093     5.9487     6.5363     7.1831     0.8768     0.0000 
   H  85   11.2058     5.2963     5.9487     6.5363     1.2400     0.8768 
   H  86    2.8935    13.3924    14.0668    13.5375    14.4769    14.8322 
   H  87    3.9595    14.4637    15.1344    14.5982    15.4733    15.8483 
   H  88    8.0315     6.4898     6.5961     5.7371    11.8938    11.6081 
   H  89    7.3144     7.3247     7.5083     6.6669    12.3692    12.1496 
   H  90    9.9602     8.3663     8.2637     7.3889    14.2124    13.8629 
   H  91    9.3915     9.0293     9.0085     8.1320    14.6125    14.3194 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86   14.0456     0.0000 
   H  87   15.0706     1.0739     0.0000 
   H  88   10.7726    10.0317    10.9590     0.0000 
   H  89   11.2952     9.1367    10.0317     1.0739     0.0000 
   H  90   13.0531    11.5451    12.3593     2.4978     2.7189     0.0000 
   H  91   13.4877    10.7764    11.5451     2.7189     2.4978     1.0739 

              H  91
              -----------
   H  91    0.0000 



ATOMIC CHARGES
   S   1    0.0000000000
   S   2    0.0000000000
  Na   3    0.0000000000
  Na   4    0.0000000000
   F   5    0.0000000000
   F   6    0.0000000000
   F   7    0.0000000000
   F   8    0.0000000000
   O   9    0.0000000000
   O  10    0.0000000000
   O  11    0.0000000000
   O  12    0.0000000000
   O  13    0.0000000000
   O  14    0.0000000000
   O  15    0.0000000000
   O  16    0.0000000000
   O  17    0.0000000000
   O  18    0.0000000000
   O  19    0.0000000000
   N  20    0.0000000000
   N  21    0.0000000000
   N  22   -1.0000000000
   N  23   -1.0000000000
   N  24    0.0000000000
   N  25    0.0000000000
   C  26    0.0000000000
   C  27    0.0000000000
   C  28    0.0000000000
   C  29    0.0000000000
   C  30    0.0000000000
   C  31    0.0000000000
   C  32    0.0000000000
   C  33    0.0000000000
   C  34    0.0000000000
   C  35    0.0000000000
   C  36    0.0000000000
   C  37    0.0000000000
   C  38    0.0000000000
   C  39    0.0000000000
   C  40    0.0000000000
   C  41    0.0000000000
   C  42    0.0000000000
   C  43    0.0000000000
   C  44    0.0000000000
   C  45    0.0000000000
   C  46    0.0000000000
   C  47    0.0000000000
   C  48    0.0000000000
   C  49    0.0000000000
   C  50    0.0000000000
   C  51    0.0000000000
   C  52    0.0000000000
   C  53    0.0000000000
   C  54    0.0000000000
   C  55    0.0000000000
   C  56    0.0000000000
   C  57    0.0000000000
   H  58    0.0000000000
   H  59    0.0000000000
   H  60    0.0000000000
   H  61    0.0000000000
   H  62    0.0000000000
   H  63    0.0000000000
   H  64    0.0000000000
   H  65    0.0000000000
   H  66    0.0000000000
   H  67    0.0000000000
   H  68    0.0000000000
   H  69    0.0000000000
   H  70    0.0000000000
   H  71    0.0000000000
   H  72    0.0000000000
   H  73    0.0000000000
   H  74    0.0000000000
   H  75    0.0000000000
   H  76    0.0000000000
   H  77    0.0000000000
   H  78    0.0000000000
   H  79    0.0000000000
   H  80    0.0000000000
   H  81    0.0000000000
   H  82    0.0000000000
   H  83    0.0000000000
   H  84    0.0000000000
   H  85    0.0000000000
   H  86    0.0000000000
   H  87    0.0000000000
   H  88    0.0000000000
   H  89    0.0000000000
   H  90    0.0000000000
   H  91    0.0000000000


BOND ANGLES
  15    1   26   O2  Sox   C3    119.999
  15    1   35   O2  Sox  Car    120.001
  26    1   35   C3  Sox  Car    120.001
  16    2   27   O2  Sox   C3    120.001
  16    2   34   O2  Sox  Car    120.001
  27    2   34   C3  Sox  Car    119.998
  37    9   53  Car   O3   C3    119.999
  36   10   52  Car   O3   C3    119.999
  42   11   54  Car   O3   C3    120.001
  43   12   55  Car   O3   C3    120.001
  46   13   56  Car   O3   C3    120.001
  47   14   57  Car   O3   C3    120.001
  86   17   87   HO   O3   HO    120.001
  88   18   89   HO   O3   HO    120.001
  90   19   91   HO   O3   HO    120.001
  28   20   35  Car  Nar  Car    108.092
  29   21   34  Car  Nar  Car    108.092
  30   22   35  Car  Nar  Car    108.101
  31   23   34  Car  Nar  Car    108.101
  33   24   51  Car  Nar  Car    120.001
  32   25   50  Car  Nar  Car    119.998
   1   26   32  Sox   C3  Car    120.001
   1   26   60  Sox   C3   HC     80.004
   1   26   61  Sox   C3   HC    160.002
  32   26   60  Car   C3   HC    159.996
  32   26   61  Car   C3   HC     79.997
  60   26   61   HC   C3   HC     79.999
   2   27   33  Sox   C3  Car    119.998
   2   27   58  Sox   C3   HC     79.998
   2   27   59  Sox   C3   HC    160.007
  33   27   58  Car   C3   HC    160.004
  33   27   59  Car   C3   HC     79.995
  58   27   59   HC   C3   HC     80.009
  20   28   30  Nar  Car  Car    107.855
  20   28   38  Nar  Car  Car    132.144
  30   28   38  Car  Car  Car    120.001
  21   29   31  Nar  Car  Car    107.855
  21   29   39  Nar  Car  Car    132.144
  31   29   39  Car  Car  Car    120.001
  22   30   28  Nar  Car  Car    107.850
  22   30   41  Nar  Car  Car    132.149
  28   30   41  Car  Car  Car    120.001
  23   31   29  Nar  Car  Car    107.850
  23   31   40  Nar  Car  Car    132.149
  29   31   40  Car  Car  Car    120.001
  25   32   26  Nar  Car   C3    119.998
  25   32   36  Nar  Car  Car    120.001
  26   32   36   C3  Car  Car    120.001
  24   33   27  Nar  Car   C3    120.001
  24   33   37  Nar  Car  Car    120.001
  27   33   37   C3  Car  Car    119.998
   2   34   21  Sox  Car  Nar    125.948
   2   34   23  Sox  Car  Nar    125.951
  21   34   23  Nar  Car  Nar    108.101
   1   35   20  Sox  Car  Nar    125.948
   1   35   22  Sox  Car  Nar    125.951
  20   35   22  Nar  Car  Nar    108.101
  10   36   32   O3  Car  Car    119.999
  10   36   46   O3  Car  Car    120.001
  32   36   46  Car  Car  Car    120.001
   9   37   33   O3  Car  Car    120.001
   9   37   47   O3  Car  Car    120.001
  33   37   47  Car  Car  Car    119.998
  28   38   42  Car  Car  Car    119.999
  28   38   62  Car  Car   HC    120.001
  42   38   62  Car  Car   HC    120.001
  29   39   43  Car  Car  Car    119.999
  29   39   63  Car  Car   HC    120.001
  43   39   63  Car  Car   HC    120.001
  31   40   45  Car  Car  Car    119.999
  31   40   65  Car  Car   HC    120.001
  45   40   65  Car  Car   HC    120.001
  30   41   44  Car  Car  Car    119.999
  30   41   64  Car  Car   HC    120.001
  44   41   64  Car  Car   HC    120.001
  11   42   38   O3  Car  Car    120.001
  11   42   44   O3  Car  Car    119.998
  38   42   44  Car  Car  Car    120.001
  12   43   39   O3  Car  Car    120.001
  12   43   45   O3  Car  Car    119.998
  39   43   45  Car  Car  Car    120.001
  41   44   42  Car  Car  Car    120.001
  41   44   66  Car  Car   HC    120.002
  42   44   66  Car  Car   HC    119.997
  40   45   43  Car  Car  Car    120.001
  40   45   67  Car  Car   HC    120.002
  43   45   67  Car  Car   HC    119.997
  13   46   36   O3  Car  Car    120.001
  13   46   48   O3  Car  Car    119.999
  36   46   48  Car  Car  Car    120.001
  14   47   37   O3  Car  Car    120.001
  14   47   49   O3  Car  Car    120.001
  37   47   49  Car  Car  Car    119.998
  46   48   50  Car  Car  Car    120.001
  46   48   68  Car  Car   HC    120.001
  50   48   68  Car  Car   HC    119.998
  47   49   51  Car  Car  Car    120.001
  47   49   69  Car  Car   HC    119.998
  51   49   69  Car  Car   HC    120.001
  25   50   48  Nar  Car  Car    119.998
  25   50   70  Nar  Car   HC    120.002
  48   50   70  Car  Car   HC    120.000
  24   51   49  Nar  Car  Car    120.001
  24   51   71  Nar  Car   HC    120.002
  49   51   71  Car  Car   HC    119.998
  10   52   72   O3   C3   HC     90.004
  10   52   73   O3   C3   HC    179.974
  10   52   74   O3   C3   HC     90.001
  72   52   73   HC   C3   HC     90.000
  72   52   74   HC   C3   HC    179.974
  73   52   74   HC   C3   HC     89.995
   9   53   75   O3   C3   HC     90.004
   9   53   76   O3   C3   HC    179.974
   9   53   77   O3   C3   HC     90.001
  75   53   76   HC   C3   HC     90.000
  75   53   77   HC   C3   HC    179.974
  76   53   77   HC   C3   HC     89.995
   5   54    6    F   C3    F    120.001
   5   54   11    F   C3   O3    119.999
   5   54   78    F   C3   HC    179.974
   6   54   11    F   C3   O3    120.001
   6   54   78    F   C3   HC     59.998
  11   54   78   O3   C3   HC     60.002
   7   55    8    F   C3    F    120.001
   7   55   12    F   C3   O3    119.999
   7   55   79    F   C3   HC     59.999
   8   55   12    F   C3   O3    120.001
   8   55   79    F   C3   HC    179.974
  12   55   79   O3   C3   HC     59.999
  13   56   83   O3   C3   HC     90.000
  13   56   84   O3   C3   HC    179.974
  13   56   85   O3   C3   HC     90.000
  83   56   84   HC   C3   HC     90.000
  83   56   85   HC   C3   HC    179.974
  84   56   85   HC   C3   HC     90.000
  14   57   80   O3   C3   HC     90.000
  14   57   81   O3   C3   HC    179.974
  14   57   82   O3   C3   HC     90.000
  80   57   81   HC   C3   HC     90.000
  80   57   82   HC   C3   HC    179.974
  81   57   82   HC   C3   HC     90.000


TORSION ANGLES
  15    1   26   32      0.026
  15    1   26   60    179.974
  15    1   26   61    179.974
  35    1   26   32    179.974
  35    1   26   60      0.026
  35    1   26   61      0.026
  15    1   35   20    179.974
  15    1   35   22      0.026
  26    1   35   20      0.026
  26    1   35   22    179.974
  16    2   27   33      0.026
  16    2   27   58    179.974
  16    2   27   59    179.974
  34    2   27   33    179.974
  34    2   27   58      0.026
  34    2   27   59      0.026
  16    2   34   21    179.974
  16    2   34   23      0.026
  27    2   34   21      0.026
  27    2   34   23    179.974
  53    9   37   33    179.974
  53    9   37   47      0.026
  37    9   53   75      0.026
  37    9   53   76    179.974
  37    9   53   77    179.974
  52   10   36   32    179.974
  52   10   36   46      0.026
  36   10   52   72      0.026
  36   10   52   73    179.974
  36   10   52   74    179.974
  54   11   42   38    179.974
  54   11   42   44      0.026
  42   11   54    5    179.974
  42   11   54    6      0.026
  42   11   54   78      0.026
  55   12   43   39    179.974
  55   12   43   45      0.026
  43   12   55    7    179.974
  43   12   55    8      0.026
  43   12   55   79    179.974
  56   13   46   36    179.974
  56   13   46   48      0.026
  46   13   56   83      0.026
  46   13   56   84    180.000
  46   13   56   85    179.974
  57   14   47   37    179.974
  57   14   47   49      0.026
  47   14   57   80      0.026
  47   14   57   81    180.000
  47   14   57   82    179.974
  35   20   28   30      0.026
  35   20   28   38    179.974
  28   20   35    1    179.974
  28   20   35   22      0.026
  34   21   29   31      0.026
  34   21   29   39    179.974
  29   21   34    2    179.974
  29   21   34   23      0.026
  35   22   30   28      0.026
  35   22   30   41    179.974
  30   22   35    1    179.974
  30   22   35   20      0.026
  34   23   31   29      0.026
  34   23   31   40    179.974
  31   23   34    2    179.974
  31   23   34   21      0.026
  51   24   33   27    179.974
  51   24   33   37      0.026
  33   24   51   49      0.026
  33   24   51   71    179.974
  50   25   32   26    179.974
  50   25   32   36      0.026
  32   25   50   48      0.026
  32   25   50   70    179.974
   1   26   32   25    179.974
   1   26   32   36      0.026
  60   26   32   25      0.026
  60   26   32   36    179.974
  61   26   32   25      0.026
  61   26   32   36    179.974
   2   27   33   24    179.974
   2   27   33   37      0.026
  58   27   33   24      0.026
  58   27   33   37    179.974
  59   27   33   24      0.026
  59   27   33   37    179.974
  20   28   30   22      0.026
  20   28   30   41    179.974
  38   28   30   22    179.974
  38   28   30   41      0.026
  20   28   38   42    179.974
  20   28   38   62      0.026
  30   28   38   42      0.026
  30   28   38   62    179.974
  21   29   31   23      0.026
  21   29   31   40    179.974
  39   29   31   23    179.974
  39   29   31   40      0.026
  21   29   39   43    179.974
  21   29   39   63      0.026
  31   29   39   43      0.026
  31   29   39   63    179.974
  22   30   41   44    179.974
  22   30   41   64      0.026
  28   30   41   44      0.026
  28   30   41   64    179.974
  23   31   40   45    179.974
  23   31   40   65      0.026
  29   31   40   45      0.026
  29   31   40   65    179.974
  25   32   36   10    179.974
  25   32   36   46      0.026
  26   32   36   10      0.026
  26   32   36   46    179.974
  24   33   37    9    179.974
  24   33   37   47      0.026
  27   33   37    9      0.026
  27   33   37   47    179.974
  10   36   46   13      0.026
  10   36   46   48    179.974
  32   36   46   13    179.974
  32   36   46   48      0.026
   9   37   47   14      0.026
   9   37   47   49    179.974
  33   37   47   14    179.974
  33   37   47   49      0.026
  28   38   42   11    179.974
  28   38   42   44      0.026
  62   38   42   11      0.026
  62   38   42   44    179.974
  29   39   43   12    179.974
  29   39   43   45      0.026
  63   39   43   12      0.026
  63   39   43   45    179.974
  31   40   45   43      0.026
  31   40   45   67    179.974
  65   40   45   43    179.974
  65   40   45   67      0.026
  30   41   44   42      0.026
  30   41   44   66    179.974
  64   41   44   42    179.974
  64   41   44   66      0.026
  11   42   44   41    179.974
  11   42   44   66      0.026
  38   42   44   41      0.026
  38   42   44   66    179.974
  12   43   45   40    179.974
  12   43   45   67      0.026
  39   43   45   40      0.026
  39   43   45   67    179.974
  13   46   48   50    179.974
  13   46   48   68      0.026
  36   46   48   50      0.026
  36   46   48   68    179.974
  14   47   49   51    179.974
  14   47   49   69      0.026
  37   47   49   51      0.026
  37   47   49   69    179.974
  46   48   50   25      0.026
  46   48   50   70    179.974
  68   48   50   25    179.974
  68   48   50   70      0.026
  47   49   51   24      0.026
  47   49   51   71    179.974
  69   49   51   24    179.974
  69   49   51   71      0.026