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(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tr
(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-[(1S)-1-hydroxy-1,5-dimethyl-hex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-tr ID: AN-36690
CAS:78214-33-2
Supplier:AN PharmaTech Co Ltd

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SMILES:O[C@H]1[C@H]2[C@]([C@]3([C@@H]([C@@]4([C@@H](CC3)C([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)CC4)(C)C)C)C1)C)(CC[C@@H]2[C@@](O)(CCC=C(C)C)C)C	119307
FORMULA: C36H62O8
MASS: 622.8727
EXACT MASS: 622.4444689
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    6.4201     0.0000 
   O   3    3.1232     8.5873     0.0000 
   O   4    7.7356     1.7321    10.1497     0.0000 
   O   5    5.1902     2.0000     7.8509     2.6458     0.0000 
   O   6    6.4359     3.4641     9.3734     2.9999     2.0000     0.0000 
   O   7    8.3774     4.0000    11.2333     2.6457     3.4641     2.0000 
   O   8    9.7263     3.6056    12.1386     2.0000     4.5827     4.3589 
   C   9    3.0000     4.7857     3.9271     6.4471     4.5414     6.4145 
   C  10    2.6457     5.7703     2.9418     7.4129     5.3856     7.1772 
   C  11    2.6457     4.1970     4.3932     5.7680     3.6537     5.4655 
   C  12    3.4921     3.1554     5.4338     4.7398     2.7807     4.7042 
   C  13    1.7320     6.1969     2.4010     7.7487     5.4871     7.1136 
   C  14    4.4240     2.7889     5.9829     4.5026     3.1177     5.1173 
   C  15    4.0415     4.5717     4.6368     6.2954     4.7736     6.7425 
   C  16    1.7320     4.7665     4.0511     6.1936     3.8018     5.3817 
   C  17    2.1709     7.1733     1.4141     8.7391     6.4754     8.0674 
   C  18    1.0000     5.7544     3.1054     7.1936     4.7785     6.2713 
   C  19    3.3393     6.5758     2.5787     8.2570     6.3366     8.1575 
   C  20    4.6535     3.6450     5.6352     5.3772     4.1591     6.1587 
   C  21    5.3421     1.8081     7.0641     3.5400     2.7248     4.6652 
   C  22    3.1210     7.3784     1.5956     9.0216     6.9372     8.6553 
   C  23    3.6431     2.7889     6.0768     4.1314     1.8197     3.6563 
   C  24    3.8205     5.2293     4.0269     6.9458     5.3029     7.2392 
   C  25    3.6456     5.8421     3.4348     7.5488     5.7958     7.6925 
   C  26    2.6748     3.7536     5.0546     5.1587     2.8045     4.5029 
   C  27    5.4623     1.0000     7.5880     2.6458     1.7320     3.6055 
   C  28    4.7067     1.8081     7.1447     3.0470     0.9641     2.9621 
   C  29    2.1370     7.9232     1.0000     9.4210     7.0316     8.4709 
   C  30    6.3420     1.5980     7.9795     3.1792     3.1920     4.9557 
   C  31    5.8946     2.4836     7.2149     4.1456     3.7111     5.6206 
   C  32    2.5339     8.7234     1.4142    10.1558     7.6784     8.9683 
   C  33    1.1743     7.3356     2.0000     8.7460     6.2650     7.5929 
   C  34    3.5319     9.6378     1.5060    11.1048     8.6550     9.9674 
   C  35    6.7423     1.0000     9.1571     1.0000     1.7321     2.6457 
   C  36    6.1903     1.7321     8.8205     1.7320     1.0001     1.7320 
   C  37    4.1627    10.4503     2.5036    11.8618     9.3500    10.5367 
   C  38    6.7498     2.6458     9.5348     2.0000     1.7321     0.9999 
   C  39    8.1902     2.6458    10.7763     1.0000     3.0001     2.6457 
   C  40    7.7421     3.0000    10.4917     1.7320     2.6458     1.7320 
   C  41    5.1364    11.3578     3.0881    12.8016    10.3138    11.5300 
   C  42    9.1902     3.4641    11.7598     1.7320     4.0000     3.4641 
   C  43    5.8511    12.1787     4.0665    13.5744    11.0402    12.1496 
   C  44    5.5300    11.5095     2.9671    13.0258    10.6212    11.9659 
   H  45    2.0791     5.0469     3.5455     6.6084     4.4153     6.1405 
   H  46    1.1587     6.7272     2.1197     8.1974     5.7948     7.2584 
   H  47    5.2121     2.7679     6.5134     4.4922     3.6060     5.5850 
   H  48    4.6278     4.7616     4.9596     6.4936     5.1844     7.1745 
   H  49    3.9755     5.1901     4.1659     6.9121     5.3247     7.2732 
   H  50    1.4156     5.0107     4.1673     6.3251     3.8098     5.2074 
   H  51    2.1828     4.2398     4.6701     5.6129     3.1860     4.7713 
   H  52    2.8573     7.9819     0.6600     9.5673     7.3242     8.9126 
   H  53    0.8743     6.3688     2.5400     7.8136     5.3884     6.8382 
   H  54    3.7155     6.2016     3.1965     7.9079     6.1354     8.0193 
   H  55    3.9009     7.0254     2.6589     8.7269     6.8918     8.7390 
   H  56    5.2049     3.2849     6.2533     5.0048     4.0880     6.0770 
   H  57    5.0650     4.0755     5.7240     5.7994     4.7442     6.7437 
   H  58    3.7405     7.6869     1.8719     9.3615     7.3773     9.1456 
   H  59    3.2670     7.9576     1.0524     9.5845     7.4391     9.1043 
   H  60    3.0282     3.4089     5.5528     4.7244     2.2981     3.9763 
   H  61    3.6619     2.9620     6.3243     4.0874     1.5443     3.1819 
   H  62    4.1680     4.7109     4.6334     6.4383     4.9567     6.9294 
   H  63    4.3670     5.5770     4.2087     7.3068     5.8114     7.7712 
   H  64    3.5482     5.7678     3.4252     7.4704     5.6957     7.5873 
   H  65    3.7050     5.2307     3.9471     6.9425     5.2611     7.1885 
   H  66    4.2656     5.9709     3.8408     7.6972     6.1188     8.0578 
   H  67    3.6910     6.4551     2.9640     8.1570     6.3460     8.2123 
   H  68    2.3163     4.2274     4.4658     5.7045     3.4141     5.1204 
   H  69    2.2435     4.2020     4.9079     5.4943     2.9921     4.4868 
   H  70    3.1165     3.3283     5.6501     4.6317     2.2009     3.8861 
   H  71    5.6212     0.8754     7.9358     2.2155     1.2339     3.0071 
   H  72    4.5336     2.2686     7.1663     3.2318     0.6847     2.5353 
   H  73    5.2541     1.5037     7.7555     2.4815     0.5798     2.5041 
   H  74    6.3798     0.9819     8.2343     2.5786     2.7159     4.3893 
   H  75    6.9620     1.7646     8.5567     3.0996     3.5925     5.2245 
   H  76    6.3648     2.2162     7.7661     3.7859     3.7108     5.5335 
   H  77    6.3965     2.1551     7.8212     3.7162     3.6749     5.4864 
   H  78    6.2930     2.9949     7.3755     4.5908     4.3258     6.2200 
   H  79    5.4174     2.9087     6.6114     4.6184     3.8482     5.8181 
   H  80    0.6200     6.2899     3.7126     7.5047     4.9043     6.0045 
   H  81    2.7531     9.0946     1.9935    10.4726     7.9432     9.1240 
   H  82    1.9852     8.2980     1.8413     9.6836     7.1677     8.3995 
   H  83    1.5141     7.8635     2.0939     9.2291     6.7018     7.9243 
   H  84    0.6379     7.0184     2.6200     8.3604     5.8254     7.0649 
   H  85    1.1108     6.8233     2.0938     8.2813     5.8614     7.2992 
   H  86    3.5377     9.1897     0.6200    10.7387     8.4073     9.8827 
   H  87    3.4451     9.3182     0.9208    10.8322     8.4455     9.8532 
   H  88    4.1095    10.1027     1.6769    11.6026     9.1883    10.5433 
   H  89    6.1275     0.8743     8.5426     1.6200     1.2347     2.6008 
   H  90    5.9074     2.2901     8.6633     2.2900     0.8743     1.2346 
   H  91    4.0433    10.4251     2.8890    11.7785     9.2226    10.3100 
   H  92    6.1359     2.6009     8.9463     2.3716     1.2348     0.8742 
   H  93    8.5154     2.6009    10.9948     0.8743     3.3533     3.2379 
   H  94    8.3582     3.3533    11.0888     1.8396     3.2379     2.2900 
   H  95    4.9129     2.6200     7.7142     3.1408     0.6200     1.7733 
   H  96    9.1050     3.7221    11.7758     2.0295     3.9399     3.1021 
   H  97    9.7758     4.0761    12.3708     2.3451     4.5876     3.8917 
   H  98    6.8946     4.0131     9.8800     3.3532     2.6201     0.6201 
   H  99    8.9845     4.3433    11.8192     2.8291     4.0130     2.6200 
   H 100    4.9913    10.9020     2.3479    12.4283    10.0427    11.4223 
   H 101    5.8472    11.6458     3.0586    13.2011    10.8538    12.2695 
   H 102    6.0843    12.1183     3.5867    13.6254    11.2041    12.5166 
   H 103    6.2740    12.5312     4.2224    13.9649    11.4612    12.6297 
   H 104    6.3332    12.7005     4.6777    14.0679    11.5113    12.5585 
   H 105    5.4659    11.8481     4.0016    13.2014    10.6388    11.6827 
   H 106   10.3441     4.2101    12.7558     2.6200     5.1928     4.8708 

              O   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    3.0000     0.0000 
   C   9    7.9967     8.3885     0.0000 
   C  10    8.8495     9.3676     1.0000     0.0000 
   C  11    7.1175     7.7497     1.0000     1.7320     0.0000 
   C  12    6.2250     6.7148     1.7760     2.6902     1.0416     0.0000 
   C  13    8.9102     9.7381     1.7320     1.0000     2.0000     3.0415 
   C  14    6.3805     6.3874     2.0693     3.0692     1.8001     1.0416 
   C  15    8.1394     8.1499     1.0416     1.7603     1.7760     2.0694 
   C  16    7.1928     8.1937     1.7320     2.0000     1.0000     1.7603 
   C  17    9.8874    10.7262     2.5577     1.6118     2.9792     4.0197 
   C  18    8.1304     9.1936     2.0000     1.7320     1.7320     2.6798 
   C  19    9.7993    10.1813     1.8228     0.9941     2.6956     3.5940 
   C  20    7.3859     7.1788     1.8001     2.7087     2.0693     1.8001 
   C  21    5.6523     5.3587     3.1543     4.1543     2.7996     1.8500 
   C  22   10.3933    10.9770     2.5962     1.6095     3.3000     4.2917 
   C  23    5.2814     6.1313     2.7598     3.5694     1.8378     1.0851 
   C  24    8.7130     8.8179     1.0000     1.2855     1.9696     2.5351 
   C  25    9.2356     9.4396     1.2857     1.0000     2.2771     3.0154 
   C  26    6.2378     7.1587     2.0281     2.6801     1.0282     0.9999 
   C  27    4.5825     4.5826     3.8083     4.7850     3.1971     2.1555 
   C  28    4.3542     5.0467     3.6508     4.5412     2.8242     1.8750 
   C  29   10.3635    11.4193     3.4783     2.5819     3.7443     4.7781 
   C  30    5.5942     4.7795     4.0528     5.0459     3.7843     2.8499 
   C  31    6.4658     5.7794     3.3126     4.2748     3.2554     2.4945 
   C  32   10.9107    12.1554     4.4334     3.5685     4.6005     5.6129 
   C  33    9.5191    10.7451     3.2824     2.5841     3.2770     4.2585 
   C  34   11.9066    13.1049     5.1910     4.2573     5.4721     6.5018 
   C  35    3.0000     3.0001     5.4922     6.4460     4.7829     3.7623 
   C  36    2.6457     3.6056     5.3875     6.2774     4.5545     3.6115 
   C  37   12.5063    13.8596     6.1240     5.2147     6.3315     7.3449 
   C  38    1.7320     3.4642     6.2679     7.1175     5.3856     4.4991 
   C  39    1.7320     1.7321     7.1991     8.1367     6.4445     5.4465 
   C  40    1.0000     2.6458     7.1194     8.0037     6.2768     5.3434 
   C  41   13.4957    14.8012     6.9134     5.9652     7.2020     8.2290 
   C  42    2.0000     1.0000     8.1379     9.0888     7.4111     6.4012 
   C  43   14.1341    15.5700     7.8327     6.9030     8.0630     9.0769 
   C  44   13.9002    15.0235     6.8940     5.9080     7.3145     8.3553 
   H  45    7.8672     8.5941     0.9341     1.0828     0.8500     1.8915 
   H  46    9.1358    10.1969     2.5327     1.8475     2.5932     3.6050 
   H  47    6.6362     6.2471     2.6029     3.5718     2.5669     1.8916 
   H  48    8.4774     8.2800     1.6387     2.2140     2.3901     2.5786 
   H  49    8.7196     8.7698     1.1173     1.4462     2.0633     2.5711 
   H  50    7.0931     8.3188     2.3451     2.5068     1.5967     2.2029 
   H  51    6.5731     7.6122     2.0296     2.5068     1.0813     1.4309 
   H  52   10.7373    11.5494     3.2838     2.2921     3.8000     4.8357 
   H  53    8.7187     9.8137     2.3716     1.8397     2.2901     3.2738 
   H  54    9.5808     9.7989     1.6048     1.1149     2.5790     3.3571 
   H  55   10.3490    10.6251     2.3524     1.6056     3.2737     4.1270 
   H  56    7.1572     6.7338     2.4124     3.3287     2.5785     2.0980 
   H  57    7.9090     7.5304     2.0980     2.8769     2.5711     2.4124 
   H  58   10.8408    11.2925     2.9160     1.9925     3.7237     4.6704 
   H  59   10.8820    11.5495     3.1879     2.1908     3.8335     4.8459 
   H  60    5.7166     6.7223     2.5127     3.2037     1.5216     1.1538 
   H  61    4.9247     6.0693     3.2628     3.9954     2.2912     1.6818 
   H  62    8.3118     8.2778     1.1766     1.8051     1.9596     2.2626 
   H  63    9.1838     9.1290     1.6200     1.7498     2.5824     3.0758 
   H  64    9.1388     9.3680     1.1767     0.9033     2.1652     2.9162 
   H  65    8.6806     8.8248     0.9034     1.1766     1.8845     2.4867 
   H  66    9.5200     9.5367     1.7499     1.6200     2.7467     3.3537 
   H  67    9.7983    10.0550     1.8051     1.1766     2.7545     3.5735 
   H  68    6.8554     7.7019     1.5151     2.0727     0.5641     1.1766 
   H  69    6.3257     7.4881     2.3900     2.8554     1.4299     1.6199 
   H  70    5.6208     6.6291     2.5884     3.2922     1.6017     1.1766 
   H  71    3.9758     4.2039     4.2594     5.2105     3.5526     2.5277 
   H  72    4.1310     5.2041     3.9040     4.7227     2.9915     2.1702 
   H  73    3.7590     4.4741     4.2630     5.1602     3.4442     2.4873 
   H  74    4.9745     4.2578     4.3304     5.3304     3.9253     2.9227 
   H  75    5.6474     4.4950     4.6308     5.6172     4.3983     3.4699 
   H  76    6.2139     5.3222     3.8557     4.8248     3.7420     2.9105 
   H  77    6.1511     5.2484     3.9076     4.8796     3.7786     2.9345 
   H  78    6.9945     6.1082     3.5516     4.4620     3.6488     2.9939 
   H  79    6.8225     6.3266     2.7289     3.6753     2.7725     2.1455 
   H  80    7.9729     9.4781     3.3533     3.1407     2.8292     3.5407 
   H  81   11.0914    12.4679     4.9530     4.1265     5.0385     6.0263 
   H  82   10.3540    11.6802     4.2071     3.4285     4.2496     5.2316 
   H  83    9.8791    11.2240     3.9019     3.1945     3.8644     4.8246 
   H  84    9.0117    10.3535     3.3104     2.7731     3.1160     4.0284 
   H  85    9.1870    10.2812     2.6634     1.9799     2.7044     3.7097 
   H  86   11.7652    12.7308     4.5462     3.5618     4.9931     6.0346 
   H  87   11.7620    12.8296     4.7564     3.7928     5.1260     6.1657 
   H  88   12.4715    13.6014     5.5530     4.5868     5.9148     6.9529 
   H  89    3.3532     3.6201     4.9092     5.8521     4.1757     3.1634 
   H  90    2.6008     4.0601     5.4151     6.2513     4.5195     3.6549 
   H  91   12.2947    13.7695     6.2684     5.4072     6.3796     7.3669 
   H  92    2.2900     4.0131     5.7639     6.5845     4.8544     4.0117 
   H  93    2.2900     1.2347     7.3169     8.2790     6.6225     5.5999 
   H  94    0.8743     2.2147     7.6654     8.5657     6.8444     5.8914 
   H  95    3.5192     5.0105     4.6414     5.4128     3.6948     2.9440 
   H  96    1.4331     1.5968     8.2564     9.1830     7.4779     6.4946 
   H  97    2.1943     1.0812     8.7578     9.7079     8.0278     7.0198 
   H  98    1.7732     4.4727     7.0095     7.7534     6.0513     5.3120 
   H  99    0.6200     2.7431     8.5229     9.3939     7.6634     6.7474 
   H 100   13.3445    14.4247     6.2750     5.2882     6.7056     7.7469 
   H 101   14.1807    15.1929     6.9547     5.9572     7.4513     8.4922 
   H 102   14.4611    15.6240     7.5133     6.5278     7.9252     8.9654 
   H 103   14.6059    15.9638     8.0823     7.1271     8.3784     9.4049 
   H 104   14.5504    16.0594     8.4119     7.4925     8.6120     9.6172 
   H 105   13.6741    15.1913     7.6254     6.7287     7.7843     8.7804 
   H 106    3.3533     0.6200     8.9955     9.9772     8.3658     7.3297 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    3.6765     0.0000 
   C  15    2.6798     1.8001     0.0000 
   C  16    1.7320     2.7087     2.6902     0.0000 
   C  17    0.9942     4.5907     3.3657     2.6956     0.0000 
   C  18    1.0000     3.5321     3.0415     1.0000     1.8228     0.0000 
   C  19    1.6117     3.8053     2.1808     2.9792     1.6095     2.5576 
   C  20    3.5321     1.0416     1.0417     3.0692     4.3178     3.6766 
   C  21    4.7386     1.0850     2.7917     3.6102     5.6672     4.5102 
   C  22    1.6095     4.6548     3.1355     3.3000     0.9941     2.5962 
   C  23    3.6913     1.8500     3.1542     2.0647     4.6844     3.0638 
   C  24    2.2770     2.4432     0.6846     2.7224     2.8243     2.8397 
   C  25    1.9696     3.0535     1.3354     2.8398     2.3243     2.7224 
   C  26    2.6826     2.0416     2.7062     1.0349     3.6715     2.0349 
   C  27    5.1969     1.8751     3.6752     3.7858     6.1740     4.7671 
   C  28    4.7501     2.1555     3.8200     3.1492     5.7443     4.1486 
   C  29    1.7764     5.4527     4.3422     3.2418     1.0000     2.2533 
   C  30    5.6915     2.0151     3.5322     4.6101     6.5974     5.5036 
   C  31    5.0198     1.4784     2.6460     4.1859     5.8682     4.9822 
   C  32    2.7061     6.3554     5.3274     3.9690     2.0000     2.9719 
   C  33    1.5956     5.0663     4.2671     2.5704     1.4142     1.5845 
   C  34    3.5072     7.1837     6.0058     4.9112     2.6457     3.9113 
   C  35    6.7564     3.6071     5.4072     5.1936     7.7481     6.1936 
   C  36    6.4423     3.7393     5.4938     4.7793     7.4344     5.7638 
   C  37    4.4122     8.0786     6.9711     5.6889     3.6055     4.6961 
   C  38    7.1938     4.7134     6.4435     5.4860     8.1760     6.4396 
   C  39    8.3839     5.3392     7.1393     6.7540     9.3781     7.7457 
   C  40    8.1329     5.4293     7.2050     6.4407     9.1206     7.4064 
   C  41    5.2389     8.9151     7.6998     6.6130     4.3589     5.6142 
   C  42    9.3640     6.2265     8.0226     7.7461    10.3580     8.7397 
   C  43    6.1329     9.8049     8.6494     7.4144     5.2915     6.4245 
   C  44    5.3156     8.9462     7.5794     6.8450     4.3588     5.8506 
   H  45    1.1500     2.5749     1.9719     0.9341     2.1322     1.0828 
   H  46    0.8501     4.3617     3.5148     2.0085     1.0126     1.0164 
   H  47    4.3075     0.8500     1.9908     3.5194     5.1599     4.2859 
   H  48    3.1852     2.0980     0.6200     3.3101     3.7727     3.6295 
   H  49    2.4379     2.4123     0.6200     2.8477     2.9777     2.9920 
   H  50    2.0295     3.2096     3.3102     0.6200     2.9037     1.0813 
   H  51    2.3451     2.4601     2.8552     0.6200     3.3147     1.5967 
   H  52    1.8386     5.3468     3.9771     3.5450     0.8500     2.6528 
   H  53    0.8743     4.0824     3.3917     1.6200     1.3717     0.6201 
   H  54    1.9965     3.4130     1.6841     3.0650     2.1908     2.8393 
   H  55    2.1922     4.2379     2.5111     3.5979     1.9925     3.1606 
   H  56    4.1438     1.1173     1.6387     3.5692     4.9377     4.2427 
   H  57    3.7896     1.6387     1.1173     3.5630     4.4786     4.0706 
   H  58    2.1908     4.9199     3.2735     3.8334     1.6056     3.1878 
   H  59    1.9925     5.2539     3.7553     3.7237     1.1148     2.9160 
   H  60    3.1963     2.1343     3.0992     1.5058     4.1805     2.4936 
   H  61    3.9855     2.4640     3.7410     2.2740     4.9645     3.2386 
   H  62    2.7545     1.9554     0.1954     2.8582     3.3943     3.1691 
   H  63    2.7466     2.8319     1.0444     3.3393     3.1419     3.4042 
   H  64    1.8844     2.9806     1.2915     2.7245     2.2806     2.6181 
   H  65    2.1652     2.4420     0.7234     2.6182     2.7282     2.7246 
   H  66    2.5824     3.2044     1.4043     3.4042     2.8540     3.3393 
   H  67    1.9594     3.6677     1.9524     3.1690     2.0324     2.8580 
   H  68    2.0783     2.1337     2.3402     0.5843     3.0711     1.5303 
   H  69    2.6319     2.6616     3.1959     0.9046     3.5809     1.8054 
   H  70    3.2928     2.1337     3.1528     1.6030     4.2774     2.5900 
   H  71    5.5349     2.4295     4.2209     4.0132     6.5244     5.0113 
   H  72    4.8036     2.6563     4.2107     3.1177     5.7912     4.0967 
   H  73    5.3640     2.6638     4.3869     3.7426     6.3580     4.7394 
   H  74    5.8932     2.2614     3.9323     4.6610     6.8332     5.6023 
   H  75    6.2897     2.6178     4.0479     5.2300     7.1836     6.1206 
   H  76    5.5522     1.9434     3.2031     4.6422     6.4131     5.4738 
   H  77    5.5999     1.9788     3.2656     4.6719     6.4653     5.5106 
   H  78    5.2826     1.9533     2.7414     4.6162     6.0728     5.3484 
   H  79    4.4506     1.1067     2.0267     3.7399     5.2765     4.4775 
   H  80    2.2900     4.5333     4.3865     1.8397     2.7900     1.4158 
   H  81    3.2213     6.8186     5.8779     4.3284     2.5913     3.3512 
   H  82    2.4836     6.0356     5.1602     3.5316     1.9884     2.5548 
   H  83    2.2123     5.6605     4.8867     3.1020     1.9038     2.1455 
   H  84    1.7812     4.9146     4.3373     2.2787     1.9038     1.3871 
   H  85    0.9832     4.4793     3.6477     2.0882     1.0698     1.0896 
   H  86    2.9948     6.5997     5.2530     4.6059     2.0194     3.6377 
   H  87    3.1306     6.7865     5.5187     4.6574     2.1997     3.6679 
   H  88    3.9229     7.5830     6.3054     5.4162     2.9967     4.4201 
   H  89    6.1424     3.0844     4.8784     4.5736     7.1349     5.5736 
   H  90    6.3196     3.9483     5.6366     4.6134     7.3022     5.5713 
   H  91    4.5376     8.1574     7.1666     5.6614     3.8241     4.6900 
   H  92    6.6205     4.3264     6.0066     4.9031     7.5975     5.8458 
   H  93    8.5945     5.3768     7.1686     7.0130     9.5868     8.0117 
   H  94    8.7219     5.9148     7.7046     7.0389     9.7118     8.0099 
   H  95    5.4002     3.4564     4.9997     3.6764     6.3720     4.6121 
   H  96    9.3935     6.4176     8.2175     7.7350    10.3867     8.7172 
   H  97    9.9765     6.8441     8.6393     8.3507    10.9707     9.3422 
   H  98    7.6539     5.7373     7.3564     5.9233     8.5957     6.7873 
   H  99    9.4836     6.8438     8.6208     7.7731    10.4650     8.7193 
   H 100    4.7058     8.3287     6.9605     6.2566     3.7436     5.2663 
   H 101    5.4555     9.0213     7.5706     7.0566     4.4726     6.0759 
   H 102    5.9275     9.5640     8.1986     7.4386     4.9753     6.4417 
   H 103    6.4142    10.0900     8.8524     7.7811     5.5255     6.7836 
   H 104    6.7023    10.3667     9.2436     7.9340     5.8808     6.9517 
   H 105    5.9035     9.5516     8.4870     7.0832     5.1221     6.1073 
   H 106   10.3556     6.9846     8.7378     8.8136    11.3431     9.8136 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    3.2207     0.0000 
   C  21    4.8738     1.8377     0.0000 
   C  22    0.9940     4.1648     5.7374     0.0000 
   C  23    4.5297     2.7996     2.1555     5.1180     0.0000 
   C  24    1.5139     1.7234     3.4637     2.4884     3.5979     0.0000 
   C  25    0.8764     2.3759     4.0950     1.8663     4.0362     0.6529 
   C  26    3.6684     2.7113     2.7603     4.1642     1.0312     2.9846 
   C  27    5.6126     2.8242     1.0850     6.3944     1.8750     4.3116 
   C  28    5.4655     3.1970     1.8750     6.1240     1.0849     4.3665 
   C  29    2.5788     5.2660     6.5116     1.7764     5.3028     3.8197 
   C  30    5.6893     2.5005     1.0000     6.5961     3.0666     4.2168 
   C  31    4.8260     1.6054     1.0000     5.7669     3.0585     3.3242 
   C  32    3.5651     6.2305     7.3950     2.7061     6.0247     4.8170 
   C  33    2.9411     5.0700     6.0745     2.4010     4.6164     3.8683 
   C  34    4.0464     6.9630     8.2436     3.0842     6.9748     5.4362 
   C  35    7.3101     4.5390     2.7274     8.0521     3.1316     6.0405 
   C  36    7.2037     4.7549     3.0849     7.8536     2.7520     6.0726 
   C  37    5.0431     7.9102     9.1237     4.0841     7.7346     6.4161 
   C  38    8.0679     5.7381     4.0850     8.6645     3.5500     7.0014 
   C  39    9.0208     6.2634     4.4386     9.7357     4.7008     7.7709 
   C  40    8.9348     6.4215     4.6668     9.5721     4.4569     7.7958 
   C  41    5.6654     8.6739     9.9758     4.6765     8.6704     7.1075 
   C  42    9.9556     7.1092     5.2719    10.6928     5.6885     8.6684 
   C  43    6.6450     9.6085    10.8535     5.6601     9.4526     8.0703 
   C  44    5.4498     8.5913    10.0250     4.4600     8.9078     6.9462 
   H  45    2.0748     2.6051     3.6155     2.5269     2.5991     1.8592 
   H  46    2.3142     4.3245     5.3907     1.9706     4.0724     3.1270 
   H  47    4.1586     0.9572     0.9856     5.0839     2.6231     2.6751 
   H  48    2.4069     1.1173     2.9537     3.3982     3.6572     0.9485 
   H  49    1.6329     1.6387     3.4116     2.6163     3.6437     0.1610 
   H  50    3.4520     3.6571     4.0301     3.6388     2.2286     3.3281 
   H  51    3.5000     3.0207     3.2385     3.8923     1.4836     3.0250 
   H  52    1.9332     4.9779     6.4302     0.9710     5.5297     3.3676 
   H  53    2.4695     4.1306     5.0870     2.2741     3.6836     3.0778 
   H  54    0.6200     2.7209     4.4529     1.6056     4.3641     0.9995 
   H  55    0.6199     3.5442     5.2819     1.1149     5.0969     1.8271 
   H  56    3.8181     0.6200     1.5080     4.7729     2.9664     2.3089 
   H  57    3.2039     0.6200     2.2821     4.1870     3.4196     1.7004 
   H  58    1.1148     4.3151     5.9884     0.6199     5.5597     2.5937 
   H  59    1.6056     4.7835     6.3381     0.6200     5.6253     3.1076 
   H  60    4.1897     2.9529     2.6562     4.6906     0.6200     3.4398 
   H  61    4.9772     3.4193     2.6637     5.4888     0.6200     4.1490 
   H  62    2.1339     1.1252     2.9198     3.1064     3.3476     0.6200 
   H  63    1.6302     1.9511     3.7777     2.6186     4.1537     0.6200 
   H  64    0.8939     2.3331     4.0298     1.8718     3.9310     0.6200 
   H  65    1.4580     1.7648     3.4764     2.4212     3.5413     0.1155 
   H  66    1.2791     2.3664     4.1797     2.2452     4.4154     0.8186 
   H  67    0.4234     2.9906     4.7139     1.3686     4.5616     1.2679 
   H  68    3.0650     2.5714     3.0263     3.5442     1.6133     2.5072 
   H  69    3.8466     3.3021     3.3505     4.2043     1.4132     3.3838 
   H  70    4.2766     2.9764     2.6170     4.7842     0.5414     3.5070 
   H  71    6.0793     3.4138     1.7049     6.8166     1.9783     4.8371 
   H  72    5.6831     3.6891     2.4872     6.2631     1.1538     4.7052 
   H  73    6.0806     3.6971     2.1701     6.7441     1.6817     4.9540 
   H  74    6.0437     2.9321     1.1767     6.9137     2.9119     4.6122 
   H  75    6.2221     3.0066     1.6200     7.1470     3.6549     4.7300 
   H  76    5.3833     2.1627     1.1766     6.3236     3.3314     3.8807 
   H  77    5.4452     2.2246     1.1766     6.3832     3.3320     3.9443 
   H  78    4.8999     1.7567     1.6201     5.8715     3.6439     3.3865 
   H  79    4.2072     0.9874     1.1767     5.1517     2.8941     2.7043 
   H  80    3.9013     4.8914     5.3715     3.7333     3.5027     4.2433 
   H  81    4.1737     6.7531     7.8378     3.3255     6.3539     5.3905 
   H  82    3.5979     6.0046     7.0478     2.8520     5.5611     4.7087 
   H  83    3.4888     5.6872     6.6544     2.8484     5.1133     4.4799 
   H  84    3.3007     5.0452     5.8732     2.8961     4.2538     4.0250 
   H  85    2.4285     4.4536     5.5035     2.0459     4.1528     3.2601 
   H  86    3.1719     6.2542     7.6799     2.1799     6.6488     4.6371 
   H  87    3.4954     6.5001     7.8592     2.5160     6.7176     4.9249 
   H  88    4.2512     7.2926     8.6549     3.2613     7.4802     5.7026 
   H  89    6.7307     4.0564     2.2992     7.4550     2.5117     5.4959 
   H  90    7.2070     4.9856     3.4365     7.7926     2.6820     6.1742 
   H  91    5.3425     8.0671     9.1790     4.4193     7.6721     6.6479 
   H  92    7.5469     5.3645     3.8124     8.1127     3.0174     6.5373 
   H  93    9.1289     6.2443     4.4066     9.8867     4.9484     7.8199 
   H  94    9.4854     6.8842     5.0931    10.1436     5.0369     8.3106 
   H  95    6.3890     4.4906     3.2151     6.9131     1.8844     5.4759 
   H  96   10.0791     7.3446     5.5189    10.7757     5.7023     8.8457 
   H  97   10.5756     7.7205     5.8828    11.3114     6.2966     9.2865 
   H  98    8.7380     6.7788     5.2758     9.2111     4.2558     7.8460 
   H  99   10.3339     7.8312     6.0605    10.9502     5.8326     9.2103 
   H 100    4.8356     7.9715     9.4083     3.8444     8.3164     6.3291 
   H 101    5.4056     8.5985    10.1054     4.4352     9.1072     6.9175 
   H 102    6.0653     9.2112    10.6422     5.0768     9.5028     7.5639 
   H 103    6.7874     9.8352    11.1518     5.7940     9.8349     8.2492 
   H 104    7.2552    10.1942    11.4079     6.2725     9.9572     8.6714 
   H 105    6.5584     9.4172    10.5833     5.5921     9.0966     7.9359 
   H 106   10.7834     7.7571     5.9462    11.5863     6.7513     9.4089 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    3.3034     0.0000 
   C  27    4.9061     2.7879     0.0000 
   C  28    4.8815     2.1148     1.0849     0.0000 
   C  29    3.3233     4.2716     6.9249     6.3848     0.0000 
   C  30    4.8663     3.7500     1.4784     2.5330     7.4678     0.0000 
   C  31    3.9770     3.4842     2.0151     2.8750     6.7860     1.0000 
   C  32    4.3227     5.0015     7.7325     7.1088     1.0000     8.3673 
   C  33    3.5057     3.5978     6.3506     5.6994     1.0000     7.0613 
   C  34    4.8779     5.9461     8.6417     8.0597     1.7320     9.1985 
   C  35    6.6274     4.1587     1.7320     2.0474     8.4222     2.5959 
   C  36    6.6071     3.7661     2.0000     1.7384     8.0167     3.2491 
   C  37    5.8682     6.7175     9.4613     8.8164     2.6457    10.0924 
   C  38    7.5130     4.5153     3.0000     2.6352     8.6846     4.2122 
   C  39    8.3532     5.7287     3.4641     3.6341     9.9956     4.1584 
   C  40    8.3370     5.4503     3.6055     3.4693     9.6563     4.5945 
   C  41    6.5226     7.6464    10.3636     9.7546     3.4642    10.9298 
   C  42    9.2648     6.7182     4.3589     4.6150    10.9879     4.8642 
   C  43    7.4957     8.4400    11.1911    10.5319     4.3589    11.8196 
   C  44    6.3252     7.8765    10.5097     9.9902     3.6055    10.9461 
   H  45    1.9112     1.6398     4.0470     3.6329     2.9026     4.5852 
   H  46    2.7963     3.0414     5.7328     5.1561     1.2368     6.3684 
   H  47    3.3260     2.8915     2.0587     2.6856     6.0742     1.5435 
   H  48    1.5319     3.2936     3.9342     4.2212     4.7673     3.5520 
   H  49    0.7593     3.0679     4.2863     4.3813     3.9743     4.1385 
   H  50    3.4042     1.2897     4.0632     3.2916     3.2709     5.0261 
   H  51    3.2503     0.4945     3.2796     2.5661     3.8489     4.2325 
   H  52    2.7804     4.5199     6.9845     6.5850     0.9748     7.3361 
   H  53    2.8303     2.6549     5.3791     4.7685     1.6472     6.0743 
   H  54    0.3595     3.5983     5.2649     5.2273     3.1769     5.2163 
   H  55    1.1870     4.2641     6.0820     6.0020     2.8781     6.0423 
   H  56    2.9607     3.0774     2.5774     3.1507     5.8839     1.9820 
   H  57    2.3284     3.2969     3.3277     3.7865     5.4585     2.7678 
   H  58    1.9411     4.6429     6.7192     6.5311     2.2907     6.7963 
   H  59    2.4812     4.6442     6.9684     6.6533     1.5282     7.2070 
   H  60    3.7962     0.5272     2.4872     1.6817     4.7447     3.6096 
   H  61    4.5482     1.3253     2.1701     1.1538     5.4907     3.5076 
   H  62    1.2680     2.8991     3.8286     4.0009     4.3804     3.6257 
   H  63    0.8186     3.5896     4.7041     4.8609     4.1401     4.4302 
   H  64    0.1156     3.1907     4.8262     4.7850     3.2806     4.8153 
   H  65    0.6200     2.9046     4.3037     4.3302     3.7216     4.2486 
   H  66    0.6200     3.7721     5.0795     5.1789     3.8423     4.8560 
   H  67    0.6199     3.7625     5.5124     5.4475     3.0012     5.4845 
   H  68    2.7554     0.6200     3.2376     2.6799     3.7179     4.0261 
   H  69    3.6117     0.6200     3.2734     2.4637     4.0508     4.3301 
   H  70    3.8731     0.6200     2.4149     1.5912     4.8414     3.5615 
   H  71    5.4109     2.9829     0.6199     0.9440     7.2209     1.9817 
   H  72    5.1721     2.1210     1.6817     0.6200     6.3499     3.1463 
   H  73    5.4829     2.7120     1.1538     0.6200     6.9833     2.6127 
   H  74    5.2517     3.7249     1.1067     2.1900     7.6605     0.6200 
   H  75    5.3825     4.3659     1.9533     3.0361     8.0660     0.6200 
   H  76    4.5334     3.8754     1.9788     2.9673     7.3227     0.6200 
   H  77    4.5971     3.8937     1.9434     2.9441     7.3716     0.5572 
   H  78    4.0289     3.9934     2.6178     3.4950     7.0226     1.4157 
   H  79    3.3571     3.1445     2.2613     2.9381     6.2072     1.5679 
   H  80    4.1358     2.6238     5.3672     4.5231     2.7170     6.3672 
   H  81    4.9151     5.3468     8.1134     7.4314     1.5968     8.8211 
   H  82    4.2768     4.5514     7.3164     6.6403     1.0813     8.0336 
   H  83    4.0979     4.1116     6.8872     6.1891     1.1766     7.6458 
   H  84    3.7507     3.2652     6.0505     5.3248     1.6200     6.8707 
   H  85    2.9251     3.1230     5.8306     5.2374     1.1766     6.4835 
   H  86    4.0364     5.6218     8.1900     7.7226     1.4158     8.5982 
   H  87    4.3447     5.6866     8.3186     7.7989     1.4156     8.7958 
   H  88    5.1111     6.4491     9.1037     8.5636     2.1829     9.5927 
   H  89    6.0687     3.5387     1.2347     1.4279     7.8030     2.3781 
   H  90    6.6701     3.6411     2.3715     1.8168     7.8191     3.7320 
   H  91    6.1344     6.6733     9.4472     8.7445     2.8292    10.1616 
   H  92    7.0251     3.9517     2.7431     2.1890     8.0857     4.0815 
   H  93    8.4230     5.9793     3.5192     3.8648    10.2494     3.9913 
   H  94    8.8661     6.0404     4.0600     4.0246    10.2615     4.9196 
   H  95    5.9202     2.7496     2.2900     1.3522     6.8509     3.7656 
   H  96    9.4232     6.7213     4.5429     4.6556    10.9705     5.2087 
   H  97    9.8840     7.3251     4.9779     5.2266    11.5923     5.4483 
   H  98    8.2904     5.0743     4.2100     3.5820     8.9609     5.5352 
   H  99    9.7477     6.8052     5.0104     4.8724    10.9579     5.9167 
   H 100    5.7103     7.2855     9.9020     9.3972     3.0148    10.3274 
   H 101    6.2804     8.0785    10.6466    10.1831     3.8242    11.0020 
   H 102    6.9411     8.4718    11.1187    10.5864     4.2048    11.5650 
   H 103    7.6528     8.8132    11.5377    10.9182     4.6403    12.1044 
   H 104    8.1023     8.9529    11.7177    11.0319     4.9340    12.3797 
   H 105    7.3875     8.0971    10.8688    10.1687     4.1517    11.5610 
   H 106   10.0343     7.7787     5.1927     5.6666    12.0389     5.3306 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    7.7242     0.0000 
   C  33    6.4840     1.4142     0.0000 
   C  34    8.5034     1.0000     2.3942     0.0000 
   C  35    3.4753     9.1561     7.7467    10.1048     0.0000 
   C  36    3.9850     8.6755     7.2617     9.6498     1.0000     0.0000 
   C  37    9.4298     1.7320     3.1197     1.0000    10.8632    10.3497 
   C  38    4.9790     9.2737     7.8697    10.2634     1.7321     1.0000 
   C  39    5.1084    10.6713     9.2571    11.6421     1.7321     2.0000 
   C  40    5.4678    10.2619     8.8551    11.2493     2.0000     1.7320 
   C  41   10.2258     2.6458     4.0577     1.7321    11.8019    11.3125 
   C  42    5.8483    11.6697    10.2555    12.6391     2.6458     3.0000 
   C  43   11.1436     3.4641     4.8440     2.6458    12.5771    12.0403 
   C  44   10.1781     3.0000     4.3813     2.0000    12.0273    11.6115 
   H  45    3.9781     3.7821     2.5059     4.6334     5.6193     5.3469 
   H  46    5.7597     2.0085     0.7524     2.9132     7.1977     6.7801 
   H  47    0.7123     7.0120     5.7763     7.7928     3.7089     4.0530 
   H  48    2.5903     5.7639     4.7808     6.3815     5.6543     5.8373 
   H  49    3.2300     4.9723     4.0292     5.5833     6.0176     6.0761 
   H  50    4.6851     3.8687     2.4559     4.8486     5.3300     4.8076 
   H  51    3.9249     4.5433     3.1333     5.4998     4.6134     4.1679 
   H  52    6.5611     1.7826     1.8613     2.1166     8.5794     8.2809 
   H  53    5.5094     2.3549     0.9875     3.2913     6.8136     6.3767 
   H  54    4.3172     4.1697     3.4594     4.6664     6.9852     6.9560 
   H  55    5.1342     3.8206     3.3907     4.1637     7.7970     7.7372 
   H  56    1.0254     6.8454     5.6687     7.5827     4.2308     4.5673 
   H  57    1.7852     6.4446     5.3689     7.1139     5.0095     5.2957 
   H  58    5.9178     3.1491     2.9984     3.3727     8.4082     8.2684 
   H  59    6.3847     2.3297     2.3586     2.5582     8.6079     8.3729 
   H  60    3.4870     5.4358     4.0237     6.3959     3.7263     3.2735 
   H  61    3.6096     6.1361     4.7222     7.1110     3.1053     2.5395 
   H  62    2.7143     5.3716     4.3481     6.0247     5.5602     5.6661 
   H  63    3.4788     5.1390     4.3089     5.6722     6.4353     6.5382 
   H  64    3.9373     4.2805     3.4338     4.8557     6.5445     6.5129 
   H  65    3.3694     4.7178     3.7577     5.3472     6.0298     6.0430 
   H  66    3.9111     4.8354     4.0956     5.3211     6.8115     6.8768 
   H  67    4.5878     3.9855     3.3509     4.4457     7.2286     7.1802 
   H  68    3.6120     4.4960     3.1147     5.4171     4.7066     4.3641 
   H  69    4.1004     4.6899     3.2757     5.6632     4.4996     3.9868 
   H  70    3.4644     5.5302     4.1177     6.4913     3.6341     3.1765 
   H  71    2.6211     7.9822     6.5807     8.9175     1.2355     1.3801 
   H  72    3.4862     7.0076     5.5934     7.9805     2.2641     1.6695 
   H  73    3.1464     7.6882     6.2757     8.6470     1.4927     1.1251 
   H  74    1.5680     8.5251     7.1808     9.3917     1.9772     2.6675 
   H  75    1.4158     8.9732     7.6748     9.7951     2.7034     3.4935 
   H  76    0.5573     8.2533     6.9950     9.0439     3.2150     3.8426 
   H  77    0.6201     8.2995     7.0362     9.0940     3.1531     3.7911 
   H  78    0.6200     7.9848     6.7997     8.7184     3.9947     4.5639 
   H  79    0.6199     7.1567     5.9453     7.9173     3.8707     4.2610 
   H  80    6.0115     2.9968     1.7266     3.9946     6.5241     5.8999 
   H  81    8.2159     0.6200     1.7680     1.0813     9.4757     8.9432 
   H  82    7.4444     0.6200     0.9737     1.5967     8.6858     8.1673 
   H  83    7.0886     1.0698     0.6201     2.0631     8.2326     7.7016 
   H  84    6.3689     1.9038     0.6200     2.9035     7.3652     6.8254 
   H  85    5.8826     1.9038     0.6200     2.8243     7.2814     6.8497 
   H  86    7.8349     1.3894     2.3716     1.0604     9.7439     9.3840 
   H  87    8.0638     1.0812     2.2716     0.6199     9.8340     9.4317 
   H  88    8.8593     1.5967     2.9527     0.6200    10.6034    10.1791 
   H  89    3.1489     8.5363     7.1273     9.4848     0.6200     0.8743 
   H  90    4.3865     8.4235     7.0159     9.4101     1.6200     0.6200 
   H  91    9.5472     1.8397     3.1085     1.4158    10.7843    10.2220 
   H  92    4.7569     8.6623     7.2608     9.6537     1.8397     0.8743 
   H  93    4.9742    10.9633     9.5505    11.9212     1.8397     2.3716 
   H  94    5.8368    10.8756     9.4676    11.8617     2.3716     2.2900 
   H  95    4.2135     7.4343     6.0300     8.4237     2.2901     1.4158 
   H  96    6.1715    11.6112    10.1995    12.5918     2.8114     2.9560 
   H  97    6.4382    12.2642    10.8502    13.2368     3.2657     3.5889 
   H  98    6.2242     9.4187     8.0611    10.4187     3.1408     2.2901 
   H  99    6.8263    11.5168    10.1221    12.5116     3.3533     3.1407 
   H 100    9.5581     2.4824     3.8295     1.4955    11.4306    11.0300 
   H 101   10.1979     3.3533     4.6792     2.3716    12.2063    11.8357 
   H 102   10.7981     3.5505     4.9494     2.5558    12.6262    12.1968 
   H 103   11.3937     3.8121     5.2188     2.9083    12.9656    12.4608 
   H 104   11.7194     4.0130     5.3674     3.2380    13.0731    12.5104 
   H 105   10.9230     3.1995     4.5234     2.5121    12.2078    11.6376 
   H 106    6.3287    12.7752    11.3648    13.7248     3.6200     4.2100 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38   10.9049     0.0000 
   C  39   12.3492     1.7321     0.0000 
   C  40   11.8999     1.0000     1.0000     0.0000 
   C  41    1.0000    11.8850    13.3103    12.8783     0.0000 
   C  42   13.3490     2.6458     1.0000     1.7321    14.3094     0.0000 
   C  43    1.7320    12.5630    14.0402    13.5613     1.0000    15.0401 
   C  44    1.7320    12.2480    13.5963    13.2298     1.0000    14.5902 
   H  45    5.5088     6.1396     7.2647     7.0560     6.3649     8.2383 
   H  46    3.7405     7.4513     8.7607     8.4209     4.6308     9.7539 
   H  47    8.7178     5.0519     5.4106     5.6520     9.5163     6.2207 
   H  48    7.3633     6.8098     7.3801     7.5211     8.0450     8.2256 
   H  49    6.5652     7.0138     7.7493     7.7948     7.2493     8.6381 
   H  50    5.5477     5.4235     6.8050     6.4040     6.5053     7.8042 
   H  51    6.2510     4.8661     6.1491     5.8222     7.1890     7.1437 
   H  52    3.1157     9.0259    10.2190     9.9697     3.7430    11.1962 
   H  53    4.0822     7.0374     8.3616     8.0095     4.9952     9.3565 
   H  54    5.6629     7.8561     8.7103     8.6867     6.2816     9.6234 
   H  55    5.1624     8.6198     9.5182     9.4692     5.6913    10.4384 
   H  56    8.5286     5.5650     5.9293     6.1739     9.2939     6.7309 
   H  57    8.0837     6.2873     6.7170     6.9330     8.7989     7.5269 
   H  58    4.3640     9.1090    10.1117     9.9957     4.8481    11.0538 
   H  59    3.5548     9.1586    10.2779    10.0819     4.0932    11.2428 
   H  60    7.1375     3.9976     5.2521     4.9411     8.0811     6.2465 
   H  61    7.8147     3.2123     4.5362     4.1692     8.7741     5.5354 
   H  62    6.9974     6.6203     7.2921     7.3731     7.7076     8.1676 
   H  63    6.6666     7.4872     8.1669     8.2482     7.2945     9.0373 
   H  64    5.8429     7.4149     8.2686     8.2435     6.5111     9.1839 
   H  65    6.3246     6.9654     7.7586     7.7688     7.0240     8.6623 
   H  66    6.3191     7.8125     8.5435     8.5956     6.9185     9.4256 
   H  67    5.4444     8.0710     8.9511     8.9119     6.0434     9.8693 
   H  68    6.2238     5.1310     6.3106     6.0593     7.1321     7.2946 
   H  69    6.3764     4.6351     5.9814     5.6058     7.3305     6.9799 
   H  70    7.2305     3.9011     5.1557     4.8440     8.1752     6.1504 
   H  71    9.7003     2.3801     2.9443     3.0078    10.6255     3.8795 
   H  72    8.6875     2.4014     3.6639     3.3294     9.6465     4.6629 
   H  73    9.3869     2.0575     3.0208     2.8571    10.3333     4.0069 
   H  74   10.2566     3.6140     3.5489     3.9750    11.1233     4.2818 
   H  75   10.6959     4.4046     4.0991     4.6581    11.5252     4.7012 
   H  76    9.9643     4.8158     4.7706     5.2141    10.7686     5.4547 
   H  77   10.0121     4.7614     4.7019     5.1515    10.8196     5.3829 
   H  78    9.6669     5.5514     5.5735     5.9945    10.4261     6.2594 
   H  79    8.8528     5.2610     5.5544     5.8331     9.6354     6.3402 
   H  80    4.5338     6.3883     7.8944     7.3869     5.5256     8.8926 
   H  81    1.4156     9.4898    10.9431    10.4853     2.4060    11.9431 
   H  82    2.1828     8.7345    10.1666     9.7272     3.1512    11.1663 
   H  83    2.6489     8.2617     9.7014     9.2550     3.6234    10.7013 
   H  84    3.5257     7.3874     8.8252     8.3799     4.4985     9.8252 
   H  85    3.6355     7.5086     8.8341     8.4818     4.5353     9.8286 
   H  86    2.0126    10.0773    11.3496    11.0421     2.4990    12.3365 
   H  87    1.5967    10.0914    11.4113    11.0664     2.1829    12.4035 
   H  88    1.0812    10.8158    12.1651    11.7970     1.4156    13.1597 
   H  89   10.2442     1.8397     2.2901     2.3716    11.1821     3.2380 
   H  90   10.0681     0.8743     2.3716     1.8396    11.0436     3.3533 
   H  91    0.6200    10.7289    12.2211    11.7278     1.4158    13.2207 
   H  92   10.2884     0.6200     2.2901     1.6199    11.2699     3.2380 
   H  93   12.6594     2.2901     0.6200     1.6200    13.6082     0.8742 
   H  94   12.5172     1.6199     0.8743     0.6200    13.4946     1.2347 
   H  95    9.0716     1.8397     3.3533     2.8292    10.0491     4.3434 
   H  96   13.2674     2.4059     1.0812     1.4156    14.2393     0.6201 
   H  97   13.9371     3.1512     1.5967     2.1829    14.9012     0.6200 
   H  98   10.9528     1.4157     2.8292     1.8396    11.9500     3.5192 
   H  99   13.1187     2.2900     1.8396     1.4157    14.1070     1.7733 
   H 100    1.5199    11.6819    13.0104    12.6598     1.1766    14.0026 
   H 101    2.2900    12.5080    13.8071    13.4806     1.6200    14.7957 
   H 102    2.1114    12.8191    14.1852    13.8042     1.1766    15.1805 
   H 103    2.1114    13.0133    14.4601    14.0091     1.1765    15.4598 
   H 104    2.2900    13.0043    14.5089    14.0039     1.6199    15.5083 
   H 105    1.5201    12.1278    13.6356    13.1275     1.1766    14.6348 
   H 106   14.4790     4.0131     2.2901     3.1408    15.4210     1.4158 

              C  43      C  44      H  45      H  46      H  47      H  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    1.7321     0.0000 
   H  45    7.2381     6.4649     0.0000 
   H  46    5.4725     4.8366     1.7879     0.0000 
   H  47   10.4322     9.4786     3.2706     5.0497     0.0000 
   H  48    9.0120     7.8566     2.5728     4.0323     2.0338     0.0000 
   H  49    8.2146     7.0761     1.9991     3.2880     2.5951     0.7983 
   H  50    7.2516     6.8258     1.4964     2.0510     4.0425     3.9300 
   H  51    7.9692     7.4472     1.4255     2.6126     3.3048     3.4659 
   H  52    4.7157     3.6172     2.9601     1.7445     5.8615     4.3022 
   H  53    5.8124     5.2352     1.5372     0.4205     4.8045     3.9435 
   H  54    7.2630     6.0459     2.1310     2.7835     3.6742     1.8233 
   H  55    6.6861     5.3680     2.6884     2.8266     4.4994     2.5980 
   H  56   10.2282     9.2072     3.1848     4.9268     0.5225     1.5715 
   H  57    9.7549     8.6462     2.9878     4.6167     1.3077     0.8294 
   H  58    5.8458     4.5048     3.0059     2.5904     5.2607     3.4278 
   H  59    5.0839     3.8442     3.0265     2.1162     5.6994     4.0124 
   H  60    8.8509     8.3442     2.1670     3.5089     2.9671     3.6599 
   H  61    9.5124     9.0772     2.9651     4.2542     3.2174     4.2603 
   H  62    8.6645     7.5619     2.1107     3.5973     2.0823     0.4621 
   H  63    8.2751     7.0501     2.4624     3.5873     2.8977     0.8926 
   H  64    7.4803     6.3315     1.7965     2.7176     3.2780     1.5344 
   H  65    7.9839     6.8748     1.7485     3.0153     2.7101     1.0461 
   H  66    7.9046     6.6467     2.4889     3.3994     3.3189     1.3292 
   H  67    7.0284     5.7901     2.2399     2.7048     3.9430     2.0898 
   H  68    7.9535     7.3216     1.0204     2.5038     2.9553     2.9538 
   H  69    8.0821     7.6305     1.7726     2.8163     3.5115     3.8021 
   H  70    8.9430     8.4405     2.2596     3.6055     2.9593     3.7068 
   H  71   11.4226    10.8227     4.3931     6.0050     2.6759     4.5148 
   H  72   10.3845     9.9424     3.7383     5.1131     3.2586     4.6610 
   H  73   11.0958    10.5875     4.2511     5.7511     3.0812     4.7561 
   H  74   11.9882    11.1920     4.7584     6.5168     1.9905     4.0243 
   H  75   12.4212    11.5238     5.1922     6.9777     2.0644     4.0044 
   H  76   11.6815    10.7305     4.4917     6.2780     1.2537     3.1317 
   H  77   11.7305    10.7862     4.5343     6.3213     1.3078     3.2007 
   H  78   11.3641    10.3207     4.3055     6.0606     1.1065     2.5427 
   H  79   10.5607     9.5716     3.4440     5.2115     0.2711     1.9861 
   H  80    6.1749     5.9925     2.4195     1.7775     5.3549     4.9918 
   H  81    3.1021     2.9561     4.2461     2.4585     7.5050     6.3340 
   H  82    3.8917     3.5888     3.4681     1.6860     6.7349     5.6425 
   H  83    4.3461     4.0596     3.1128     1.3724     6.3828     5.3970 
   H  84    5.2188     4.9032     2.4401     0.9865     5.6730     4.8930 
   H  85    5.3674     4.7624     1.9076     0.1334     5.1732     4.1658 
   H  86    3.4887     2.3479     4.1437     2.6295     7.1335     5.5652 
   H  87    3.1512     2.1942     4.2775     2.6516     7.3570     5.8636 
   H  88    2.4059     1.4331     5.0674     3.4078     8.1530     6.6365 
   H  89   11.9590    11.4083     5.0083     6.5780     3.2830     5.1628 
   H  90   11.7379    11.3902     5.2669     6.5845     4.3689     6.0317 
   H  91    1.8397     2.2901     5.5835     3.7958     8.8355     7.5960 
   H  92   11.9443    11.6408     5.5858     6.8546     4.7480     6.4075 
   H  93   14.3640    13.8549     7.4588     9.0207     5.3500     7.3598 
   H  94   14.1803    13.8399     7.6347     9.0253     6.0771     7.9933 
   H  95   10.7385    10.4086     4.3893     5.6200     4.0353     5.4595 
   H  96   14.9407    14.5610     8.2872     9.7337     6.4890     8.4613 
   H  97   15.6228    15.1928     8.8532    10.3573     6.8260     8.8362 
   H  98   12.5385    12.4187     6.7064     7.7609     6.2013     7.7926 
   H  99   14.7501    14.5034     8.4270     9.7277     7.0460     8.9337 
   H 100    2.1115     0.6200     5.8557     4.2503     8.8587     7.2421 
   H 101    2.2901     0.6200     6.6028     5.0602     9.5083     7.8023 
   H 102    1.5201     0.6200     7.0760     5.4304    10.0986     8.4720 
   H 103    0.6200     1.5201     7.5414     5.8050    10.6851     9.1808 
   H 104    0.6200     2.2901     7.7948     6.0188    11.0074     9.6149 
   H 105    0.6200     2.1115     6.9769     5.1931    10.2107     8.8832 
   H 106   16.1888    15.6428     9.2109    10.8167     6.8186     8.8524 

              H  49      H  50      H  51      H  52      H  53      H  54
              ------------------------------------------------------------------
   H  49    0.0000 
   H  50    3.4573     0.0000 
   H  51    3.1293     0.7970     0.0000 
   H  52    3.5075     3.7330     4.1643     0.0000 
   H  53    3.2372     1.6310     2.2128     2.1477     0.0000 
   H  54    1.0879     3.6040     3.5128     2.5530     2.8705     0.0000 
   H  55    1.9061     4.0711     4.1120     2.0727     3.0267     0.8294 
   H  56    2.2090     4.1327     3.4433     5.5955     4.7188     3.2969 
   H  57    1.5714     4.1677     3.5759     5.0642     4.4696     2.6384 
   H  58    2.6951     4.2101     4.4078     1.3667     2.8906     1.6106 
   H  59    3.2340     3.9911     4.3334     0.5605     2.4864     2.2067 
   H  60    3.5110     1.6127     0.8972     5.0301     3.1100     4.1006 
   H  61    4.2055     2.2688     1.6543     5.8145     3.8458     4.8632 
   H  62    0.5158     3.4780     3.0402     3.9734     3.4941     1.6032 
   H  63    0.5219     3.9418     3.6434     3.5625     3.5866     1.0130 
   H  64    0.7447     3.2901     3.1350     2.7681     2.7398     0.4434 
   H  65    0.2742     3.2217     2.9322     3.2873     2.9631     0.9767 
   H  66    0.8009     3.9852     3.7712     3.2049     3.4473     0.6657 
   H  67    1.3588     3.6833     3.6468     2.3292     2.8303     0.2710 
   H  68    2.6096     1.0964     0.5206     3.9168     2.1417     3.0317 
   H  69    3.4861     0.8308     0.3620     4.4273     2.4037     3.8720 
   H  70    3.5753     1.7009     0.9934     5.1270     3.2061     4.1802 
   H  71    4.8229     4.2062     3.4559     7.3518     5.6305     5.7673 
   H  72    4.7380     3.1413     2.5026     6.6402     4.7082     5.5055 
   H  73    4.9616     3.8448     3.1473     7.2003     5.3580     5.8313 
   H  74    4.5495     5.0146     4.2184     7.6032     6.1952     5.6077 
   H  75    4.6406     5.6443     4.8500     7.9092     6.6883     5.7263 
   H  76    3.7850     5.1133     4.3362     7.1133     6.0153     4.8726 
   H  77    3.8498     5.1372     4.3575     7.1690     6.0553     4.9372 
   H  78    3.2696     5.1473     4.4112     6.7163     5.8424     4.3481 
   H  79    2.6105     4.2754     3.5485     5.9558     4.9810     3.6975 
   H  80    4.3925     1.3414     2.1355     3.4721     1.4674     4.2375 
   H  81    5.5475     4.1495     4.8716     2.4008     2.7535     4.7737 
   H  82    4.8681     3.3651     4.0780     2.0346     1.9610     4.1728 
   H  83    4.6406     2.9055     3.6325     2.1472     1.5797     4.0317 
   H  84    4.1848     2.0353     2.7794     2.4552     0.9497     3.7597 
   H  85    3.4210     2.0953     2.6850     1.7572     0.4731     2.9069 
   H  86    4.7739     4.6778     5.2216     1.2766     3.0477     3.7855 
   H  87    5.0672     4.6702     5.2641     1.5645     3.0578     4.1143 
   H  88    5.8424     5.3931     6.0161     2.3351     3.8035     4.8666 
   H  89    5.4813     4.7141     3.9939     7.9683     6.1936     6.4248 
   H  90    6.1937     4.5644     3.9937     8.1521     6.1720     7.0098 
   H  91    6.8017     5.4544     6.1933     3.4505     4.0947     5.9577 
   H  92    6.5595     4.8196     4.2833     8.4473     6.4391     7.3623 
   H  93    7.7857     7.1131     6.4220    10.4189     8.6310     8.7822 
   H  94    8.3026     7.0147     6.4218    10.5600     8.6154     9.2186 
   H  95    5.5151     3.5854     3.0576     7.2214     5.2043     6.2462 
   H  96    8.8261     7.7437     7.1224    11.2316     9.3282     9.7795 
   H  97    9.2552     8.3964     7.7456    11.8101     9.9579    10.2427 
   H  98    7.8826     5.7140     5.3199     9.4368     7.3405     8.6140 
   H  99    9.2101     7.6894     7.1531    11.3149     9.3117    10.0963 
   H 100    6.4599     6.2586     6.8628     2.9973     4.6544     5.4345 
   H 101    7.0384     7.0885     7.6687     3.6763     5.4712     5.9797 
   H 102    7.6930     7.4016     8.0369     4.2372     5.8241     6.6589 
   H 103    8.3881     7.6571     8.3521     4.8817     6.1655     7.3987 
   H 104    8.8170     7.7431     8.4762     5.3238     6.3454     7.8738 
   H 105    8.0852     6.8781     7.6176     4.6274     5.5066     7.1784 
   H 106    9.3576     8.9374     8.2320    12.1650    10.4336    10.3934 

              H  55      H  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   H  55    0.0000 
   H  56    4.1108     0.0000 
   H  57    3.4249     0.7983     0.0000 
   H  58    0.8637     4.9016     4.2478     0.0000 
   H  59    1.6106     5.3924     4.8052     0.8295     0.0000 
   H  60    4.7815     3.2327     3.5622     5.1699     5.1661     0.0000 
   H  61    5.5632     3.5781     4.0394     5.9668     5.9613     0.7983 
   H  62    2.4215     1.6941     1.0914     3.2081     3.7260     3.2945 
   H  63    1.7268     2.4560     1.7202     2.5751     3.2170     4.0321 
   H  64    1.2576     2.9259     2.3153     1.9828     2.4901     3.6852 
   H  65    1.8060     2.3601     1.7769     2.5511     3.0412     3.3668 
   H  66    1.2995     2.8869     2.1576     2.1558     2.8288     4.2411 
   H  67    0.5703     3.5678     2.9075     1.3405     1.9579     4.2727 
   H  68    3.6675     3.0364     3.1031     4.0252     4.0276     1.1468 
   H  69    4.4610     3.6902     3.8737     4.7331     4.6245     0.7932 
   H  70    4.8666     3.2389     3.5888     5.2612     5.2615     0.0972 
   H  71    6.5739     3.1927     3.9340     7.1749     7.3736     2.5940 
   H  72    6.2475     3.7027     4.2946     6.7121     6.7595     1.6135 
   H  73    6.6121     3.5766     4.2638     7.1494     7.2727     2.2524 
   H  74    6.4371     2.4776     3.2754     7.1577     7.5148     3.5009 
   H  75    6.5463     2.4411     3.1916     7.3211     7.7616     4.2116 
   H  76    5.6880     1.5772     2.3157     6.4744     6.9411     3.8172 
   H  77    5.7535     1.6432     2.3860     6.5378     7.0004     3.8256 
   H  78    5.1393     1.1394     1.7143     5.9586     6.4914     4.0408 
   H  79    4.5152     0.4146     1.2043     5.2979     5.7701     3.2330 
   H  80    4.4783     5.4064     5.3524     4.3521     3.8869     2.8837 
   H  81    4.4399     7.3633     6.9944     3.7664     2.9443     5.7500 
   H  82    3.9429     6.6099     6.2725     3.3713     2.5946     4.9596 
   H  83    3.8957     6.2839     5.9890     3.4132     2.6917     4.5074 
   H  84    3.8071     5.6213     5.4065     3.5094     2.9273     3.6435 
   H  85    2.9304     5.0547     4.7490     2.6645     2.1564     3.5822 
   H  86    3.2002     6.8720     6.3360     2.3724     1.5952     6.1114 
   H  87    3.5744     7.1199     6.6162     2.7677     1.9640     6.1602 
   H  88    4.2805     7.9121     7.3981     3.4439     2.6786     6.9133 
   H  89    7.2298     3.8042     4.5615     7.8229     8.0054     3.1081 
   H  90    7.7648     4.8683     5.5567     8.2416     8.2847     3.1233 
   H  91    5.5218     8.6807     8.2838     4.7602     3.9352     7.0631 
   H  92    8.1104     5.2481     5.9365     8.5718     8.5948     3.4287 
   H  93    9.6009     5.8588     6.6554    10.2322    10.4458     5.5276 
   H  94   10.0098     6.5995     7.3731    10.5556    10.6612     5.5360 
   H  95    6.9674     4.4913     5.0950     7.3894     7.3818     2.2227 
   H  96   10.5840     7.0069     7.7960    11.1644    11.3088     6.2292 
   H  97   11.0581     7.3338     8.1308    11.6737    11.8601     6.8486 
   H  98    9.3245     6.6949     7.3637     9.7121     9.6464     4.5497 
   H  99   10.8744     7.5685     8.3348    11.3864    11.4479     6.2875 
   H 100    4.7685     8.5876     8.0293     3.9067     3.2302     7.7591 
   H 101    5.2541     9.2079     8.6087     4.3941     3.8155     8.5622 
   H 102    5.9719     9.8270     9.2635     5.1081     4.4599     8.9340 
   H 103    6.7723    10.4551     9.9454     5.9165     5.1959     9.2418 
   H 104    7.3036    10.8133    10.3518     6.4647     5.6998     9.3502 
   H 105    6.6568    10.0345     9.6007     5.8404     5.0462     8.4874 
   H 106   11.2206     7.2980     8.0922    11.8957    12.1610     7.3418 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    3.9356     0.0000 
   H  63    4.7213     0.8767     0.0000 
   H  64    4.4394     1.2400     0.8768     0.0000 
   H  65    4.0849     0.6874     0.7211     0.5684     0.0000 
   H  66    4.9616     1.2605     0.4376     0.7212     0.8768     0.0000 
   H  67    5.0451     1.8739     1.2605     0.6873     1.2400     0.8768 
   H  68    1.9452     2.5234     3.1248     2.6408     2.4160     3.2619 
   H  69    1.4479     3.3832     4.0016     3.4964     3.2920     4.1330 
   H  70    0.7057     3.3482     4.0957     3.7626     3.4359     4.3112 
   H  71    2.0948     4.3825     5.2592     5.3252     4.8207     5.6215 
   H  72    0.8728     4.3991     5.2364     5.0691     4.6564     5.5237 
   H  73    1.6134     4.5630     5.4310     5.3883     4.9223     5.7616 
   H  74    3.2652     4.0461     4.8825     5.1908     4.6317     5.2978 
   H  75    4.0664     4.1249     4.8941     5.3385     4.7701     5.3269 
   H  76    3.8358     3.2695     4.0228     4.4944     3.9265     4.4570 
   H  77    3.8288     3.3341     4.0914     4.5571     3.9890     4.5252 
   H  78    4.2087     2.7667     3.4296     4.0064     3.4502     3.8672 
   H  79    3.4882     2.0947     2.8695     3.3178     2.7501     3.2995 
   H  80    3.4189     4.5298     4.8169     4.0326     4.1288     4.7538 
   H  81    6.4119     5.9314     5.7330     4.8684     5.2885     5.4391 
   H  82    5.6318     5.2258     5.0940     4.2195     4.6026     4.8319 
   H  83    5.1687     4.9663     4.9070     4.0304     4.3701     4.6778 
   H  84    4.2939     4.4426     4.5229     3.6653     3.9106     4.3619 
   H  85    4.3188     3.7306     3.7181     2.8474     3.1484     3.5264 
   H  86    6.8729     5.2463     4.7985     4.0312     4.5593     4.4196 
   H  87    6.9035     5.5248     5.1255     4.3305     4.8411     4.7608 
   H  88    7.6442     6.3069     5.8796     5.1021     5.6215     5.5029 
   H  89    2.5036     5.0387     5.9155     5.9825     5.4793     6.2796 
   H  90    2.3395     5.8177     6.6768     6.5701     6.1336     6.9892 
   H  91    7.7031     7.2088     6.9455     6.0986     6.5505     6.6212 
   H  92    2.6351     6.1888     7.0454     6.9239     6.4947     7.3534 
   H  93    4.8541     7.3105     8.1778     8.3445     7.8168     8.5698 
   H  94    4.7714     7.8676     8.7442     8.7752     8.2885     9.1025 
   H  95    1.4244     5.1895     6.0186     5.8146     5.4224     6.2943 
   H  96    5.4838     8.3714     9.2466     9.3372     8.8317     9.6214 
   H  97    6.1281     8.7831     9.6518     9.8034     9.2809    10.0417 
   H  98    3.7614     7.5439     8.3826     8.1842     7.7936     8.6646 
   H  99    5.5006     8.7887     9.6639     9.6533     9.1824    10.0110 
   H 100    8.5000     6.9441     6.4409     5.7152     6.2569     6.0408 
   H 101    9.3143     7.5371     6.9668     6.2979     6.8545     6.5498 
   H 102    9.6598     8.1800     7.6611     6.9485     7.4932     7.2551 
   H 103    9.9250     8.8543     8.4110     7.6465     8.1687     8.0242 
   H 104    9.9931     9.2623     8.8853     8.0850     8.5837     8.5176 
   H 105    9.1234     8.5156     8.1841     7.3628     7.8440     7.8324 
   H 106    6.6858     8.8621     9.7081     9.9643     9.4181    10.1193 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    3.1806     0.0000 
   H  69    4.0025     0.8768     0.0000 
   H  70    4.3550     1.2400     0.8768     0.0000 
   H  71    6.0070     3.5034     3.3849     2.5081     0.0000 
   H  72    5.7085     2.7327     2.3179     1.5162     1.3989     0.0000 
   H  73    6.0551     3.2897     3.0140     2.1580     0.6740     0.7983 
   H  74    5.8715     4.0856     4.2645     3.4390     1.4824     2.7746 
   H  75    5.9964     4.6460     4.9416     4.1601     2.3588     3.6339 
   H  76    5.1433     4.0615     4.4814     3.7830     2.5348     3.5873 
   H  77    5.2078     4.0902     4.4974     3.7897     2.4916     3.5640 
   H  78    4.6181     4.0574     4.6132     4.0251     3.2142     4.1059 
   H  79    3.9680     3.1834     3.7642     3.2267     2.8811     3.5177 
   H  80    4.2346     2.4008     2.0938     2.9620     5.4589     4.2752 
   H  81    4.5953     4.8805     4.9800     5.8417     8.3271     7.2844 
   H  82    4.0208     4.0837     4.1944     5.0519     7.5327     6.5046 
   H  83    3.9061     3.6646     3.7361     4.5988     7.0885     6.0413 
   H  84    3.6893     2.8551     2.8660     3.7336     6.2315     5.1662 
   H  85    2.8231     2.5968     2.8760     3.6784     6.0937     5.1812 
   H  86    3.5450     5.0429     5.4428     6.2086     8.5269     7.7234 
   H  87    3.8841     5.1278     5.4608     6.2569     8.6285     7.7644 
   H  88    4.6278     5.9006     6.1974     7.0095     9.4037     8.5099 
   H  89    6.6635     4.0885     3.8842     3.0164     0.6588     1.6832 
   H  90    7.2199     4.2571     3.7684     3.0269     1.7729     1.5302 
   H  91    5.7553     6.2179     6.2847     7.1534     9.6487     8.5733 
   H  92    7.5690     4.5706     4.0404     3.3333     2.1383     1.8639 
   H  93    9.0310     6.5387     6.2833     5.4331     3.0723     3.9849 
   H  94    9.4489     6.6453     6.2123     5.4388     3.4854     3.9226 
   H  95    6.4392     3.3695     2.8069     2.1297     1.8388     0.8019 
   H  96   10.0181     7.3156     6.9309     6.1321     4.0124     4.6205 
   H  97   10.4889     7.9051     7.5748     6.7522     4.4992     5.2569 
   H  98    8.8028     5.6885     5.0221     4.4617     3.6053     3.1464 
   H  99   10.3192     7.4204     6.9139     6.1911     4.4190     4.6890 
   H 100    5.1805     6.7240     7.0556     7.8558    10.2222     9.3622 
   H 101    5.7160     7.5039     7.8749     8.6592    10.9891    10.1712 
   H 102    6.4017     7.9226     8.2121     9.0301    11.4254    10.5273 
   H 103    7.1535     8.3045     8.4849     9.3354    11.7943    10.7977 
   H 104    7.6411     8.4820     8.5737     9.4409    11.9321    10.8631 
   H 105    6.9565     7.6367     7.7082     8.5775    11.0731     9.9927 
   H 106   10.6509     8.3213     8.1067     7.2485     4.8223     5.8193 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    2.1471     0.0000 
   H  75    3.0236     0.8768     0.0000 
   H  76    3.1322     1.2400     0.8769     0.0000 
   H  77    3.0957     1.1766     0.8057     0.0739     0.0000 
   H  78    3.7580     2.0319     1.6200     0.8057     0.8768     0.0000 
   H  79    3.3144     2.0739     2.0319     1.1766     1.2400     0.8768 
   H  80    5.0317     6.3445     6.9852     6.4498     6.4749     6.4545 
   H  81    7.9937     8.9484     9.4326     8.7362     8.7797     8.5012 
   H  82    7.2065     8.1541     8.6465     7.9598     8.0020     7.7452 
   H  83    6.7499     7.7462     8.2615     7.5949     7.6347     7.4131 
   H  84    5.8798     6.9394     7.4894     6.8576     6.8933     6.7328 
   H  85    5.8289     6.6252     7.0940     6.3991     6.4419     6.1877 
   H  86    8.3299     8.8488     9.1762     8.3861     8.4412     7.9927 
   H  87    8.3985     9.0201     9.3832     8.6106     8.6634     8.2493 
   H  88    9.1587     9.8146    10.1802     9.4067     9.4597     9.0396 
   H  89    0.8923     1.7932     2.6245     2.9772     2.9239     3.7135 
   H  90    1.2937     3.1792     4.0305     4.3031     4.2572     4.9854 
   H  91    9.2973    10.2893    10.7725    10.0707    10.1150     9.8198 
   H  92    1.6737     3.5167     4.3565     4.6603     4.6127     5.3526 
   H  93    3.2752     3.4076     3.8434     4.5844     4.5128     5.3896 
   H  94    3.4064     4.3015     4.9120     5.5380     5.4718     6.3333 
   H  95    1.1679     3.3148     4.1912     4.2591     4.2280     4.8329 
   H  96    4.0364     4.6064     5.1058     5.8146     5.7445     6.6198 
   H  97    4.6157     4.8750     5.2569     6.0309     5.9583     6.8334 
   H  98    3.1201     4.9576     5.7776     6.1212     6.0721     6.8195 
   H  99    4.2650     5.2980     5.9112     6.5356     6.4698     7.3294 
   H 100    9.9975    10.5762    10.9044    10.1105    10.1663     9.7018 
   H 101   10.7888    11.2791    11.5665    10.7537    10.8121    10.3038 
   H 102   11.1808    11.8083    12.1433    11.3505    11.4062    10.9398 
   H 103   11.4929    12.2998    12.6987    11.9381    11.9896    11.5847 
   H 104   11.5868    12.5346    12.9844    12.2543    12.3022    11.9507 
   H 105   10.7200    11.7013    12.1691    11.4527    11.4989    11.1736 
   H 106    5.0930     4.8282     5.0115     5.8556     5.7817     6.6307 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    5.5787     0.0000 
   H  81    7.6610     3.1198     0.0000 
   H  82    6.8975     2.4057     0.7970     0.0000 
   H  83    6.5558     1.9330     1.2440     0.4752     0.0000 
   H  84    5.8633     1.1212     2.1182     1.3473     0.8768     0.0000 
   H  85    5.3370     1.7306     2.3393     1.5617     1.2400     0.8769 
   H  86    7.2311     4.0967     1.8467     1.9532     2.3115     2.9788 
   H  87    7.4676     3.9696     1.4516     1.6889     2.0993     2.8498 
   H  88    8.2620     4.5917     1.6889     2.2063     2.6663     3.4890 
   H  89    3.4715     5.9194     8.8580     8.0675     7.6152     6.7489 
   H  90    4.5965     5.5682     8.6547     7.8924     7.4212     6.5452 
   H  91    8.9864     4.3411     1.3414     2.1355     2.5617     3.4198 
   H  92    4.9746     5.7694     8.8732     8.1200     7.6467     6.7732 
   H  93    5.4670     8.2544    11.2623    10.4777    10.0183     9.1455 
   H  94    6.2422     8.0062    11.1029    10.3434     9.8716     8.9961 
   H  95    4.2896     4.5682     7.6575     6.8980     6.4259     5.5507 
   H  96    6.6290     8.7711    11.8551    11.0889    10.6191     9.7426 
   H  97    6.9402     9.4653    12.5288    11.7551    11.2884    10.4118 
   H  98    6.4327     6.4343     9.5457     8.8386     8.3644     7.5160 
   H  99    7.2184     8.5860    11.7035    10.9632    10.4885     9.6197 
   H 100    8.9517     5.4775     2.5289     3.0900     3.5518     4.3733 
   H 101    9.5846     6.3442     3.4018     3.9640     4.4231     5.2351 
   H 102   10.1916     6.5258     3.4425     4.1207     4.5951     5.4522 
   H 103   10.8006     6.6340     3.5239     4.2935     4.7603     5.6371 
   H 104   11.1408     6.6215     3.6062     4.4026     4.8439     5.7079 
   H 105   10.3524     5.7461     2.7563     3.5531     3.9856     4.8439 
   H 106    6.8880    10.0919    13.0867    12.2993    11.8428    10.9719 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    2.5835     0.0000 
   H  87    2.5850     0.4456     0.0000 
   H  88    3.3311     1.0836     0.7970     0.0000 
   H  89    6.6614     9.1277     9.2153     9.9840     0.0000 
   H  90    6.6438     9.2085     9.2280     9.9574     1.4157     0.0000 
   H  91    3.6785     2.4757     2.0354     1.6620    10.1685     9.9081 
   H  92    6.9092     9.4828     9.4895    10.2093     1.7321     0.3801 
   H  93    9.1010    11.5795    11.6631    12.4283     2.4522     2.8315 
   H  94    9.0880    11.6432    11.6730    12.4068     2.8315     2.4521 
   H  95    5.6744     8.2486     8.2550     8.9767     1.8397     1.0001 
   H  96    9.8013    12.3401    12.3849    13.1280     3.3548     3.2031 
   H  97   10.4305    12.9454    13.0080    13.7614     3.8564     3.9061 
   H  98    7.7955    10.3759    10.3293    11.0034     3.1644     1.8397 
   H  99    9.7813    12.3563    12.3595    13.0736     3.7759     3.1643 
   H 100    4.1813     1.7293     1.5991     0.8859    10.8123    10.8207 
   H 101    4.9995     2.4624     2.4188     1.7577    11.5899    11.6432 
   H 102    5.3522     2.9671     2.8002     2.0229    12.0068    11.9648 
   H 103    5.7079     3.6164     3.3354     2.5475    12.3461    12.1785 
   H 104    5.9094     4.1048     3.7598     3.0231    12.4567    12.1897 
   H 105    5.0799     3.4687     3.0828     2.4199    11.5922    11.3140 
   H 106   10.9011    13.3488    13.4488    14.2211     4.2400     4.6468 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92   10.1097     0.0000 
   H  93   12.5572     2.8059     0.0000 
   H  94   12.3471     2.2399     1.4158     0.0000 
   H  95    8.9082     1.2348     3.7760     3.4457     0.0000 
   H  96   13.1112     3.0231     1.2868     0.8135     4.2030     0.0000 
   H  97   13.7994     3.7599     1.4766     1.6022     4.9034     0.7971 
   H  98   10.7007     1.4674     3.4457     2.2900     2.3717     3.0689 
   H  99   12.9109     2.8735     2.2900     1.0000     4.1077     1.1540 
   H 100    2.1342    11.0776    13.2610    13.2677     9.8439    13.9825 
   H 101    2.8736    11.9073    14.0416    14.0855    10.6727    14.7910 
   H 102    2.5890    12.2095    14.4511    14.4160    10.9793    15.1428 
   H 103    2.3470    12.3962    14.7667    14.6268    11.1814    15.3784 
   H 104    2.2900    12.3846    14.8472    14.6237    11.1896    15.3922 
   H 105    1.4245    11.5080    13.9773    13.7473    10.3139    14.5163 
   H 106   14.3872     4.5801     1.8397     2.6458     5.6084     1.9204 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    3.8653     0.0000 
   H  99    1.7992     2.3715     0.0000 
   H 100   14.6071    11.8859    13.9448     0.0000 
   H 101   15.4035    12.7402    14.7779     0.8769     0.0000 
   H 102   15.7811    12.9593    15.0668     1.2400     0.8768     0.0000 
   H 103   16.0484    13.0331    15.2197     2.0380     1.9721     1.1121 
   H 104   16.0852    12.9288    15.1683     2.7145     2.8059     1.9721 
   H 105   15.2106    12.0555    14.2919     2.3520     2.7145     2.0380 
   H 106    1.2046     4.9340     3.0000    15.0437    15.8107    16.2436 

              H 103      H 104      H 105      H 106
              --------------------------------------------
   H 103    0.0000 
   H 104    0.8768     0.0000 
   H 105    1.2400     0.8768     0.0000 
   H 106   16.5834    16.6772    15.8086     0.0000 



ATOMIC CHARGES
   O   1   -0.3914745102
   O   2   -0.3448915620
   O   3   -0.3885524514
   O   4   -0.3405231338
   O   5   -0.3841039501
   O   6   -0.3864008834
   O   7   -0.3864882690
   O   8   -0.3923661820
   C   9   -0.0229075420
   C  10   -0.0208843604
   C  11   -0.0271091025
   C  12   -0.0251664788
   C  13   -0.0036450953
   C  14   -0.0278349458
   C  15   -0.0465577070
   C  16   -0.0227117633
   C  17   -0.0066833961
   C  18    0.0591990496
   C  19   -0.0464215878
   C  20   -0.0486183680
   C  21   -0.0052295637
   C  22   -0.0467401025
   C  23   -0.0447194822
   C  24   -0.0587821748
   C  25   -0.0587101909
   C  26   -0.0590176711
   C  27    0.0671742594
   C  28   -0.0254703566
   C  29    0.0667528117
   C  30   -0.0571810219
   C  31   -0.0571810219
   C  32   -0.0205524869
   C  33   -0.0357980149
   C  34   -0.0319287993
   C  35    0.1882293015
   C  36    0.1341214310
   C  37   -0.0851951869
   C  38    0.1140614559
   C  39    0.1130051273
   C  40    0.1118957571
   C  41   -0.0796159127
   C  42    0.0730151421
   C  43   -0.0440495336
   C  44   -0.0440495336
   H  45    0.0312352525
   H  46    0.0334673776
   H  47    0.0312101930
   H  48    0.0270865248
   H  49    0.0270865248
   H  50    0.0293138519
   H  51    0.0293138519
   H  52    0.0332005380
   H  53    0.0596195908
   H  54    0.0270882575
   H  55    0.0270882575
   H  56    0.0268459257
   H  57    0.0268459257
   H  58    0.0269096190
   H  59    0.0269096190
   H  60    0.0271490310
   H  61    0.0271490310
   H  62    0.0235329978
   H  63    0.0235329978
   H  64    0.0235329978
   H  65    0.0235339138
   H  66    0.0235339138
   H  67    0.0235339138
   H  68    0.0235246195
   H  69    0.0235246195
   H  70    0.0235246195
   H  71    0.0602243388
   H  72    0.0290466184
   H  73    0.0290466184
   H  74    0.0235873613
   H  75    0.0235873613
   H  76    0.0235873613
   H  77    0.0235873613
   H  78    0.0235873613
   H  79    0.0235873613
   H  80    0.2097886464
   H  81    0.0295787511
   H  82    0.0295787511
   H  83    0.0257300014
   H  84    0.0257300014
   H  85    0.0257300014
   H  86    0.2101589270
   H  87    0.0308291446
   H  88    0.0308291446
   H  89    0.0937497551
   H  90    0.0670952741
   H  91    0.0571463148
   H  92    0.0647581102
   H  93    0.0646676548
   H  94    0.0646728421
   H  95    0.2101104719
   H  96    0.0583701609
   H  97    0.0583701609
   H  98    0.2100050343
   H  99    0.2100035480
   H 100    0.0274269287
   H 101    0.0274269287
   H 102    0.0274269287
   H 103    0.0274269287
   H 104    0.0274269287
   H 105    0.0274269287
   H 106    0.2095080306


BOND ANGLES
  18    1   80   C3   O3   HO    120.002
  27    2   35   C3   O3   C3    119.999
  29    3   86   C3   O3   HO    119.997
  35    4   39   C3   O3   C3    120.006
  36    5   95   C3   O3   HO    120.001
  38    6   98   C3   O3   HO    119.997
  40    7   99   C3   O3   HO    120.003
  42    8  106   C3   O3   HO    120.002
  10    9   11   C3   C3   C3    119.999
  10    9   15   C3   C3   C3    119.115
  10    9   24   C3   C3   C3     79.999
  11    9   15   C3   C3   C3    120.886
  11    9   24   C3   C3   C3    160.003
  15    9   24   C3   C3   C3     39.117
   9   10   13   C3   C3   C3    120.001
   9   10   19   C3   C3   C3    132.151
   9   10   25   C3   C3   C3     80.011
  13   10   19   C3   C3   C3    107.848
  13   10   25   C3   C3   C3    159.989
  19   10   25   C3   C3   C3     52.140
   9   11   12   C3   C3   C3    120.885
   9   11   16   C3   C3   C3    120.001
   9   11   45   C3   C3   HC     60.001
  12   11   16   C3   C3   C3    119.114
  12   11   45   C3   C3   HC    179.114
  16   11   45   C3   C3   HC     59.999
  11   12   14   C3   C3   C3    119.554
  11   12   23   C3   C3   C3    119.561
  11   12   26   C3   C3   C3     60.444
  14   12   23   C3   C3   C3    120.884
  14   12   26   C3   C3   C3    179.974
  23   12   26   C3   C3   C3     59.117
  10   13   17   C3   C3   C3    107.854
  10   13   18   C3   C3   C3    120.001
  10   13   46   C3   C3   HC    173.923
  17   13   18   C3   C3   C3    132.146
  17   13   46   C3   C3   HC     66.069
  18   13   46   C3   C3   HC     66.077
  12   14   20   C3   C3   C3    119.561
  12   14   21   C3   C3   C3    120.879
  12   14   47   C3   C3   HC    179.344
  20   14   21   C3   C3   C3    119.560
  20   14   47   C3   C3   HC     59.783
  21   14   47   C3   C3   HC     59.777
   9   15   20   C3   C3   C3    119.552
   9   15   48   C3   C3   HC    160.299
   9   15   49   C3   C3   HC     80.148
  20   15   48   C3   C3   HC     80.149
  20   15   49   C3   C3   HC    160.300
  48   15   49   HC   C3   HC     80.151
  11   16   18   C3   C3   C3    120.001
  11   16   50   C3   C3   HC    159.996
  11   16   51   C3   C3   HC     80.006
  18   16   50   C3   C3   HC     80.004
  18   16   51   C3   C3   HC    159.993
  50   16   51   HC   C3   HC     79.990
  13   17   22   C3   C3   C3    108.094
  13   17   29   C3   C3   C3    125.950
  13   17   52   C3   C3   HC    171.067
  22   17   29   C3   C3   C3    125.956
  22   17   52   C3   C3   HC     62.973
  29   17   52   C3   C3   HC     62.983
   1   18   13   O3   C3   C3    120.001
   1   18   16   O3   C3   C3    120.001
   1   18   53   O3   C3   HC     60.003
  13   18   16   C3   C3   C3    119.999
  13   18   53   C3   C3   HC     59.998
  16   18   53   C3   C3   HC    179.974
  10   19   22   C3   C3   C3    108.103
  10   19   54   C3   C3   HC     83.958
  10   19   55   C3   C3   HC    167.929
  22   19   54   C3   C3   HC    167.939
  22   19   55   C3   C3   HC     83.968
  54   19   55   HC   C3   HC     83.971
  14   20   15   C3   C3   C3    119.561
  14   20   56   C3   C3   HC     80.151
  14   20   57   C3   C3   HC    160.298
  15   20   56   C3   C3   HC    160.288
  15   20   57   C3   C3   HC     80.141
  56   20   57   HC   C3   HC     80.147
  14   21   27   C3   C3   C3    119.561
  14   21   30   C3   C3   C3    150.213
  14   21   31   C3   C3   C3     90.215
  27   21   30   C3   C3   C3     90.226
  27   21   31   C3   C3   C3    150.225
  30   21   31   C3   C3   C3     59.999
  17   22   19   C3   C3   C3    108.101
  17   22   58   C3   C3   HC    167.934
  17   22   59   C3   C3   HC     83.955
  19   22   58   C3   C3   HC     83.965
  19   22   59   C3   C3   HC    167.944
  58   22   59   HC   C3   HC     83.979
  12   23   28   C3   C3   C3    119.555
  12   23   60   C3   C3   HC     80.137
  12   23   61   C3   C3   HC    160.294
  28   23   60   C3   C3   HC    160.309
  28   23   61   C3   C3   HC     80.151
  60   23   61   HC   C3   HC     80.158
   9   24   62   C3   C3   HC     90.006
   9   24   63   C3   C3   HC    179.974
   9   24   64   C3   C3   HC     90.007
  62   24   63   HC   C3   HC     89.987
  62   24   64   HC   C3   HC    179.974
  63   24   64   HC   C3   HC     90.000
  10   25   65   C3   C3   HC     90.002
  10   25   66   C3   C3   HC    179.974
  10   25   67   C3   C3   HC     90.004
  65   25   66   HC   C3   HC     89.991
  65   25   67   HC   C3   HC    179.974
  66   25   67   HC   C3   HC     90.003
  12   26   68   C3   C3   HC     90.007
  12   26   69   C3   C3   HC    179.974
  12   26   70   C3   C3   HC     90.002
  68   26   69   HC   C3   HC     89.991
  68   26   70   HC   C3   HC    179.974
  69   26   70   HC   C3   HC     90.000
   2   27   21   O3   C3   C3    120.216
   2   27   28   O3   C3   C3    120.226
   2   27   71   O3   C3   HC     60.108
  21   27   28   C3   C3   C3    119.557
  21   27   71   C3   C3   HC    179.676
  28   27   71   C3   C3   HC     60.119
  23   28   27   C3   C3   C3    119.565
  23   28   72   C3   C3   HC     80.147
  23   28   73   C3   C3   HC    160.291
  27   28   72   C3   C3   HC    160.289
  27   28   73   C3   C3   HC     80.144
  72   28   73   HC   C3   HC     80.144
   3   29   17   O3   C3   C3     89.995
   3   29   32   O3   C3   C3     90.000
   3   29   33   O3   C3   C3    179.974
  17   29   32   C3   C3   C3    179.974
  17   29   33   C3   C3   C3     90.000
  32   29   33   C3   C3   C3     90.005
  21   30   74   C3   C3   HC     90.001
  21   30   75   C3   C3   HC    179.974
  21   30   76   C3   C3   HC     90.003
  74   30   75   HC   C3   HC     89.987
  74   30   76   HC   C3   HC    179.974
  75   30   76   HC   C3   HC     90.008
  21   31   77   C3   C3   HC     89.997
  21   31   78   C3   C3   HC    179.974
  21   31   79   C3   C3   HC     90.007
  77   31   78   HC   C3   HC     89.992
  77   31   79   HC   C3   HC    179.974
  78   31   79   HC   C3   HC     90.005
  29   32   34   C3   C3   C3    120.001
  29   32   81   C3   C3   HC    159.995
  29   32   82   C3   C3   HC     80.002
  34   32   81   C3   C3   HC     80.004
  34   32   82   C3   C3   HC    159.996
  81   32   82   HC   C3   HC     79.992
  29   33   83   C3   C3   HC     90.000
  29   33   84   C3   C3   HC    179.974
  29   33   85   C3   C3   HC     90.003
  83   33   84   HC   C3   HC     89.988
  83   33   85   HC   C3   HC    179.974
  84   33   85   HC   C3   HC     90.009
  32   34   37   C3   C3   C2    120.001
  32   34   87   C3   C3   HC     80.004
  32   34   88   C3   C3   HC    160.005
  37   34   87   C2   C3   HC    159.994
  37   34   88   C2   C3   HC     79.993
  87   34   88   HC   C3   HC     80.001
   2   35    4   O3   C3   O3    120.006
   2   35   36   O3   C3   C3    120.001
   2   35   89   O3   C3   HC     60.005
   4   35   36   O3   C3   C3    119.992
   4   35   89   O3   C3   HC    179.974
  36   35   89   C3   C3   HC     59.996
   5   36   35   O3   C3   C3    119.997
   5   36   38   O3   C3   C3    119.996
   5   36   90   O3   C3   HC     59.999
  35   36   38   C3   C3   C3    120.006
  35   36   90   C3   C3   HC    179.974
  38   36   90   C3   C3   HC     59.998
  34   37   41   C3   C2   C2    120.007
  34   37   91   C3   C2   HC    119.997
  41   37   91   C2   C2   HC    119.996
   6   38   36   O3   C3   C3    120.000
   6   38   40   O3   C3   C3    120.006
   6   38   92   O3   C3   HC     59.998
  36   38   40   C3   C3   C3    119.994
  36   38   92   C3   C3   HC     60.002
  40   38   92   C3   C3   HC    179.974
   4   39   40   O3   C3   C3    119.995
   4   39   42   O3   C3   C3    119.999
   4   39   93   O3   C3   HC     60.003
  40   39   42   C3   C3   C3    120.006
  40   39   93   C3   C3   HC    179.974
  42   39   93   C3   C3   HC     59.996
   7   40   38   O3   C3   C3    119.999
   7   40   39   O3   C3   C3    119.995
   7   40   94   O3   C3   HC     59.997
  38   40   39   C3   C3   C3    120.006
  38   40   94   C3   C3   HC    179.974
  39   40   94   C3   C3   HC     59.998
  37   41   43   C2   C2   C3    120.002
  37   41   44   C2   C2   C3    119.990
  43   41   44   C3   C2   C3    120.009
   8   42   39   O3   C3   C3    120.006
   8   42   96   O3   C3   HC    160.000
   8   42   97   O3   C3   HC     79.998
  39   42   96   C3   C3   HC     79.994
  39   42   97   C3   C3   HC    159.996
  96   42   97   HC   C3   HC     80.002
  41   43  103   C2   C3   HC     89.997
  41   43  104   C2   C3   HC    179.974
  41   43  105   C2   C3   HC     90.003
 103   43  104   HC   C3   HC     90.000
 103   43  105   HC   C3   HC    179.974
 104   43  105   HC   C3   HC     90.000
  41   44  100   C2   C3   HC     89.999
  41   44  101   C2   C3   HC    179.974
  41   44  102   C2   C3   HC     89.994
 100   44  101   HC   C3   HC     90.013
 100   44  102   HC   C3   HC    179.974
 101   44  102   HC   C3   HC     89.994


TORSION ANGLES
  13   18    1   80    179.974
  16   18    1   80      0.026
  53   18    1   80    179.974
  21   27    2   35    179.974
  28   27    2   35      0.026
  71   27    2   35      0.026
   4   35    2   27    179.974
  36   35    2   27      0.026
  89   35    2   27      0.026
  17   29    3   86    179.974
  32   29    3   86      0.026
  33   29    3   86    179.974
  39    4   35    2    179.974
  39    4   35   36      0.026
  39    4   35   89      0.026
  35    4   39   40      0.026
  35    4   39   42    179.974
  35    4   39   93    179.974
  35   36    5   95    179.974
  38   36    5   95      0.026
  90   36    5   95      0.026
  36   38    6   98    179.974
  40   38    6   98      0.026
  92   38    6   98    179.974
  38   40    7   99    179.974
  39   40    7   99      0.026
  94   40    7   99      0.026
 106    8   42   39    179.974
 106    8   42   96      0.026
 106    8   42   97      0.026
  11    9   10   13      0.026
  11    9   10   19    179.974
  11    9   10   25    179.974
  15    9   10   13    179.974
  15    9   10   19      0.026
  15    9   10   25      0.026
  24    9   10   13    179.974
  24    9   10   19      0.026
  24    9   10   25      0.026
  10    9   11   12    179.974
  10    9   11   16      0.026
  10    9   11   45      0.026
  15    9   11   12      0.026
  15    9   11   16    179.974
  15    9   11   45    179.974
  24    9   11   12      0.026
  24    9   11   16    179.974
  24    9   11   45    179.974
  10    9   15   20    179.974
  10    9   15   48      0.026
  10    9   15   49      0.026
  11    9   15   20      0.026
  11    9   15   48    179.974
  11    9   15   49    179.974
  24    9   15   20    179.974
  24    9   15   48      0.026
  24    9   15   49      0.026
  10    9   24   62    179.974
  10    9   24   63    179.974
  10    9   24   64      0.026
  11    9   24   62      0.026
  11    9   24   63      0.026
  11    9   24   64    179.974
  15    9   24   62      0.026
  15    9   24   63      0.026
  15    9   24   64    179.974
   9   10   13   17    179.974
   9   10   13   18      0.026
   9   10   13   46    179.974
  19   10   13   17      0.026
  19   10   13   18    179.974
  19   10   13   46      0.026
  25   10   13   17      0.026
  25   10   13   18    179.974
  25   10   13   46      0.026
   9   10   19   22    179.974
   9   10   19   54      0.026
   9   10   19   55      0.026
  13   10   19   22      0.026
  13   10   19   54    179.974
  13   10   19   55    179.974
  25   10   19   22    179.974
  25   10   19   54      0.026
  25   10   19   55      0.026
   9   10   25   65      0.026
   9   10   25   66      0.026
   9   10   25   67    179.974
  13   10   25   65    179.974
  13   10   25   66    179.974
  13   10   25   67      0.026
  19   10   25   65    179.974
  19   10   25   66    179.974
  19   10   25   67      0.026
   9   11   12   14      0.026
   9   11   12   23    179.974
   9   11   12   26    179.974
  16   11   12   14    179.974
  16   11   12   23      0.026
  16   11   12   26      0.026
  45   11   12   14    179.974
  45   11   12   23      0.026
  45   11   12   26      0.026
   9   11   16   18      0.026
   9   11   16   50    179.974
   9   11   16   51    179.974
  12   11   16   18    179.974
  12   11   16   50      0.026
  12   11   16   51      0.026
  45   11   16   18      0.026
  45   11   16   50    179.974
  45   11   16   51    179.974
  11   12   14   20      0.026
  11   12   14   21    179.974
  11   12   14   47      0.026
  23   12   14   20    179.974
  23   12   14   21      0.026
  23   12   14   47    179.974
  26   12   14   20      0.026
  26   12   14   21    179.974
  26   12   14   47      0.026
  11   12   23   28    179.974
  11   12   23   60      0.026
  11   12   23   61      0.026
  14   12   23   28      0.026
  14   12   23   60    179.974
  14   12   23   61    179.974
  26   12   23   28    179.974
  26   12   23   60      0.026
  26   12   23   61      0.026
  11   12   26   68      0.026
  11   12   26   69      0.026
  11   12   26   70    179.974
  14   12   26   68      0.026
  14   12   26   69      0.026
  14   12   26   70    179.974
  23   12   26   68    179.974
  23   12   26   69    179.974
  23   12   26   70      0.026
  10   13   17   22      0.026
  10   13   17   29    179.974
  10   13   17   52      0.026
  18   13   17   22    179.974
  18   13   17   29      0.026
  18   13   17   52    179.974
  46   13   17   22    179.974
  46   13   17   29      0.026
  46   13   17   52    179.974
  10   13   18    1    179.974
  10   13   18   16      0.026
  10   13   18   53    179.974
  17   13   18    1      0.026
  17   13   18   16    179.974
  17   13   18   53      0.026
  46   13   18    1      0.026
  46   13   18   16    179.974
  46   13   18   53      0.026
  12   14   20   15      0.026
  12   14   20   56    179.974
  12   14   20   57    179.974
  21   14   20   15    179.974
  21   14   20   56      0.026
  21   14   20   57      0.026
  47   14   20   15    179.974
  47   14   20   56      0.026
  47   14   20   57      0.026
  12   14   21   27      0.026
  12   14   21   30    179.974
  12   14   21   31    179.974
  20   14   21   27    179.974
  20   14   21   30      0.026
  20   14   21   31      0.026
  47   14   21   27    179.974
  47   14   21   30      0.026
  47   14   21   31      0.026
   9   15   20   14      0.026
   9   15   20   56    179.974
   9   15   20   57    179.974
  48   15   20   14    179.974
  48   15   20   56      0.026
  48   15   20   57      0.026
  49   15   20   14    179.974
  49   15   20   56      0.026
  49   15   20   57      0.026
  11   16   18    1    179.974
  11   16   18   13      0.026
  11   16   18   53      0.026
  50   16   18    1      0.026
  50   16   18   13    179.974
  50   16   18   53    179.974
  51   16   18    1      0.026
  51   16   18   13    179.974
  51   16   18   53    179.974
  13   17   22   19      0.026
  13   17   22   58    179.974
  13   17   22   59    179.974
  29   17   22   19    179.974
  29   17   22   58      0.026
  29   17   22   59      0.026
  52   17   22   19    179.974
  52   17   22   58      0.026
  52   17   22   59      0.026
  13   17   29    3    179.974
  13   17   29   32    179.974
  13   17   29   33      0.026
  22   17   29    3      0.026
  22   17   29   32      0.026
  22   17   29   33    179.974
  52   17   29    3      0.026
  52   17   29   32      0.026
  52   17   29   33    179.974
  10   19   22   17      0.026
  10   19   22   58    179.974
  10   19   22   59    179.974
  54   19   22   17    179.974
  54   19   22   58      0.026
  54   19   22   59      0.026
  55   19   22   17    179.974
  55   19   22   58      0.026
  55   19   22   59      0.026
  14   21   27    2    179.974
  14   21   27   28      0.026
  14   21   27   71      0.026
  30   21   27    2      0.026
  30   21   27   28    179.974
  30   21   27   71    179.974
  31   21   27    2      0.026
  31   21   27   28    179.974
  31   21   27   71    179.974
  14   21   30   74    179.974
  14   21   30   75    179.974
  14   21   30   76      0.026
  27   21   30   74      0.026
  27   21   30   75      0.026
  27   21   30   76    179.974
  31   21   30   74    179.974
  31   21   30   75    179.974
  31   21   30   76      0.026
  14   21   31   77    179.974
  14   21   31   78    179.974
  14   21   31   79      0.026
  27   21   31   77      0.026
  27   21   31   78      0.026
  27   21   31   79    179.974
  30   21   31   77      0.026
  30   21   31   78      0.026
  30   21   31   79    179.974
  12   23   28   27      0.026
  12   23   28   72    179.974
  12   23   28   73    179.974
  60   23   28   27    179.974
  60   23   28   72      0.026
  60   23   28   73      0.026
  61   23   28   27    179.974
  61   23   28   72      0.026
  61   23   28   73      0.026
   2   27   28   23    179.974
   2   27   28   72      0.026
   2   27   28   73      0.026
  21   27   28   23      0.026
  21   27   28   72    179.974
  21   27   28   73    179.974
  71   27   28   23    179.974
  71   27   28   72      0.026
  71   27   28   73      0.026
   3   29   32   34      0.026
   3   29   32   81    179.974
   3   29   32   82    179.974
  17   29   32   34      0.026
  17   29   32   81    179.974
  17   29   32   82    179.974
  33   29   32   34    179.974
  33   29   32   81      0.026
  33   29   32   82      0.026
   3   29   33   83    179.974
   3   29   33   84    179.974
   3   29   33   85      0.026
  17   29   33   83    179.974
  17   29   33   84    179.974
  17   29   33   85      0.026
  32   29   33   83      0.026
  32   29   33   84      0.026
  32   29   33   85    179.974
  29   32   34   37    179.974
  29   32   34   87      0.026
  29   32   34   88      0.026
  81   32   34   37      0.026
  81   32   34   87    179.974
  81   32   34   88    179.974
  82   32   34   37      0.026
  82   32   34   87    179.974
  82   32   34   88    179.974
  32   34   37   41    179.974
  32   34   37   91      0.026
  87   34   37   41      0.026
  87   34   37   91    179.974
  88   34   37   41      0.026
  88   34   37   91    179.974
   2   35   36    5      0.026
   2   35   36   38    179.974
   2   35   36   90      0.026
   4   35   36    5    179.974
   4   35   36   38      0.026
   4   35   36   90    179.974
  89   35   36    5      0.026
  89   35   36   38    179.974
  89   35   36   90      0.026
   5   36   38    6      0.026
   5   36   38   40    179.974
   5   36   38   92      0.026
  35   36   38    6    179.974
  35   36   38   40      0.026
  35   36   38   92    179.974
  90   36   38    6      0.026
  90   36   38   40    179.974
  90   36   38   92      0.026
  34   37   41   43    179.974
  34   37   41   44      0.026
  91   37   41   43      0.026
  91   37   41   44    179.974
   6   38   40    7      0.026
   6   38   40   39    179.974
   6   38   40   94      0.026
  36   38   40    7    179.974
  36   38   40   39      0.026
  36   38   40   94    179.974
  92   38   40    7    179.974
  92   38   40   39      0.026
  92   38   40   94    179.974
   4   39   40    7    179.974
   4   39   40   38      0.026
   4   39   40   94    179.974
  42   39   40    7      0.026
  42   39   40   38    179.974
  42   39   40   94      0.026
  93   39   40    7    179.974
  93   39   40   38      0.026
  93   39   40   94    179.974
   4   39   42    8      0.026
   4   39   42   96    179.974
   4   39   42   97    179.974
  40   39   42    8    179.974
  40   39   42   96      0.026
  40   39   42   97      0.026
  93   39   42    8      0.026
  93   39   42   96    179.974
  93   39   42   97    179.974
  37   41   43  103    179.974
  37   41   43  104    179.974
  37   41   43  105      0.026
  44   41   43  103      0.026
  44   41   43  104      0.026
  44   41   43  105    179.974
  37   41   44  100      0.026
  37   41   44  101    179.974
  37   41   44  102    179.974
  43   41   44  100    179.974
  43   41   44  101      0.026
  43   41   44  102      0.026


CHIRAL ATOMS
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026
  43   41   44  102      0.026