Sign In Join Free

Products Information

Stevioside
Stevioside ID: API-34698
CAS:57817-89-7
Supplier:APIchem

Get a quote


SMILES:O([C@@]12C[C@@]3(C([C@@]4(C(CC3)[C@](CCC4)(C)C(=O)OC3OC(C(O)C(O)C3O)CO)C)CC1)CC2=C)C1OC(C(O)C(O)C1O)COC1OC(C(O)C(O)C1O)CO	ChemMol.com
FORMULA: C38H60O18
MASS: 804.8722
EXACT MASS: 804.3779651
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    7.6038     0.0000 
   O   3    7.4062     1.7321     0.0000 
   O   4    1.7320     8.5001     7.9643     0.0000 
   O   5    1.9999     9.4454     9.3683     2.6457     0.0000 
   O   6    8.9472     1.7321     1.7320     9.6279    10.8657     0.0000 
   O   7    3.4640    11.0612    10.7612     3.0000     2.0000    12.3577 
   O   8    4.0000    11.1394    10.5321     2.6458     3.4641    12.2210 
   O   9    9.0882     2.0000     3.6055    10.1805    10.7880     2.6457 
   O  10    3.6055     8.9434     8.0344     2.0000     4.5826     9.7639 
   O  11   10.9645     3.4641     4.5826    11.9492    12.7205     3.0000 
   O  12   11.5355     4.0000     4.3589    12.2691    13.4193     2.6458 
   O  13   11.4061     4.3589     4.0000    11.9042    13.3651     2.6458 
   O  14    5.0000     8.7836     7.5931     3.6055     6.2450     9.3083 
   O  15    5.1961    10.9142     9.9292     3.4640     5.5677    11.6612 
   O  16    7.0000    11.7837    10.5694     5.2915     7.5498    12.2728 
   O  17    7.5498    10.9295     9.5287     6.0000     8.5440    11.1628 
   O  18    6.2450     7.9846     6.5376     5.1961     7.8102     8.1630 
   C  19    3.2470     4.8864     4.2953     3.6801     5.2469     5.9478 
   C  20    3.1777     4.4771     4.2522     4.0589     5.1181     5.7695 
   C  21    4.1400     3.4671     3.4529     5.1001     6.0205     4.8498 
   C  22    4.9745     2.8171     2.4636     5.7080     6.9169     3.9784 
   C  23    2.1548     5.5635     5.2550     2.9851     4.1396     6.8224 
   C  24    4.2498     4.4667     3.5616     4.4658     6.2458     5.2767 
   C  25    1.0000     6.7170     6.4338     2.0000     2.9999     8.0029 
   C  26    2.5484     5.0911     5.1094     3.7913     4.3574     6.5261 
   C  27    2.7375     5.8763     5.1898     2.7903     4.6891     6.8763 
   C  28    5.0209     3.4536     2.5403     5.4339     7.0167     4.2430 
   C  29    5.9679     1.7320     1.7321     6.7813     7.8688     3.0000 
   C  30    4.4581     3.3844     3.8875     5.6912     6.1578     4.9920 
   C  31    1.5637     6.0891     6.0399     2.9703     3.3667     7.5019 
   C  32    1.8020     6.6320     6.0946     1.8812     3.7069     7.7487 
   C  33    3.4465     4.2408     4.4253     4.6633     5.2110     5.7400 
   C  34    6.2130     1.5200     2.4635     7.2551     7.9961     3.1941 
   C  35    5.5388     2.5624     3.4880     6.7671     7.2012     4.2680 
   C  36    6.4062     2.0000     1.0000     6.9901     8.3696     2.6457 
   C  37    6.9590     1.0000     1.0000     7.7172     8.8675     2.0000 
   C  38    2.0608     7.5416     6.8790     1.1906     3.6063     8.5696 
   C  39    1.0000     8.4489     8.1161     1.0000     1.7320     9.7148 
   C  40    1.7320     9.3318     9.0734     1.7321     0.9999    10.6481 
   C  41    2.6458    10.1809     9.8157     2.0000     1.7321    11.4328 
   C  42    8.5807     1.0000     2.0000     9.4245    10.4369     1.0000 
   C  43    2.6457     9.4243     8.8005     1.0000     3.0000    10.4891 
   C  44    3.0000    10.2234     9.6906     1.7320     2.6458    11.3590 
   C  45    9.2747     1.7321     3.0000    10.2234    11.0686     1.7320 
   C  46    3.4641     9.6273     8.8323     1.7320     4.0000    10.5517 
   C  47   10.2387     2.6458     3.6055    11.1394    12.0511     2.0000 
   C  48    9.9431     2.6458     2.6457    10.5955    11.8650     1.0000 
   C  49   10.5478     3.0001     3.4641    11.3120    12.4243     1.7321 
   C  50   10.4062     3.4641     3.0000    10.9152    12.3657     1.7321 
   C  51    4.5825     9.3195     8.2531     2.9999     5.5677     9.9826 
   C  52    5.2914    10.3160     9.2267     3.6055     5.9999    10.9534 
   C  53    6.2450    10.7837     9.5757     4.5826     7.0000    11.2826 
   C  54    6.0000     9.3285     8.0136     4.5826     7.2111     9.6936 
   C  55    6.5574    10.3241     9.0131     5.0000     7.5498    10.6907 
   C  56    6.5575     8.9622     7.5338     5.2915     7.9373     9.1629 
   H  57    3.4135     4.2284     4.3424     4.5758     5.2170     5.6949 
   H  58    5.7016     2.5015     1.7084     6.2820     7.6714     3.3474 
   H  59    1.9613     5.6426     5.5202     3.1388     3.8577     7.0111 
   H  60    2.6350     4.9947     4.7987     3.5984     4.5711     6.3129 
   H  61    4.7796     4.5304     3.4063     4.8388     6.7643     5.1383 
   H  62    4.0423     5.0816     4.1138     4.0405     6.0108     5.8401 
   H  63    2.5696     5.3031     5.4992     4.0202     4.1892     6.8245 
   H  64    3.1442     4.5623     4.7273     4.4097     4.8914     6.0588 
   H  65    3.3511     5.6912     4.8436     3.2542     5.2875     6.5588 
   H  66    2.8459     6.4044     5.6108     2.5094     4.6948     7.3213 
   H  67    5.6127     2.9674     1.9252     6.0538     7.6036     3.6384 
   H  68    5.3421     3.7596     2.5769     5.5718     7.3415     4.3089 
   H  69    3.8595     3.9874     4.3742     5.1514     5.5384     5.5657 
   H  70    4.5453     3.6846     4.3860     5.9126     6.1091     5.3589 
   H  71    1.1461     6.6663     6.6568     2.7732     2.7791     8.1050 
   H  72    1.9160     6.0168     6.1444     3.4846     3.4654     7.5156 
   H  73    2.9839     4.6229     4.5932     4.0883     4.8443     6.0258 
   H  74    3.1018     4.7630     5.0336     4.4839     4.7457     6.3085 
   H  75    3.9525     3.9200     4.3403     5.2485     5.6224     5.5096 
   H  76    6.6103     1.5260     2.8482     7.7371     8.3263     3.2577 
   H  77    6.7675     0.9003     2.0518     7.7425     8.5797     2.5863 
   H  78    5.4175     3.1056     4.1069     6.7630     6.9665     4.8296 
   H  79    6.1092     2.3983     3.6079     7.3728     7.7208     4.1303 
   H  80    6.9496     1.4956     0.5573     7.5876     8.8956     2.0403 
   H  81    6.7383     2.3716     0.8744     7.1865     8.7233     2.6009 
   H  82    5.8779     2.5558     1.5679     6.3966     7.8572     3.2567 
   H  83    2.6807     7.6427     6.8454     1.6070     4.1643     8.5609 
   H  84    1.8210     8.0449     7.4483     0.5713     3.0986     9.1258 
   H  85    0.9341     8.4982     8.3376     1.8501     1.0827     9.8681 
   H  86    2.5045    10.0995     9.8939     2.5045     0.9341    11.4504 
   H  87    3.4601    10.9227    10.4802     2.5342     2.5045    12.1246 
   H  88    8.3512     0.9341     2.5343     9.3328    10.1361     1.8500 
   H  89    2.6215     8.7776     8.0643     0.9341     3.5032     9.7692 
   H  90    3.5031    10.3357     9.6647     1.9293     3.4601    11.3653 
   H  91    9.9057     2.5045     3.8500    10.9284    11.6461     2.5044 
   H  92    2.6200    10.0287     9.9797     3.1408     0.6200    11.4661 
   H  93    4.0760     9.9928     9.1124     2.3450     4.5874    10.8408 
   H  94    3.7220    10.1941     9.4324     2.0295     3.9399    11.1482 
   H  95   11.0633     3.4602     4.2394    11.9288    12.8884     2.5343 
   H  96    4.0130    11.5865    11.2303     3.3533     2.6200    12.8484 
   H  97    9.4819     2.6216     2.0790    10.0248    11.4370     0.9341 
   H  98   10.8760     3.5032     3.5668    11.5251    12.7944     1.9294 
   H  99    4.3432    11.2359    10.5374     2.8291     4.0130    12.2447 
   H 100    9.5866     2.6200     4.2100    10.7237    11.2440     3.1407 
   H 101   10.5321     3.8917     3.1670    10.9451    12.5101     2.1829 
   H 102    9.8261     3.1022     2.4267    10.3076    11.7935     1.4156 
   H 103   11.5546     4.0130     5.0104    12.5116    13.3237     3.3532 
   H 104    4.3786     9.8321     8.8642     2.6781     5.0767    10.5962 
   H 105   11.9320     4.3434     4.8708    12.7235    13.7885     3.1408 
   H 106    4.4969     9.9803     9.0071     2.7879     5.1499    10.7391 
   H 107   11.7289     4.8708     4.3433    12.1490    13.7030     3.1408 
   H 108    7.0655    11.2359     9.9419     5.4196     7.8500    11.6228 
   H 109    5.6234     8.4829     7.1640     4.3786     7.0230     8.8465 
   H 110    6.9262     9.9958     8.5976     5.4747     8.0853    10.2375 
   H 111    5.7414    11.5272    10.5246     4.0130     5.9770    12.2560 
   H 112    7.0886     8.9993     7.5012     5.8749     8.5193     9.0819 
   H 113    6.9906     9.5757     8.1333     5.6350     8.2727     9.7497 
   H 114    7.5791    12.1077    10.8353     5.8808     8.1660    12.5213 
   H 115    7.8169    10.7268     9.2702     6.3328     8.9210    10.8706 
   H 116    6.7056     7.8246     6.3040     5.7415     8.3333     7.8775 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.0000     0.0000 
   O   9   12.5428    12.8248     0.0000 
   O  10    4.3589     3.0000    10.8071     0.0000 
   O  11   14.4282    14.5924     2.0000    12.3914     0.0000 
   O  12   14.9683    14.8664     3.4641    12.3891     2.0001     0.0000 
   O  13   14.7479    14.4170     4.5826    11.7498     3.6056     1.7320 
   O  14    6.0828     4.5826    10.7460     1.7321    12.1298    11.8517 
   O  15    4.5826     2.6457    12.7959     2.0000    14.3495    14.2640 
   O  16    6.5574     4.5826    13.7437     3.4641    15.1220    14.7792 
   O  17    7.9373     6.0828    12.9268     4.0000    14.1096    13.5429 
   O  18    7.9372     6.5574     9.9845     3.6055    11.1149    10.5571 
   C  19    6.4826     6.2874     6.6917     4.1290     8.3505     8.5895 
   C  20    6.6046     6.7045     6.1229     4.8788     7.9030     8.3653 
   C  21    7.5943     7.7454     5.0812     5.8591     6.8716     7.4040 
   C  22    8.3802     8.3375     4.6568     6.1535     6.2812     6.5932 
   C  23    5.5364     5.6279     7.1971     3.9915     8.9897     9.4332 
   C  24    7.3735     6.9841     6.3955     4.5113     7.8911     7.9175 
   C  25    4.3588     4.5825     8.2887     3.4641    10.1205    10.6095 
   C  26    6.0095     6.3835     6.5410     5.0007     8.4195     9.0624 
   C  27    5.7032     5.3452     7.6917     3.1353     9.3398     9.5220 
   C  28    8.2804     7.9919     5.4109     5.5526     6.8578     6.8869 
   C  29    9.4042     9.4159     3.6055     7.2252     5.1962     5.5678 
   C  30    7.9029     8.3037     4.6426     6.6995     6.5628     7.3815 
   C  31    5.0157     5.4854     7.5282     4.4446     9.4167    10.0537 
   C  32    4.7201     4.5083     8.3551     2.7538    10.0886    10.3888 
   C  33    6.9037     7.2726     5.6417     5.7424     7.5309     8.2314 
   C  34    9.6768     9.8999     2.9258     7.9373     4.7515     5.5086 
   C  35    8.9757     9.3855     3.5869     7.7018     5.5377     6.4935 
   C  36    9.7662     9.5758     4.0000     7.1538     5.2915     5.2915 
   C  37   10.3857    10.3387     3.0000     8.0362     4.3589     4.5826 
   C  38    4.1899     3.6533     9.3091     1.7913    11.0051    11.2153 
   C  39    2.6457     3.0000    10.0033     3.0000    11.8491    12.3310 
   C  40    1.7320     2.6458    10.8147     3.6056    12.6963    13.2498 
   C  41    0.9999     1.7320    11.7231     3.4641    13.5786    14.0551 
   C  42   12.0322    12.0547     1.7320     9.7653     2.6458     3.0001 
   C  43    2.6457     1.7320    11.1406     1.7321    12.8826    13.1346 
   C  44    1.7321     1.0000    11.8746     2.6457    13.6660    14.0009 
   C  45   12.7382    12.8652     1.0000    10.6662     1.7320     2.6458 
   C  46    3.4641     2.0000    11.4319     1.0000    13.0899    13.1908 
   C  47   13.6998    13.7747     1.7321    11.4953     1.0000     1.7321 
   C  48   13.3468    13.1751     3.0000    10.6634     2.6458     1.7321 
   C  49   13.9866    13.9205     2.6458    11.4941     1.7321     1.0000 
   C  50   13.7505    13.4395     4.0000    10.8019     3.4641     2.0000 
   C  51    5.1961     3.6055    11.2415     0.9999    12.7252    12.5686 
   C  52    5.2914     3.4640    12.2410     1.7320    13.7153    13.5261 
   C  53    6.2450     4.3589    12.7444     2.6458    14.1243    13.7999 
   C  54    6.9282     5.2915    11.3161     2.6457    12.5904    12.1633 
   C  55    7.0000     5.1961    12.3096     3.0000    13.5904    13.1503 
   C  56    7.8103     6.2450    10.9618     3.4641    12.1128    11.5515 
   H  57    6.8764     7.1964     5.6815     5.6072     7.5519     8.2087 
   H  58    9.0542     8.8749     4.4730     6.4998     5.9017     5.9919 
   H  59    5.4227     5.7353     7.1558     4.3976     9.0114     9.5833 
   H  60    6.0726     6.2375     6.5911     4.5801     8.4022     8.9025 
   H  61    7.7962     7.2728     6.5068     4.6397     7.8819     7.7521 
   H  62    7.0007     6.4885     7.0151     3.9262     8.4965     8.4723 
   H  63    5.9651     6.5322     6.6030     5.4081     8.5316     9.3005 
   H  64    6.5958     7.0032     5.9471     5.5664     7.8447     8.5532 
   H  65    6.2195     5.7165     7.5751     3.2535     9.1382     9.1999 
   H  66    5.4964     4.9434     8.2535     2.5542     9.8619     9.9644 
   H  67    8.8948     8.6086     4.9557     6.1350     6.3142     6.2789 
   H  68    8.4903     8.0568     5.7517     5.4654     7.0702     6.9243 
   H  69    7.2942     7.7433     5.2572     6.2680     7.1823     7.9871 
   H  70    7.9341     8.4805     4.7036     7.0659     6.6738     7.6425 
   H  71    4.5061     5.1457     8.0484     4.4568     9.9598    10.6433 
   H  72    5.2583     5.9120     7.3250     5.0442     9.2556    10.0110 
   H  73    6.4467     6.7148     6.1396     5.1227     7.9873     8.5775 
   H  74    6.5159     7.0351     6.0464     5.7567     7.9754     8.7626 
   H  75    7.3845     7.8397     5.1702     6.3621     7.0995     7.9189 
   H  76   10.0654    10.3761     2.4779     8.4978     4.3966     5.3580 
   H  77   10.2306    10.3878     2.4894     8.3178     4.2153     4.8943 
   H  78    8.8042     9.3441     3.8905     7.8444     5.8789     6.9640 
   H  79    9.5284     9.9841     3.0990     8.3216     5.0830     6.1821 
   H  80   10.3357    10.1826     3.4769     7.7737     4.6842     4.6842 
   H  81   10.0341     9.7252     4.3433     7.1792     5.4429     5.2101 
   H  82    9.2031     8.9706     4.5475     6.5337     5.9015     5.9015 
   H  83    4.5624     3.7596     9.4727     1.3787    11.1028    11.2022 
   H  84    3.5713     3.1019     9.7682     1.7871    11.5033    11.7702 
   H  85    2.6215     3.5032     9.9296     3.8500    11.8299    12.4466 
   H  86    1.0828     2.6216    11.5278     4.2394    13.4330    14.0396 
   H  87    0.9341     1.0828    12.5060     3.5668    14.3405    14.7582 
   H  88   11.8152    11.9774     1.0828     9.8467     2.6216     3.5032 
   H  89    3.4601     2.5045    10.5511     1.0828    12.2416    12.4141 
   H  90    2.5045     0.9341    12.0672     2.0791    13.7970    14.0108 
   H  91   13.3677    13.5739     0.9341    11.4447     1.0828     2.6216 
   H  92    1.7732     3.5192    11.3349     5.0104    13.2790    14.0099 
   H  93    3.8917     2.1943    11.8347     1.0813    13.4474    13.4683 
   H  94    3.1022     1.4332    11.9762     1.5968    13.6581    13.7895 
   H  95   14.5214    14.5572     2.5046    12.2203     0.9342     1.0828 
   H  96    0.6200     1.7733    13.1011     4.4727    14.9723    15.4695 
   H  97   12.8393    12.5693     3.5032     9.9818     3.4602     2.5046 
   H  98   14.2809    14.0990     3.4601    11.5612     2.5045     0.9341 
   H  99    2.6200     0.6200    12.9737     2.7430    14.6983    14.8893 
   H 100   13.0303    13.3650     0.6200    11.3943     1.7732     3.5192 
   H 101   13.8262    13.4255     4.5875    10.7180     4.0762     2.5068 
   H 102   13.1548    12.8249     3.9399    10.1819     3.7221     2.5068 
   H 103   15.0186    15.1521     2.6200    12.9060     0.6200     1.7732 
   H 104    4.4803     2.7880    11.7134     0.9341    13.2695    13.2069 
   H 105   15.3791    15.3348     3.5192    12.9045     1.7733     0.6200 
   H 106    4.4969     2.7608    11.8627     1.0828    13.4167    13.3481 
   H 107   15.0303    14.6232     5.1927    11.8964     4.2101     2.2900 
   H 108    7.0656     5.1500    13.2167     3.4601    14.5169    14.0843 
   H 109    6.9802     5.5157    10.4727     2.6215    11.7404    11.3260 
   H 110    7.6859     5.9475    11.9932     3.5032    13.1793    12.6342 
   H 111    4.8212     2.8292    13.4131     2.6200    14.9587    14.8519 
   H 112    8.4267     6.8637    10.9974     4.0761    12.0588    11.3986 
   H 113    8.0067     6.3410    11.5756     3.7220    12.7086    12.1128 
   H 114    7.1725     5.1927    14.0822     4.0130    15.4063    14.9894 
   H 115    8.4158     6.6019    12.7268     4.3434    13.8394    13.1977 
   H 116    8.5255     7.1725     9.8194     4.2100    10.8560    10.2021 

              O  13      O  14      O  15      O  16      O  17      O  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14   10.9984     0.0000 
   O  15   13.5252     2.6458     0.0000 
   O  16   13.8304     3.0001     2.0000     0.0000 
   O  17   12.4399     2.6458     3.4641     2.0000     0.0000 
   O  18    9.5100     1.9999     4.5825     4.3589     3.0000     0.0000 
   C  19    8.2675     4.3940     6.1272     7.2835     6.9326     4.5077 
   C  20    8.2471     5.3308     6.8723     8.1583     7.9031     5.5064 
   C  21    7.3973     6.1590     7.8584     9.0595     8.6582     6.0685 
   C  22    6.4500     6.1611     8.1394     9.1398     8.5110     5.7325 
   C  23    9.2545     4.7112     5.9537     7.3802     7.3467     5.2632 
   C  24    7.4444     4.3682     6.4584     7.3566     6.7208     4.0164 
   C  25   10.4325     4.5826     5.2914     6.9282     7.2111     5.5678 
   C  26    9.0726     5.7512     6.9379     8.4124     8.3830     6.2115 
   C  27    9.1143     3.5504     5.1351     6.3572     6.1579     4.0139 
   C  28    6.4772     5.3357     7.4941     8.3347     7.5789     4.7376 
   C  29    5.5677     7.1527     9.2047    10.1462     9.4150     6.5467 
   C  30    7.6253     7.1490     8.6846     9.9958     9.6887     7.1459 
   C  31   10.0239     5.4567     6.2910     7.9063     8.1006     6.2358 
   C  32   10.0542     3.6549     4.7034     6.1779     6.2986     4.5677 
   C  33    8.3279     6.3207     7.7124     9.0945     8.9125     6.5326 
   C  34    5.8397     8.0321     9.9350    11.0032    10.3795     7.5617 
   C  35    6.9113     8.0305     9.6965    10.9338    10.5055     7.8300 
   C  36    4.9999     6.8430     9.0832     9.8398     8.9335     5.9846 
   C  37    4.5826     7.8095     9.9905    10.8091     9.9313     6.9846 
   C  38   10.7809     2.9539     3.7092     5.2488     5.5490     4.2387 
   C  39   12.1053     4.5826     4.3588     6.2450     7.0000     6.0828 
   C  40   13.0690     5.2915     4.5826     6.5575     7.5499     6.9282 
   C  41   13.7927     5.1962     3.9999     6.0000     7.2111     7.0000 
   C  42    3.4641     9.4857    11.7134    12.4798    11.5084     8.5251 
   C  43   12.6944     3.4641     2.6457     4.5826     5.5678     5.2915 
   C  44   13.6166     4.3589     2.9999     5.0000     6.2450     6.2449 
   C  45    3.6055    10.4471    12.6299    13.4449    12.5007     9.5209 
   C  46   12.6222     2.6457     1.7320     3.6055     4.5826     4.5825 
   C  47    3.0000    11.1790    13.4387    14.1653    13.1246    10.1278 
   C  48    1.7321    10.1229    12.5327    13.0581    11.8574     8.8633 
   C  49    2.0000    11.0289    13.3932    13.9833    12.8227     9.8249 
   C  50    1.0000    10.1063    12.6034    12.9765    11.6517     8.6899 
   C  51   11.7996     1.0001     1.7320     2.6458     3.0001     3.0000 
   C  52   12.7149     1.7321     1.0000     1.7321     2.6458     3.6055 
   C  53   12.8780     2.0001     1.7321     1.0000     1.7321     3.4641 
   C  54   11.1866     1.0000     3.0000     2.6458     1.7320     1.7320 
   C  55   12.1482     1.7321     2.6457     1.7320     1.0000     2.6458 
   C  56   10.4822     1.7321     4.0001     3.4642     2.0000     1.0000 
   H  57    8.2679     6.1570     7.5834     8.9449     8.7434     6.3517 
   H  58    5.7064     6.2823     8.4484     9.2823     8.4745     5.5789 
   H  59    9.5117     5.2502     6.3136     7.8326     7.8939     5.8762 
   H  60    8.7941     5.1976     6.5543     7.9365     7.8125     5.5735 
   H  61    7.1536     4.2576     6.5231     7.2571     6.4617     3.6355 
   H  62    7.9297     3.7503     5.8562     6.7369     6.1315     3.5036 
   H  63    9.4137     6.2702     7.2993     8.8525     8.9117     6.8094 
   H  64    8.6422     6.2236     7.5209     8.9501     8.8353     6.5341 
   H  65    8.7010     3.3494     5.2258     6.2694     5.8802     3.5342 
   H  66    9.4739     2.9439     4.5489     5.7376     5.5658     3.5671 
   H  67    5.8587     5.8289     8.0586     8.8279     7.9761     5.0659 
   H  68    6.3602     5.0600     7.3524     8.0552     7.1780     4.2713 
   H  69    8.1870     6.8391     8.2352     9.6214     9.4229     6.9996 
   H  70    8.0042     7.6210     9.0308    10.4175    10.1913     7.7083 
   H  71   10.6373     5.6342     6.2004     7.9131     8.2588     6.5829 
   H  72   10.0882     6.0766     6.8618     8.5080     8.7206     6.8255 
   H  73    8.5615     5.7205     7.0947     8.4772     8.3246     6.0133 
   H  74    8.9125     6.4966     7.6860     9.1711     9.1218     6.8778 
   H  75    8.1351     6.9243     8.3304     9.7122     9.5046     7.0681 
   H  76    5.8729     8.6355    10.4974    11.5995    10.9961     8.1817 
   H  77    5.2300     8.3005    10.3073    11.2907    10.5672     7.6867 
   H  78    7.4645     8.2971     9.8243    11.1496    10.8227     8.2255 
   H  79    6.7441     8.6342    10.3164    11.5465    11.0920     8.3822 
   H  80    4.4738     7.4458     9.7018    10.4395     9.4945     6.5272 
   H  81    4.7207     6.7188     9.0625     9.6967     8.6795     5.6967 
   H  82    5.5456     6.2435     8.4646     9.2425     8.3807     5.4584 
   H  83   10.6741     2.3414     3.3727     4.7638     4.9536     3.6506 
   H  84   11.3707     3.2381     3.5138     5.2167     5.7384     4.7116 
   H  85   12.3374     5.4197     5.1500     7.0656     7.8500     6.8610 
   H  86   13.8924     5.9601     4.9267     6.9263     8.0854     7.6761 
   H  87   14.4337     5.2652     3.6499     5.6233     7.0230     7.1709 
   H  88    4.2217     9.7153    11.8244    12.7152    11.8607     8.9100 
   H  89   11.9204     2.7609     2.6215     4.3786     5.0767     4.4969 
   H  90   13.5233     3.7111     2.1500     4.1500     5.4335     5.6632 
   H  91    3.9271    11.2695    13.4181    14.2689    13.3450    10.3679 
   H  92   13.9748     6.7056     5.8193     7.8169     8.9210     8.3333 
   H  93   12.8287     2.4060     1.1266     2.9899     4.0631     4.3998 
   H  94   13.2363     3.1512     1.6278     3.6167     4.8385     5.1245 
   H  95    2.6781    11.8320    14.1455    14.8033    13.6901    10.6902 
   H  96   15.2045     6.1648     4.4186     6.3470     7.8438     8.0774 
   H  97    1.9294     9.3678    11.8186    12.2809    11.0417     8.0534 
   H  98    1.1500    10.9715    13.4131    13.8833    12.6228     9.6417 
   H  99   14.3694     4.2029     2.0698     3.9755     5.5285     6.1987 
   H 100    4.8212    11.3570    13.3862    14.3536    13.5461    10.6046 
   H 101    1.0813     9.9310    12.4714    12.7522    11.3595     8.4290 
   H 102    1.5967     9.4930    11.9848    12.3719    11.0691     8.0983 
   H 103    3.4849    12.5925    14.8527    15.5766    14.5126    11.5134 
   H 104   12.5031     1.8500     1.0828     2.6216     3.5032     3.8499 
   H 105    2.2901    12.4084    14.7959    15.3479    14.1353    11.1454 
   H 106   12.6370     1.9295     0.9340     2.5045     3.4602     3.9272 
   H 107    0.6200    11.0627    13.6257    13.8415    12.3846     9.4962 
   H 108   13.0752     2.5343     2.5045     0.9341     1.0828     3.5668 
   H 109   10.3750     0.9341     3.5032     3.4602     2.5045     1.0828 
   H 110   11.5597     1.9294     3.4601     2.5045     0.9341     2.0790 
   H 111   14.0879     3.1409     0.6200     1.7733     3.5192     5.0104 
   H 112   10.2571     2.3451     4.5875     3.8917     2.1943     1.0812 
   H 113   11.0080     2.0295     3.9400     3.1022     1.4332     1.5967 
   H 114   13.9818     3.3533     2.6200     0.6200     1.7732     4.4726 
   H 115   12.0437     2.8293     4.0131     2.6201     0.6200     2.7430 
   H 116    9.0884     2.6200     5.1927     4.8708     3.3533     0.6200 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.0000     0.0000 
   C  21    1.7761     1.0417     0.0000 
   C  22    2.0693     1.8001     1.0416     0.0000 
   C  23    1.1817     1.0874     2.1215     2.8442     0.0000 
   C  24    1.0416     1.7760     2.0693     1.8001     2.2233     0.0000 
   C  25    2.2470     2.2470     3.2536     4.0245     1.1816     3.2536 
   C  26    1.8020     1.0000     1.6782     2.6513     1.0428     2.7324 
   C  27    1.0000     1.8019     2.7324     3.0609     1.2520     1.6781 
   C  28    1.8001     2.0693     1.8001     1.0416     2.8831     1.0416 
   C  29    3.1543     2.7996     1.8500     1.0850     3.8757     2.7916 
   C  30    2.7597     1.8377     1.0850     1.8500     2.7559     3.1541 
   C  31    2.2470     1.8019     2.6541     3.5770     1.0874     3.2822 
   C  32    1.8019     2.2469     3.2822     3.8304     1.2520     2.6541 
   C  33    2.0282     1.0283     1.0000     2.0416     1.7599     2.7062 
   C  34    3.8083     3.1971     2.1554     1.8751     4.2730     3.6751 
   C  35    3.6509     2.8243     1.8751     2.1555     3.8106     3.8200 
   C  36    3.3128     3.2555     2.4946     1.4784     4.2552     2.6460 
   C  37    4.0528     3.7843     2.8499     2.0151     4.8507     3.5322 
   C  38    2.6579     3.2296     4.2550     4.7255     2.2516     3.3378 
   C  39    3.8458     3.9763     4.9853     5.7392     2.8984     4.7686 
   C  40    4.8253     4.8846     5.8657     6.6699     3.8272     5.7632 
   C  41    5.5255     5.7073     6.7172     7.4619     4.6266     6.3949 
   C  42    5.7751     5.4339     4.4407     3.7174     6.5161     5.2569 
   C  43    4.5596     5.0188     6.0601     6.6161     3.9583     5.2558 
   C  44    5.4115     5.7651     6.8028     7.4379     4.6814     6.1724 
   C  45    6.6184     6.1847     5.1594     4.5491     7.2721     6.1734 
   C  46    4.7479     5.3714     6.3940     6.8129     4.3793     5.2751 
   C  47    7.5019     7.1228     6.1089     5.4386     8.2092     6.9853 
   C  48    6.9175     6.7654     5.8498     4.9710     7.8136     6.2070 
   C  49    7.6357     7.3821     6.4125     5.6202     8.4544     7.0002 
   C  50    7.2716     7.2478     6.4047     5.4516     8.2546     6.4603 
   C  51    4.6692     5.5197     6.4411     6.5961     4.7373     4.8535 
   C  52    5.6611     6.4946     7.4297     7.5961     5.6744     5.8511 
   C  53    6.3089     7.2003     8.0846     8.1452     6.4584     6.3593 
   C  54    5.2020     6.1711     6.9349     6.8266     5.6308     5.0285 
   C  55    6.1080     7.0566     7.8617     7.7971     6.4392     5.9971 
   C  56    5.2504     6.2477     6.8949     6.6373     5.8702     4.8796 
   H  57    1.8491     0.8501     0.8937     1.9294     1.6394     2.5255 
   H  58    2.6029     2.5670     1.8916     0.8500     3.5484     1.9907 
   H  59    1.7225     1.2700     2.1812     3.0616     0.6200     2.7494 
   H  60    1.1527     0.5470     1.5318     2.3468     0.6200     2.1157 
   H  61    1.6387     2.3901     2.5786     2.0981     2.8148     0.6200 
   H  62    1.1172     2.0633     2.5711     2.4124     2.2036     0.6200 
   H  63    2.4220     1.5817     2.0497     3.0783     1.5757     3.3411 
   H  64    2.0319     1.0529     1.2824     2.3187     1.5757     2.8096 
   H  65    1.0528     2.0319     2.8097     2.9193     1.7687     1.2825 
   H  66    1.5816     2.4219     3.3411     3.6028     1.7893     2.0498 
   H  67    2.4123     2.5785     2.0980     1.1172     3.4642     1.6387 
   H  68    2.0980     2.5711     2.4124     1.6387     3.2566     1.1173 
   H  69    2.5128     1.5217     1.1539     2.1344     2.2816     3.0993 
   H  70    3.2628     2.2912     1.6818     2.4641     3.0775     3.7410 
   H  71    2.8185     2.4220     3.2552     4.1934     1.6383     3.8596 
   H  72    2.6778     2.0319     2.6949     3.6947     1.5974     3.6820 
   H  73    1.5151     0.5641     1.1766     2.1336     1.1462     2.3401 
   H  74    2.3901     1.4299     1.6200     2.6616     1.7976     3.1959 
   H  75    2.5885     1.6017     1.1766     2.1337     2.3768     3.1528 
   H  76    4.3725     3.6972     2.6637     2.4873     4.7527     4.2863 
   H  77    4.2048     3.6892     2.6563     2.1702     4.7752     3.9342 
   H  78    3.9040     2.9915     2.1701     2.6563     3.8783     4.2107 
   H  79    4.2630     3.4442     2.4872     2.6638     4.4251     4.3869 
   H  80    3.9076     3.7786     2.9345     1.9787     4.8082     3.2655 
   H  81    3.5515     3.6487     2.9938     1.9532     4.5851     2.7412 
   H  82    2.7289     2.7725     2.1454     1.1066     3.7231     2.0266 
   H  83    2.7813     3.5008     4.4880     4.8336     2.6269     3.2847 
   H  84    3.1858     3.6510     4.6906     5.2377     2.6074     3.9268 
   H  85    4.1740     4.1011     5.0438     5.9004     3.0886     5.1661 
   H  86    5.6636     5.6810     6.6408     7.4751     4.6400     6.6099 
   H  87    6.1857     6.4460     7.4698     8.1710     5.3592     6.9995 
   H  88    5.7623     5.2824     4.2500     3.6993     6.3687     5.3880 
   H  89    3.8913     4.4630     5.4933     5.9606     3.4541     4.5046 
   H  90    5.4586     5.9476     6.9883     7.5227     4.8910     6.1069 
   H  91    7.3661     6.8729     5.8357     5.3019     7.9571     6.9704 
   H  92    5.8670     5.7280     6.6178     7.5252     4.7576     6.8651 
   H  93    5.1437     5.8314     6.8377     7.1907     4.8768     5.5800 
   H  94    5.3085     5.8858     6.9179     7.3773     4.8643     5.8721 
   H  95    8.2738     7.9321     6.9273     6.2211     9.0165     7.7103 
   H  96    6.9385     7.1168     8.1204     8.8765     6.0387     7.7945 
   H  97    6.3671     6.3189     5.4707     4.5210     7.3325     5.5853 
   H  98    7.8483     7.6982     6.7766     5.9047     8.7477     7.1240 
   H  99    6.3546     6.8546     7.8952     8.4212     5.7977     6.9762 
   H 100    7.2721     6.6726     5.6322     5.2510     7.7386     7.0015 
   H 101    7.3460     7.4054     6.6178     5.6280     8.3774     6.4792 
   H 102    6.6731     6.6787     5.8619     4.8890     7.6723     5.8488 
   H 103    8.8932     8.4747     7.4482     6.8253     9.5621     8.3975 
   H 104    5.0491     5.8121     6.7883     7.0568     4.9218     5.3789 
   H 105    9.0490     8.7756     7.7924     7.0255     9.8525     8.4146 
   H 106    5.1992     5.9614     6.9382     7.2061     5.0684     5.5258 
   H 107    8.5494     8.5925     7.7821     6.8068     9.5741     7.6833 
   H 108    6.9256     7.8505     8.6930     8.6754     7.1670     6.8765 
   H 109    4.4635     5.4496     6.1652     6.0093     4.9984     4.2167 
   H 110    6.0630     7.0446     7.7690     7.5928     6.5442     5.8081 
   H 111    6.7469     7.4911     8.4783     8.7564     6.5666     7.0680 
   H 112    5.5707     6.5705     7.1489     6.8067     6.2761     5.0976 
   H 113    5.8424     6.8369     7.5027     7.2563     6.4212     5.4952 
   H 114    7.7123     8.6124     9.4866     9.5141     7.8732     7.7194 
   H 115    6.9382     7.9255     8.6247     8.4036     7.4462     6.6347 
   H 116    4.7178     5.7039     6.1731     5.7363     5.5707     4.1038 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.8020     0.0000 
   C  27    1.8020     2.2470     0.0000 
   C  28    4.0245     3.0610     2.6512     0.0000 
   C  29    5.0462     3.5263     4.1449     1.8377     0.0000 
   C  30    3.7219     1.9278     3.6388     2.7995     2.1555     0.0000 
   C  31    1.0000     1.0000     2.2470     3.8304     4.5032     2.8945 
   C  32    1.0000     2.2470     1.0000     3.5770     4.9076     4.0020 
   C  33    2.6908     0.9018     2.7712     2.7113     2.7603     1.0311 
   C  34    5.3790     3.6695     4.8049     2.8242     1.0850     1.8751 
   C  35    4.8051     3.0129     4.5939     3.1971     1.8751     1.0851 
   C  36    5.4345     4.1297     4.2308     1.6055     1.0000     3.0585 
   C  37    6.0270     4.5262     5.0214     2.5005     1.0000     3.0666 
   C  38    1.6935     3.2296     1.6935     4.3388     5.8101     5.0013 
   C  39    1.7320     3.4724     3.1247     5.6458     6.7733     5.3985 
   C  40    2.6457     4.2783     4.1243     6.6248     7.6829     6.1778 
   C  41    3.4641     5.1835     4.7202     7.3180     8.5023     7.1018 
   C  42    7.6797     6.0803     6.7501     4.2193     2.6457     4.3831 
   C  43    3.0000     4.7894     3.6132     6.2604     7.6972     6.6828 
   C  44    3.6055     5.4023     4.5058     7.1558     8.5087     7.3268 
   C  45    8.4126     6.7382     7.6080     5.1457     3.4641     4.9257 
   C  46    3.6055     5.3155     3.7520     6.3122     7.8965     7.1348 
   C  47    9.3612     7.7107     8.4803     5.9459     4.3589     5.9178 
   C  48    8.9948     7.5260     7.8305     5.1844     4.0000     5.9731 
   C  49    9.6281     8.0669     8.5811     5.9628     4.5826     6.3819 
   C  50    9.4327     8.0784     8.1263     5.4844     4.5826     6.6624 
   C  51    4.3588     5.7727     3.7219     5.8722     7.6363     7.3573 
   C  52    5.1961     6.6998     4.7034     6.8665     8.6356     8.3306 
   C  53    6.0828     7.4970     5.3986     7.3349     9.1479     9.0359 
   C  54    5.5678     6.6629     4.4304     5.9265     7.7635     7.9596 
   C  55    6.2450     7.4805     5.2818     6.9129     8.7483     8.8670 
   C  56    6.0001     6.8664     4.6240     5.6666     7.4914     7.9582 
   H  57    2.6210     0.8684     2.6101     2.5556     2.7026     1.1197 
   H  58    4.7261     3.4728     3.5324     0.9572     0.9856     2.6231 
   H  59    1.1527     0.6526     1.8622     3.2839     4.0194     2.5695 
   H  60    1.7225     0.6526     1.6549     2.5651     3.3349     2.1399 
   H  61    3.7934     3.3522     2.1058     1.1174     2.9537     3.6571 
   H  62    3.0734     2.9192     1.3270     1.6388     3.4116     3.6436 
   H  63    2.0319     0.6200     2.8184     3.6028     3.8460     1.9688 
   H  64    2.4220     0.6200     2.6778     2.9193     3.0746     1.3155 
   H  65    2.4220     2.6778     0.6200     2.3188     3.9790     3.8121 
   H  66    2.0319     2.8184     0.6200     3.0783     4.6794     4.2586 
   H  67    4.6202     3.5439     3.2704     0.6199     1.5080     2.9663 
   H  68    4.3426     3.5712     2.7909     0.6201     2.2821     3.4196 
   H  69    3.1632     1.3615     3.2921     2.9530     2.6563     0.6200 
   H  70    3.9152     2.1258     4.0797     3.4194     2.6638     0.6201 
   H  71    1.0529     1.5817     2.6778     4.4440     5.1051     3.4060 
   H  72    1.5817     1.0528     2.8184     4.1011     4.5245     2.6929 
   H  73    2.1498     0.5180     2.1705     2.5714     3.0263     1.6131 
   H  74    2.4840     0.7587     2.9693     3.3022     3.3505     1.4132 
   H  75    3.2600     1.4584     3.3789     2.9764     2.6171     0.5414 
   H  76    5.8207     4.0635     5.3625     3.4442     1.6818     2.1702 
   H  77    5.9070     4.2358     5.2045     2.9915     1.1539     2.4873 
   H  78    4.7705     2.9717     4.7926     3.6891     2.4873     1.1539 
   H  79    5.4017     3.6030     5.2116     3.6971     2.1702     1.6817 
   H  80    5.9898     4.6034     4.8394     2.2245     1.1766     3.3320 
   H  81    5.7497     4.5740     4.3987     1.7566     1.6200     3.6439 
   H  82    4.8945     3.6994     3.6258     0.9874     1.1766     2.8940 
   H  83    2.2602     3.6509     1.7814     4.3193     5.9145     5.3210 
   H  84    1.7814     3.5008     2.2603     4.9112     6.3181     5.3552 
   H  85    1.9293     3.4148     3.6079     5.9534     6.8816     5.2874 
   H  86    3.4601     5.0186     4.9742     7.4613     8.4723     6.8853 
   H  87    4.2216     5.9766     5.3227     7.9587     9.2267     7.9016 
   H  88    7.4995     5.8109     6.7584     4.3824     2.6215     3.9916 
   H  89    2.6781     4.3818     2.9099     5.5275     7.0456     6.2099 
   H  90    3.9271     5.7207     4.4937     7.1261     8.6060     7.6167 
   H  91    9.0756     7.3582     8.3619     5.9518     4.2216     5.4888 
   H  92    3.6199     4.9482     5.3015     7.6360     8.4674     6.7184 
   H  93    4.1712     5.8422     4.1439     6.6216     8.2685     7.6236 
   H  94    4.0023     5.7602     4.3193     6.9060     8.4622     7.6168 
   H  95   10.1753     8.5424     9.2422     6.6686     5.1500     6.7630 
   H  96    4.8707     6.5612     6.1170     8.7283     9.9140     8.4669 
   H  97    8.5121     7.1447     7.2403     4.5910     3.6500     5.7409 
   H  98    9.9288     8.4512     8.7560     6.1071     4.9267     6.8668 
   H  99    4.8211     6.6188     5.3823     8.0024     9.5053     8.5198 
   H 100    8.8113     7.0454     8.2718     6.0234     4.2100     5.1293 
   H 101    9.5465     8.2763     8.1564     5.5463     4.8384     6.9636 
   H 102    8.8478     7.5289     7.5178     4.8810     4.0630     6.1769 
   H 103   10.7006     9.0125     9.8771     7.3591     5.7415     7.1669 
   H 104    4.3442     5.9251     4.0602     6.4161     8.1218     7.6336 
   H 105   11.0226     9.4329     9.9965     7.3779     5.9770     7.6969 
   H 106    4.4802     6.0697     4.2102     6.5625     8.2707     7.7822 
   H 107   10.7454     9.4489     9.3606     6.7501     5.9770     8.0727 
   H 108    6.8609     8.2095     6.0569     7.8120     9.6436     9.6762 
   H 109    5.0767     6.0114     3.7645     5.0921     6.9298     7.2075 
   H 110    6.5017     7.5710     5.3301     6.6520     8.4868     8.8107 
   H 111    5.8808     7.5451     5.7551     8.1018     9.8200     9.3013 
   H 112    6.4872     7.2470     5.0241     5.8040     7.6010     8.2253 
   H 113    6.4872     7.4292     5.1826     6.2865     8.1109     8.5622 
   H 114    7.4715     8.9111     6.8111     8.6726    10.4984    10.4466 
   H 115    7.4071     8.4703     6.2267     7.4388     9.2646     9.6758 
   H 116    5.9770     6.4742     4.3386     4.7118     6.4738     7.2577 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32    1.8020     0.0000 
   C  33    1.8880     3.0119     0.0000 
   C  34    4.6683     5.4322     2.7879     0.0000 
   C  35    3.9752     5.0446     2.1148     1.0850     0.0000 
   C  36    5.0478     5.1145     3.4843     2.0151     2.8751     0.0000 
   C  37    5.5026     5.8370     3.7500     1.4784     2.5330     0.9999 
   C  38    2.6580     1.0000     4.0113     6.3936     6.0396     5.9240 
   C  39    2.5212     2.1252     4.3740     7.1031     6.4832     7.1207 
   C  40    3.2865     3.1246     5.1739     7.9449     7.2540     8.0752 
   C  41    4.2087     3.7461     6.0847     8.8303     8.1838     8.8246 
   C  42    7.0765     7.5478     5.2371     2.5137     3.5307     2.6457 
   C  43    3.9666     2.7943     5.6568     8.2151     7.7554     7.8438 
   C  44    4.4921     3.6132     6.2958     8.9530     8.4105     8.7196 
   C  45    7.7380     8.3596     5.8609     3.0731     3.9517     3.6055 
   C  46    4.6043     3.1353     6.1330     8.5246     8.1797     7.9172 
   C  47    8.7107     9.2665     6.8405     4.0561     4.9513     4.3589 
   C  48    8.5016     8.7194     6.7373     4.1485     5.2073     3.6055 
   C  49    9.0597     9.4309     7.2328     4.5095     5.5015     4.3589 
   C  50    9.0266     9.0610     7.3425     4.9086     5.9888     4.0000 
   C  51    5.3123     3.5504     6.4490     8.4370     8.3114     7.4387 
   C  52    6.1750     4.4581     7.4055     9.4358     9.2968     8.4260 
   C  53    7.0426     5.2818     8.1522    10.0110     9.9597     8.8406 
   C  54    6.4220     4.6240     7.1810     8.7005     8.7893     7.3475 
   C  55    7.1521     5.3526     8.0510     9.6721     9.7265     8.3457 
   C  56    6.7674     5.0134     7.2752     8.4871     8.6984     6.9627 
   H  57    1.8681     2.8893     0.1828     2.8013     2.1914     3.3883 
   H  58    4.3667     4.4048     2.8916     2.0587     2.6857     0.7124 
   H  59    0.5471     1.6550     1.5386     4.2609     3.6534     4.5247 
   H  60    1.2701     1.8622     1.1631     3.6706     3.1907     3.8014 
   H  61    3.8857     3.1053     3.2937     3.9342     4.2213     2.5904 
   H  62    3.2910     2.3257     3.0679     4.2863     4.3814     3.2302 
   H  63    1.0528     2.6778     1.0860     3.8223     3.0193     4.5440 
   H  64    1.5816     2.8184     0.3217     3.1057     2.3996     3.7765 
   H  65    2.8184     1.5816     3.0550     4.7516     4.6823     3.9241 
   H  66    2.6777     1.0528     3.3853     5.3866     5.2080     4.6812 
   H  67    4.3703     4.1958     3.0774     2.5773     3.1508     1.0256 
   H  68    4.2665     3.7713     3.2970     3.3277     3.7866     1.7854 
   H  69    2.2969     3.5328     0.5273     2.4872     1.6817     3.4871 
   H  70    3.0008     4.3276     1.3253     2.1702     1.1539     3.6097 
   H  71    0.6200     2.0319     2.4350     5.2226     4.4718     5.6660 
   H  72    0.6200     2.4220     1.7809     4.5430     3.7397     5.1719 
   H  73    1.4776     2.3972     0.6200     3.2375     2.6799     3.6121 
   H  74    1.5530     3.0034     0.6200     3.2734     2.4637     4.1005 
   H  75    2.3905     3.6284     0.6200     2.4150     1.5912     3.4645 
   H  76    5.0504     5.9436     3.1638     0.6200     1.1538     2.5529 
   H  77    5.2357     5.8946     3.3689     0.6200     1.6817     1.8504 
   H  78    3.8699     5.1297     2.1210     1.6818     0.6200     3.4863 
   H  79    4.5483     5.6620     2.7120     1.1539     0.6200     3.1465 
   H  80    5.5501     5.7089     3.8937     1.9434     2.9442     0.6199 
   H  81    5.4506     5.3336     3.9934     2.6177     3.4950     0.6200 
   H  82    4.5744     4.5270     3.1445     2.2612     2.9381     0.6201 
   H  83    3.1857     1.4157     4.3693     6.5843     6.3244     5.9237 
   H  84    2.7814     1.4158     4.3393     6.8438     6.4172     6.4826 
   H  85    2.4151     2.6306     4.2990     7.0831     6.3565     7.3377 
   H  86    4.0190     3.9744     5.9021     8.6869     7.9495     8.8945 
   H  87    5.0159     4.3857     6.8782     9.6005     8.9858     9.4979 
   H  88    6.8102     7.4786     4.9302     2.1425     3.0250     2.9278 
   H  89    3.6780     2.2182     5.2037     7.6349     7.2606     7.1251 
   H  90    4.8833     3.7143     6.5903     9.1424     8.6894     8.7199 
   H  91    8.3532     9.0791     6.4657     3.6976     4.4571     4.4353 
   H  92    3.9643     4.3149     5.7892     8.5684     7.7491     8.9816 
   H  93    5.1712     3.6250     6.6364     8.9457     8.6526     8.2250 
   H  94    4.9891     3.6392     6.6025     9.0604     8.6746     8.5096 
   H  95    9.5420    10.0513     7.6774     4.8972     5.8012     5.0668 
   H  96    5.5738     5.1528     7.4594    10.2213     9.5439    10.2399 
   H  97    8.0945     8.1624     6.4093     4.0158     5.1001     3.0777 
   H  98    9.4298     9.6502     7.6537     5.0208     6.0602     4.5357 
   H  99    5.7656     4.6198     7.4923    10.0491     9.5940     9.6009 
   H 100    8.0234     8.9129     6.1437     3.4817     4.0550     4.6200 
   H 101    9.2005     9.1142     7.5810     5.2755     6.3605     4.1527 
   H 102    8.4659     8.4580     6.8151     4.4786     5.5635     3.4239 
   H 103   10.0109    10.6450     8.1274     5.3429     6.1488     5.7744 
   H 104    5.3358     3.6794     6.6749     8.8558     8.6344     8.0085 
   H 105   10.4296    10.8424     8.5833     5.8229     6.7634     5.7745 
   H 106    5.4734     3.8247     6.8222     9.0057     8.7839     8.1540 
   H 107   10.3831    10.3188     8.7328     6.3241     7.4038     5.3371 
   H 108    7.8049     6.0240     8.8262    10.5497    10.5648     9.2635 
   H 109    5.8642     4.0956     6.4709     7.8801     8.0046     6.4995 
   H 110    7.3517     5.5554     8.0622     9.4580     9.6060     7.9995 
   H 111    6.8809     5.3154     8.3260    10.5545    10.3153     9.6872 
   H 112    7.2135     5.4918     7.5982     8.6264     8.9101     7.0024 
   H 113    7.2882     5.5133     7.8628     9.1069     9.3126     7.5758 
   H 114    8.4405     6.6906     9.5674    11.3854    11.3615    10.1431 
   H 115    8.2588     6.4625     8.9466    10.2578    10.4473     8.7269 
   H 116    6.5829     4.9815     6.7189     7.5185     7.8707     5.8332 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38    6.7070     0.0000 
   C  39    7.7488     1.8767     0.0000 
   C  40    8.6686     2.8109     0.9999     0.0000 
   C  41    9.4743     3.1900     1.7320     1.0001     0.0000 
   C  42    1.7320     8.4322     9.4102    10.3054    11.1411     0.0000 
   C  43    8.6123     1.9216     1.7320     2.0000     1.7321    10.3316 
   C  44    9.4485     2.8411     2.0000     1.7321     1.0000    11.1532 
   C  45    2.6458     9.2733    10.1436    11.0064    11.8750     1.0000 
   C  46    8.7569     2.1420     2.6457     3.0001     2.6458    10.4887 
   C  47    3.4641    10.1598    11.0932    11.9690    12.8253     1.7321 
   C  48    3.0000     9.5218    10.7025    11.6405    12.4170     1.7321 
   C  49    3.6056    10.2741    11.3528    12.2654    13.0795     2.0001 
   C  50    3.6056     9.7980    11.1073    12.0699    12.7971     2.6458 
   C  51    8.3721     2.6654     3.9999     4.5826     4.3589    10.0812 
   C  52    9.3652     3.5184     4.5825     5.0000     4.5825    11.0704 
   C  53    9.8092     4.3904     5.5678     6.0001     5.5678    11.4815 
   C  54    8.3368     3.9523     5.5678     6.2450     6.0828     9.9625 
   C  55    9.3337     4.5712     6.0000     6.5574     6.2450    10.9623 
   C  56    7.9624     4.4991     6.2451     7.0001     6.9283     9.5184 
   H  57    3.6986     3.8893     4.3228     5.1447     6.0418     5.2207 
   H  58    1.5435     5.2257     6.4088     7.3650     8.1123     3.2663 
   H  59    5.0155     2.6132     2.8475     3.6913     4.5704     6.6210 
   H  60    4.3242     2.8619     3.4546     4.3485     5.1866     5.9601 
   H  61    3.5520     3.6717     5.2304     6.2300     6.8063     5.2361 
   H  62    4.1386     2.8751     4.4476     5.4475     6.0096     5.8576 
   H  63    4.8358     3.6180     3.5524     4.2535     5.2067     6.3021 
   H  64    4.0667     3.8123     4.0836     4.8678     5.7867     5.5588 
   H  65    4.7848     2.0903     3.6868     4.6857     5.2267     6.5155 
   H  66    5.5195     1.3294     3.0305     4.0193     4.4988     7.2515 
   H  67    1.9820     4.9561     6.2573     7.2326     7.9349     3.6688 
   H  68    2.7678     4.4272     5.8849     6.8783     7.5104     4.4257 
   H  69    3.6096     4.5312     4.8126     5.5723     6.5052     4.9872 
   H  70    3.5076     5.3248     5.5204     6.2294     7.1848     4.6673 
   H  71    6.1050     2.7218     2.1459     2.7945     3.7551     7.6583 
   H  72    5.5204     3.2639     2.9140     3.5581     4.5256     7.0147 
   H  73    4.0260     3.3972     3.8666     4.7150     5.5927     5.6054 
   H  74    4.3301     3.9806     4.0730     4.7999     5.7452     5.7628 
   H  75    3.5615     4.6270     4.9074     5.6636     6.5983     4.9195 
   H  76    1.8502     6.9187     7.5292     8.3369     9.2464     2.4338 
   H  77    1.0570     6.8346     7.6372     8.4989     9.3681     1.8964 
   H  78    3.1463     6.1297     6.3907     7.1015     8.0575     4.0444 
   H  79    2.6127     6.6579     7.0649     7.8138     8.7549     3.2967 
   H  80    0.5573     6.5329     7.6905     8.6349     9.4027     2.0403 
   H  81    1.4158     6.0766     7.3959     8.3692     9.0741     2.8292 
   H  82    1.5679     5.3175     6.5598     7.5248     8.2526     3.2567 
   H  83    6.7639     0.6200     2.4338     3.3168     3.5691     8.4959 
   H  84    7.2368     0.6200     1.3758     2.2439     2.5714     8.9540 
   H  85    7.8759     2.6236     0.8500     0.9340     1.9294     9.4812 
   H  86    9.4634     3.6327     1.8500     0.8500     0.9341    11.0805 
   H  87   10.1861     3.6989     2.5044     1.8500     0.8499    11.8713 
   H  88    1.9294     8.4077     9.2289    10.0832    10.9591     0.8500 
   H  89    7.9313     1.2420     1.9294     2.5343     2.5045     9.6598 
   H  90    9.5095     2.8027     2.5342     2.5045     1.8500    11.2337 
   H  91    3.4601    10.0112    10.8007    11.6365    12.5277     1.8500 
   H  92    9.4669     4.1647     2.2900     1.4157     1.8397    11.0227 
   H  93    9.0968     2.6252     3.2656     3.5889     3.1512    10.8277 
   H  94    9.3363     2.6672     2.8113     2.9561     2.4060    11.0669 
   H  95    4.2217    10.9288    11.9070    12.7919    13.6387     2.5046 
   H  96   10.8881     4.5376     3.1407     2.2901     1.4157    12.5503 
   H  97    2.6781     8.9207    10.1945    11.1524    11.8911     1.9294 
   H  98    3.9272    10.4458    11.6366    12.5744    13.3507     2.5343 
   H  99   10.4024     3.6967     3.3532     3.1408     2.2900    12.1287 
   H 100    3.6200     9.8750    10.5158    11.3068    12.2281     2.2901 
   H 101    3.8981     9.8053    11.1917    12.1673    12.8598     3.1512 
   H 102    3.1102     9.1859    10.5135    11.4804    12.1977     2.4060 
   H 103    4.8708    11.5507    12.4310    13.2866    14.1617     3.1408 
   H 104    8.9108     2.7017     3.6500     4.0771     3.7112    10.6352 
   H 105    5.0105    11.6894    12.7503    13.6545    14.4790     3.3534 
   H 106    9.0579     2.8444     3.7513     4.1500     3.7513    10.7818 
   H 107    5.0105    11.0073    12.3950    13.3693    14.0644     4.0131 
   H 108   10.2483     5.1680     6.4088     6.8500     6.4088    11.8859 
   H 109    7.4901     3.5651     5.3219     6.0969     6.0723     9.1126 
   H 110    8.9974     4.8832     6.4670     7.1079     6.8828    10.5755 
   H 111   10.5999     4.3190     4.8707     5.0105     4.3433    12.3208 
   H 112    8.0006     5.0389     6.8165     7.5914     7.5396     9.4986 
   H 113    8.5757     4.9306     6.6108     7.3136     7.1640    10.1217 
   H 114   11.1237     5.7835     6.8428     7.1725     6.6199    12.7717 
   H 115    9.7268     5.7811     7.3297     7.9351     7.6541    11.2625 
   H 116    6.8282     4.7388     6.6019     7.4716     7.5792     8.3029 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44    1.0000     0.0000 
   C  45   11.1531    11.9432     0.0000 
   C  46    1.0000     1.7321    11.3585     0.0000 
   C  47   12.0547    12.8653     1.0000    12.2206     0.0000 
   C  48   11.4431    12.3249     2.0000    11.4746     1.7320     0.0000 
   C  49   12.1899    13.0441     1.7321    12.2747     1.0000     1.0000 
   C  50   11.7143    12.6307     3.0000    11.6616     2.6457     1.0000 
   C  51    2.6457     3.4640    11.0178     1.7320    11.7971    10.8365 
   C  52    2.9999     3.6054    12.0110     1.9999    12.7827    11.7945 
   C  53    4.0000     4.5826    12.4455     3.0000    13.1692    12.0761 
   C  54    4.3589     5.1961    10.9439     3.4640    11.6190    10.4497 
   C  55    4.5826     5.2914    11.9433     3.6055    12.6186    11.4401 
   C  56    5.1962     6.0828    10.5129     4.3589    11.1265     9.8609 
   H  57    5.5652     6.2253     5.8699     6.0185     6.8434     6.6938 
   H  58    7.1434     8.0125     4.1886     7.2401     4.9955     4.3146 
   H  59    4.1369     4.7573     7.3159     4.6752     8.2778     8.0097 
   H  60    4.5759     5.2835     6.6912     4.9953     7.6387     7.3095 
   H  61    5.5611     6.5101     6.1907     5.4756     6.9438     6.0245 
   H  62    4.7713     5.7149     6.7828     4.7233     7.5826     6.7524 
   H  63    5.0178     5.5365     6.8888     5.6321     7.8772     7.8209 
   H  64    5.4070     6.0212     6.1788     5.9165     7.1598     7.0565 
   H  65    3.9940     4.9311     7.4127     3.9936     8.2468     7.4886 
   H  66    3.2221     4.1656     8.1325     3.2396     8.9836     8.2565 
   H  67    6.8775     7.7754     4.6192     6.9134     5.3844     4.5708 
   H  68    6.3355     7.2676     5.3908     6.2890     6.1249     5.1980 
   H  69    6.1484     6.7596     5.5446     6.6467     6.5358     6.5536 
   H  70    6.9118     7.4903     5.1047     7.4335     6.1046     6.3187 
   H  71    3.7392     4.1457     8.2957     4.4797     9.2752     9.1050 
   H  72    4.4679     4.9124     7.6115     5.1588     8.5988     8.5140 
   H  73    5.0755     5.7483     6.2916     5.5249     7.2549     7.0257 
   H  74    5.4839     6.0435     6.3362     6.0490     7.3260     7.3021 
   H  75    6.2455     6.8558     5.4667     6.7432     6.4591     6.4954 
   H  76    8.7095     9.4165     2.7981     9.0570     3.7979     4.1482 
   H  77    8.6875     9.4541     2.5079     8.9494     3.4750     3.5319 
   H  78    7.7608     8.3559     4.3708     8.2539     5.3681     5.7479 
   H  79    8.3635     9.0051     3.5770     8.7973     4.5729     5.0175 
   H  80    8.4510     9.3187     3.0148     8.5351     3.7437     3.0148 
   H  81    7.9963     8.9043     3.8242     7.9930     4.4727     3.4849 
   H  82    7.2386     8.1235     4.2048     7.2995     4.9753     4.2047 
   H  83    2.0784     3.0655     9.3724     1.9946    10.2279     9.4899 
   H  84    1.3794     2.2462     9.7737     1.8266    10.6760    10.0863 
   H  85    2.5045     2.5343    10.1530     3.4602    11.1246    10.8652 
   H  86    2.5343     1.9295    11.7569     3.5033    12.7280    12.4454 
   H  87    1.9293     0.9341    12.6285     2.6215    13.5684    13.1008 
   H  88   10.2728    11.0467     0.9341    10.5099     1.9294     2.5045 
   H  89    0.8500     1.8500    10.5096     0.9341    11.3893    10.7100 
   H  90    0.9340     0.8500    12.0662     1.0828    12.9599    12.3101 
   H  91   11.8727    12.6379     0.8499    12.1135     0.9341     2.5342 
   H  92    3.3533     2.8293    11.6385     4.3434    12.6245    12.4658 
   H  93    1.5967     2.1828    11.7194     0.6199    12.5590    11.7434 
   H  94    1.0812     1.4156    11.9261     0.6200    12.7980    12.0764 
   H  95   12.8326    13.6577     1.8500    12.9690     0.8501     1.9294 
   H  96    2.8292     1.8397    13.2744     3.5192    14.2293    13.8327 
   H  97   10.8405    11.7459     2.5343    10.8207     2.5045     0.8500 
   H  98   12.3674    13.2536     2.5045    12.3842     1.8500     0.9341 
   H  99    1.8396     1.4157    12.9670     1.7732    13.8565    13.1830 
   H 100   11.6910    12.4073     1.4158    12.0039     1.8397     3.3533 
   H 101   11.7100    12.6457     3.5889    11.6045     3.2657     1.5968 
   H 102   11.1008    12.0206     2.9561    11.0426     2.8113     1.0812 
   H 103   13.4373    14.2326     2.2900    13.6225     1.4158     2.8292 
   H 104    2.0791     2.7609    11.5488     1.0828    12.3617    11.4768 
   H 105   13.6046    14.4555     2.8292    13.6895     1.8397     2.2901 
   H 106    2.1500     2.7878    11.6965     1.1499    12.5079    11.6177 
   H 107   12.9099    13.8481     4.2100    12.7917     3.6200     2.2901 
   H 108    4.8500     5.4196    12.8645     3.8500    13.5471    12.3741 
   H 109    4.3443     5.2652    10.0945     3.5668    10.7693     9.6093 
   H 110    5.1790     5.9600    11.5674     4.2393    12.1955    10.9423 
   H 111    3.1407     3.3532    13.2409     2.2901    14.0444    13.1200 
   H 112    5.8077     6.7003    10.4977     4.9779    11.0651     9.7322 
   H 113    5.4395     6.2748    11.1176     4.5429    11.7199    10.4313 
   H 114    5.1927     5.6199    13.7468     4.2100    14.4394    13.2779 
   H 115    5.9770     6.7056    12.2596     5.0104    12.8482    11.5303 
   H 116    5.8809     6.8428     9.3026     5.1927     9.8617     8.5305 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50    1.7320     0.0000 
   C  51   11.7129    10.8835     0.0000 
   C  52   12.6816    11.8125     1.0000     0.0000 
   C  53   12.9962    12.0127     1.7321     1.0001     0.0000 
   C  54   11.3892    10.3398     1.7321     2.0000     1.7320     0.0000 
   C  55   12.3833    11.3134     2.0000     1.7321     1.0000     1.0000 
   C  56   10.8240     9.6746     2.6458     3.0001     2.6458     1.0001 
   H  57    7.2117     7.2790     6.3001     7.2612     7.9986     7.0115 
   H  58    5.0489     4.7066     6.8293     7.8233     8.2823     6.8455 
   H  59    8.5930     8.5131     5.2041     6.1110     6.9346     6.1894 
   H  60    7.9170     7.7948     5.2907     6.2436     6.9998     6.0853 
   H  61    6.8704     6.1872     4.8563     5.8391     6.2572     4.8151 
   H  62    7.5691     6.9564     4.2379     5.2345     5.7398     4.4284 
   H  63    8.3010     8.4276     6.2281     7.1278     7.9593     7.2013 
   H  64    7.5546     7.6553     6.3051     7.2487     8.0196     7.1066 
   H  65    8.2811     7.7231     3.6855     4.6845     5.2861     4.1493 
   H  66    9.0400     8.4962     3.1044     4.0892     4.7787     3.8445 
   H  67    5.3638     4.8652     6.4135     7.4017     7.8282     6.3617 
   H  68    6.0410     5.3851     5.6819     6.6617     7.0563     5.5694 
   H  69    6.9872     7.2149     6.9759     7.9328     8.6779     7.6909 
   H  70    6.6483     7.0611     7.7724     8.7307     9.4716     8.4596 
   H  71    9.6473     9.6407     5.3804     6.1838     7.0941     6.6205 
   H  72    9.0120     9.0976     5.9241     6.7760     7.6529     7.0411 
   H  73    7.5844     7.5663     5.8315     6.7862     7.5377     6.5946 
   H  74    7.7627     7.9315     6.5312     7.4581     8.2548     7.3975 
   H  75    6.9191     7.1655     7.0669     8.0250     8.7674     7.7725 
   H  76    4.3719     4.9896     9.0215    10.0190    10.6093     9.3139 
   H  77    3.8947     4.3090     8.7639     9.7638    10.2934     8.9174 
   H  78    5.9820     6.5579     8.5108     9.4828    10.1894     9.0962 
   H  79    5.2060     5.8623     8.9272     9.9138    10.5703     9.3806 
   H  80    3.7437     3.4769     8.0535     9.0392     9.4412     7.9291 
   H  81    4.3319     3.7289     7.3817     8.3536     8.7024     7.1479 
   H  82    4.9754     4.5475     6.8246     7.8138     8.2428     6.7727 
   H  83   10.2820     9.7040     2.1354     3.0491     3.8674     3.3379 
   H  84   10.8205    10.3846     2.7618     3.4934     4.4315     4.2331 
   H  85   11.4562    11.3375     4.8500     5.4196     6.4088     6.4088 
   H  86   13.0512    12.8927     5.1790     5.4747     6.4671     6.8828 
   H  87   13.7906    13.4427     4.3442     4.3785     5.3218     6.0722 
   H  88    2.5343     3.4601    10.2414    11.2390    11.7152    10.2624 
   H  89   11.4824    10.9467     2.0790     2.6781     3.6500     3.7111 
   H  90   13.0742    12.5504     2.7608     2.7878     3.7513     4.4802 
   H  91    1.9294     3.5032    11.8219    12.8176    13.2691    11.7805 
   H  92   13.0135    12.9757     5.9769     6.3327     7.3297     7.6540 
   H  93   12.5703    11.8824     1.4156     1.4332     2.4267     3.1022 
   H  94   12.8683    12.2737     2.1828     2.1942     3.1671     3.8917 
   H  95    0.9341     2.6215    12.4843    13.4624    13.8115    12.2278 
   H  96   14.4928    14.2096     5.2330     5.2100     6.1257     6.9559 
   H  97    1.8501     0.9341    10.1098    11.0557    11.3048     9.6607 
   H  98    0.8500     1.0828    11.7081    12.6572    12.9083    11.2603 
   H  99   13.9581    13.4022     3.2069     2.9435     3.7979     4.8398 
   H 100    2.8292     4.3433    11.8426    12.8424    13.3546    11.9332 
   H 101    2.3451     0.6200    10.7432    11.6510    11.8020    10.1078 
   H 102    2.0295     0.6200    10.2657    11.1967    11.4053     9.7382 
   H 103    1.8396     3.5191    13.2128    14.1985    14.5812    13.0225 
   H 104   12.3282    11.5710     0.8499     0.9340     1.9294     2.5044 
   H 105    1.4158     2.6200    13.1090    14.0728    14.3654    12.7394 
   H 106   12.4712    11.7070     0.9341     0.8500     1.8501     2.5343 
   H 107    2.6200     1.4158    11.8949    12.7889    12.9043    11.1959 
   H 108   13.3168    12.2447     2.5045     1.8501     0.8500     1.9293 
   H 109   10.5451     9.5164     1.9294     2.5343     2.5046     0.8501 
   H 110   11.9036    10.7564     2.5343     2.5045     1.8500     0.9341 
   H 111   13.9877    13.1736     2.2901     1.4158     1.8397     3.3533 
   H 112   10.7095     9.4855     3.2657     3.5889     3.1512     1.5968 
   H 113   11.4002    10.2186     2.8114     2.9562     2.4060     1.0813 
   H 114   14.2184    13.1518     3.1408     2.2901     1.4157     2.8291 
   H 115   12.5061    11.2815     3.3534     3.1409     2.2901     1.8397 
   H 116    9.5063     8.2997     3.6200     4.2101     4.0131     2.2901 

              C  55      C  56      H  57      H  58      H  59      H  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56    1.7321     0.0000 
   H  57    7.8864     7.0978     0.0000 
   H  58    7.8374     6.5337     2.7773     0.0000 
   H  59    6.9693     6.4646     1.4761     3.8369     0.0000 
   H  60    6.9297     6.2494     1.0292     3.1101     0.7291     0.0000 
   H  61    5.8049     4.5529     3.1152     2.0338     3.3581     2.7348 
   H  62    5.3898     4.3261     2.8851     2.5951     2.7947     2.2694 
   H  63    7.9922     7.4422     1.1571     3.9217     1.0262     1.2716 
   H  64    7.9557     7.2446     0.3894     3.1664     1.2715     1.0263 
   H  65    5.0575     4.2252     2.8801     3.2539     2.3887     2.0401 
   H  66    4.6759     4.0999     3.2264     4.0007     2.3680     2.2538 
   H  67    7.3569     6.0262     2.9408     0.5225     3.8275     3.1002 
   H  68    6.5659     5.2285     3.1347     1.3077     3.7209     3.0256 
   H  69    8.5683     7.7628     0.6822     2.9672     2.0134     1.6900 
   H  70    9.3477     8.4990     1.4730     3.2175     2.7768     2.4882 
   H  71    7.2884     7.0446     2.4379     4.9863     1.1614     1.8886 
   H  72    7.7716     7.3762     1.8219     4.5226     0.9805     1.5737 
   H  73    7.4522     6.7236     0.4939     2.9552     1.0245     0.5431 
   H  74    8.2274     7.5679     0.7505     3.5116     1.3747     1.3196 
   H  75    8.6529     7.8369     0.7692     2.9594     2.1104     1.7831 
   H  76   10.2830     9.1067     3.2064     2.6648     4.6821     4.1391 
   H  77    9.9019     8.6379     3.3684     2.1081     4.8081     4.1873 
   H  78   10.0116     9.0636     2.2414     3.2587     3.6243     3.2705 
   H  79   10.3241     9.2656     2.7984     3.0813     4.2490     3.8057 
   H  80    8.9285     7.5134     3.8179     1.3077     5.0395     4.3255 
   H  81    8.1478     6.6892     3.8824     1.1064     4.9145     4.1855 
   H  82    7.7685     6.4246     3.0253     0.2710     4.0393     3.3105 
   H  83    3.9848     3.8813     4.2314     5.2455     3.0705     3.2063 
   H  84    4.7429     4.8761     4.2355     5.7785     2.8554     3.2275 
   H  85    6.8500     7.0657     4.2831     6.6341     2.8633     3.5558 
   H  86    7.1079     7.6860     5.8870     8.1861     4.4597     5.1393 
   H  87    6.0968     6.9802     6.8267     8.7869     5.3509     5.9384 
   H  88   11.2582     9.8903     4.9425     3.4330     6.3947     5.7807 
   H  89    4.0770     4.4803     5.0920     6.4346     3.7411     4.0721 
   H  90    4.4969     5.4058     6.4992     8.0253     5.0681     5.5090 
   H  91   12.7794    11.3589     6.4921     4.9960     7.9577     7.3624 
   H  92    7.9350     8.4158     5.8023     8.2851     4.4640     5.1812 
   H  93    3.1102     4.0508     6.5139     7.5648     5.2108     5.4856 
   H  94    3.8981     4.8281     6.4973     7.8273     5.1116     5.4840 
   H  95   13.2250    11.6902     7.6762     5.7295     9.1020     8.4536 
   H  96    6.9386     7.8744     7.4250     9.5276     5.9609     6.5921 
   H  97   10.6465     9.0486     6.3450     3.7874     7.5826     6.8659 
   H  98   12.2441    10.6342     7.6144     5.2459     8.9404     8.2420 
   H  99    4.6695     5.8142     7.4032     8.9101     5.9664     6.4155 
   H 100   12.9260    11.5817     6.1942     5.0887     7.6703     7.1275 
   H 101   11.0679     9.4009     7.5044     4.8404     8.6754     7.9499 
   H 102   10.7151     9.0864     6.7438     4.1246     7.9468     7.2250 
   H 103   14.0216    12.5131     8.1443     6.4070     9.5984     8.9799 
   H 104    2.5342     3.4601     6.5406     7.3694     5.3146     5.5131 
   H 105   13.7291    12.1414     8.5716     6.4645     9.9734     9.3067 
   H 106    2.5045     3.5033     6.6884     7.5162     5.4576     5.6606 
   H 107   12.1415    10.4520     8.6633     6.0316     9.8617     9.1381 
   H 108    0.9340     2.6216     8.6668     8.7437     7.6676     7.6865 
   H 109    1.8501     0.9341     6.2971     6.0044     5.5820     5.4093 
   H 110    0.8500     1.0828     7.8900     7.5433     7.1100     6.9831 
   H 111    2.8292     4.3434     8.1984     9.0571     6.9173     7.1692 
   H 112    2.1829     0.6199     7.4181     6.6267     6.8817     6.6160 
   H 113    1.4157     0.6199     7.6866     7.1522     7.0069     6.8204 
   H 114    1.8396     3.5191     9.4133     9.6108     8.3447     8.4155 
   H 115    1.4158     1.7732     8.7730     8.3063     8.0148     7.8775 
   H 116    3.1408     1.4157     6.5363     5.4920     6.1897     5.8260 

              H  61      H  62      H  63      H  64      H  65      H  66
              ------------------------------------------------------------------
   H  61    0.0000 
   H  62    0.7983     0.0000 
   H  63    3.9600     3.5392     0.0000 
   H  64    3.4139     3.1154     0.7731     0.0000 
   H  65    1.5847     0.7864     3.2799     3.0201     0.0000 
   H  66    2.3445     1.5504     3.3641     3.2799     0.7731     0.0000 
   H  67    1.5715     2.2090     4.0472     3.3223     2.9211     3.6864 
   H  68    0.8294     1.5715     4.1386     3.4863     2.3415     3.1139 
   H  69    3.6600     3.5111     1.3493     0.7418     3.5533     3.9079 
   H  70    4.2604     4.2055     1.9781     1.5171     4.3127     4.6975 
   H  71    4.4531     3.8202     1.4597     2.1172     3.2800     3.0201 
   H  72    4.2985     3.7680     0.7240     1.4597     3.3642     3.2799 
   H  73    2.9537     2.6096     1.0356     0.5216     2.4988     2.7793 
   H  74    3.8021     3.4861     0.5567     0.3904     3.3510     3.5565 
   H  75    3.7069     3.5753     1.4335     0.8389     3.6319     3.9956 
   H  76    4.5539     4.8944     4.1372     3.4695     5.3382     5.9540 
   H  77    4.1069     4.5539     4.4196     3.6893     5.0895     5.7641 
   H  78    4.6610     4.7379     2.8508     2.3539     4.9542     5.4125 
   H  79    4.7561     4.9616     3.5633     2.9851     5.2886     5.8247 
   H  80    3.2007     3.8498     4.9729     4.1999     4.5426     5.2979 
   H  81    2.5427     3.2696     5.0281     4.2717     4.0166     4.7882 
   H  82    1.9861     2.6105     4.1633     3.4136     3.3060     4.0654 
   H  83    3.5212     2.7489     4.0933     4.2023     2.0023     1.2450 
   H  84    4.2816     3.4837     3.8056     4.1088     2.6974     1.9446 
   H  85    5.6817     4.9285     3.3437     3.9867     4.2091     3.6346 
   H  86    7.0797     6.2975     4.9313     5.5888     5.5352     4.8634 
   H  87    7.3677     6.5697     6.0288     6.5863     5.7834     5.0282 
   H  88    5.4636     6.0049     5.9550     5.2474     6.5987     7.3003 
   H  89    4.7709     3.9909     4.7009     4.9840     3.2271     2.4553 
   H  90    6.3720     5.5943     5.9360     6.3389     4.8307     4.0585 
   H  91    7.0119     7.5841     7.4569     6.7775     8.1940     8.9010 
   H  92    7.3813     6.6249     4.7506     5.4683     5.8965     5.2903 
   H  93    5.7203     5.0012     6.1866     6.4336     4.3123     3.5891 
   H  94    6.0866     5.3286     6.0334     6.3707     4.5897     3.8284 
   H  95    7.6288     8.2967     8.7194     7.9974     8.9825     9.7294 
   H  96    8.1892     7.3911     6.5420     7.1554     6.6054     5.8623 
   H  97    5.3475     6.1014     7.4941     6.7217     6.8579     7.6304 
   H  98    6.9219     7.6608     8.7353     7.9738     8.4042     9.1738 
   H  99    7.2161     6.4484     6.8183     7.2378     5.6956     4.9266 
   H 100    7.1222     7.6215     7.0726     6.4424     8.1703     8.8401 
   H 101    6.1529     6.9388     8.6602     7.8873     7.7176     8.4882 
   H 102    5.5688     6.3399     7.8973     7.1242     7.1084     7.8815 
   H 103    8.3595     8.9965     9.1357     8.4425     9.6555    10.3882 
   H 104    5.4583     4.7794     6.3178     6.4956     4.1430     3.4692 
   H 105    8.2754     8.9808     9.6396     8.9047     9.6959    10.4555 
   H 106    5.6009     4.9254     6.4589     6.6417     4.2918     3.6191 
   H 107    7.3505     8.1386     9.8160     9.0429     8.9188     9.6886 
   H 108    6.7099     6.2634     8.6939     8.7115     5.8833     5.4410 
   H 109    3.9776     3.6275     6.5740     6.4191     3.4178     3.2141 
   H 110    5.5346     5.2261     8.1176     7.9999     5.0141     4.7552 
   H 111    7.1200     6.4632     7.8965     8.1313     5.8411     5.1682 
   H 112    4.7087     4.5821     7.8367     7.5902     4.5769     4.5358 
   H 113    5.1728     4.9366     7.9962     7.8233     4.8086     4.6389 
   H 114    7.5778     7.1026     9.3684     9.4353     6.6819     6.1914 
   H 115    6.3242     6.0667     9.0205     8.8913     5.8936     5.6569 
   H 116    3.6495     3.6530     7.0837     6.7488     3.8091     3.9506 

              H  67      H  68      H  69      H  70      H  71      H  72
              ------------------------------------------------------------------
   H  67    0.0000 
   H  68    0.7983     0.0000 
   H  69    3.2327     3.5624     0.0000 
   H  70    3.5781     4.0395     0.7983     0.0000 
   H  71    4.9885     4.8676     2.7922     3.4349     0.0000 
   H  72    4.5951     4.5907     2.0732     2.6759     0.7732     0.0000 
   H  73    3.0363     3.1031     1.1469     1.9451     2.0801     1.5681 
   H  74    3.6902     3.8737     0.7932     1.4478     2.0099     1.2803 
   H  75    3.2389     3.5889     0.0972     0.7057     2.8810     2.1570 
   H  76    3.1859     3.9439     2.7883     2.3066     5.5751     4.8610 
   H  77    2.6252     3.4158     3.0943     2.7883     5.8020     5.1372 
   H  78    3.7027     4.2947     1.6133     0.8727     4.3072     3.5463 
   H  79    3.5766     4.2638     2.2523     1.6134     5.0225     4.2751 
   H  80    1.6432     2.3860     3.8257     3.8289     6.1638     5.6294 
   H  81    1.1394     1.7143     4.0408     4.2087     6.0706     5.6253 
   H  82    0.4146     1.2043     3.2330     3.4882     5.1944     4.7513 
   H  83    4.9234     4.3201     4.8958     5.6941     3.3054     3.8017 
   H  84    5.5306     5.0259     4.8449     5.6248     2.7042     3.3481 
   H  85    6.5464     6.2652     4.6759     5.3137     1.8852     2.6382 
   H  86    8.0664     7.7242     6.2713     6.8890     3.4794     4.2162 
   H  87    8.5783     8.1060     7.3119     8.0053     4.5848     5.3572 
   H  88    3.9015     4.6933     4.6105     4.1789     7.3646     6.6778 
   H  89    6.1392     5.5617     5.7156     6.5011     3.5819     4.2416 
   H  90    7.7395     7.1653     7.0805     7.8414     4.6241     5.3672 
   H  91    5.4410     6.2198     6.1077     5.5913     8.8901     8.1807 
   H  92    8.2217     7.9614     6.0984     6.6416     3.3667     4.0272 
   H  93    7.2087     6.5454     7.1557     7.9482     5.0738     5.7378 
   H  94    7.5107     6.8969     7.1078     7.8856     4.7997     5.5137 
   H  95    6.0886     6.8023     7.3802     6.9545    10.1109     9.4401 
   H  96    9.3460     8.9078     7.8623     8.5159     5.0824     5.8415 
   H  97    3.9711     4.5320     6.2875     6.1535     8.7080     8.1635 
   H  98    5.4912     6.0990     7.4553     7.1879    10.0313     9.4326 
   H  99    8.6127     8.0195     7.9796     8.7363     5.4786     6.2321 
   H 100    5.5738     6.3702     5.7361     5.1379     8.5268     7.7905 
   H 101    4.9350     5.3781     7.4927     7.3972     9.8187     9.3109 
   H 102    4.2630     4.7690     6.7127     6.6038     9.0822     8.5568 
   H 103    6.7999     7.5401     7.7868     7.2878    10.5590     9.8597 
   H 104    6.9849     6.2877     7.2002     7.9977     5.3053     5.9255 
   H 105    6.7774     7.4461     8.3101     7.9172    11.0095    10.3565 
   H 106    7.1300     6.4304     7.3473     8.1447     5.4350     6.0609 
   H 107    6.1377     6.5805     8.6196     8.4765    11.0001    10.4770 
   H 108    8.2688     7.4810     9.3486    10.1362     7.8849     8.4197 
   H 109    5.5172     4.7233     6.9711     7.7261     6.1241     6.4770 
   H 110    7.0436     6.2454     8.5663     9.3258     7.5544     7.9703 
   H 111    8.6620     7.9487     8.8481     9.6430     6.7698     7.4443 
   H 112    6.1095     5.3201     8.0707     8.7850     7.5224     7.8143 
   H 113    6.6438     5.8465     8.3551     9.0975     7.5375     7.9018 
   H 114    9.1423     8.3585    10.0930    10.8862     8.4696     9.0473 
   H 115    7.7977     7.0005     9.4469    10.2001     8.4596     8.8774 
   H 116    4.9709     4.1936     7.1629     7.8395     6.9679     7.1559 

              H  73      H  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   H  73    0.0000 
   H  74    0.8768     0.0000 
   H  75    1.2400     0.8768     0.0000 
   H  76    3.6710     3.5806     2.7040     0.0000 
   H  77    3.7839     3.8751     3.0249     0.7983     0.0000 
   H  78    2.7326     2.3178     1.5162     1.6134     2.2524     0.0000 
   H  79    3.2896     3.0140     2.1580     0.8728     1.6134     0.7983 
   H  80    4.0901     4.4974     3.7897     2.3768     1.5963     3.5641 
   H  81    4.0573     4.6132     4.0251     3.1319     2.3929     4.1058 
   H  82    3.1833     3.7642     3.2267     2.8556     2.2514     3.5177 
   H  83    3.7493     4.4095     4.9893     7.1361     6.9849     6.4669 
   H  84    3.7422     4.2269     4.9420     7.3469     7.3103     6.4571 
   H  85    3.8759     3.8951     4.7654     7.4540     7.6499     6.1845 
   H  86    5.4767     5.4859     6.3596     9.0538     9.2534     7.7561 
   H  87    6.3671     6.5614     7.4060    10.0330    10.1257     8.8776 
   H  88    5.3702     5.4022     4.5326     1.8736     1.5938     3.4652 
   H  89    4.5981     5.1149     5.8123     8.1568     8.0761     7.3245 
   H  90    6.0095     6.4098     7.1776     9.6406     9.6088     8.6924 
   H  91    6.9349     6.9004     6.0239     3.3199     3.1861     4.7968 
   H  92    5.4412     5.3053     6.1800     8.8825     9.1574     7.4903 
   H  93    6.0221     6.5851     7.2517     9.4932     9.3464     8.7547 
   H  94    6.0037     6.4771     7.2049     9.5811     9.4999     8.7203 
   H  95    8.0809     8.1694     7.3044     4.6479     4.3089     6.2165 
   H  96    6.9852     7.0896     7.9537    10.6232    10.7665     9.3874 
   H  97    6.6328     6.9998     6.2396     4.1425     3.4290     5.6813 
   H  98    7.9530     8.2116     7.3943     4.9670     4.4010     6.5786 
   H  99    6.9142     7.3004     8.0767    10.5477    10.5135     9.5902 
   H 100    6.6619     6.5180     5.6462     2.9910     3.0808     4.2968 
   H 101    7.7598     8.1827     7.4498     5.4132     4.6953     6.9465 
   H 102    7.0142     7.4122     6.6679     4.6205     3.8986     6.1496 
   H 103    8.5739     8.5800     7.7049     5.0043     4.7938     6.4968 
   H 104    6.0554     6.6792     7.2945     9.4210     9.2249     8.7783 
   H 105    8.9587     9.0944     8.2375     5.6138     5.2200     7.1989 
   H 106    6.2029     6.8233     7.4417     9.5710     9.3744     8.9266 
   H 107    8.9339     9.3275     8.5720     6.3940     5.7232     7.9701 
   H 108    8.2182     8.9640     9.4358    11.1569    10.7960    10.8263 
   H 109    5.9010     6.7285     7.0493     8.4957     8.0835     8.3334 
   H 110    7.4845     8.2994     8.6457    10.0756     9.6384     9.9373 
   H 111    7.7090     8.2909     8.9435    11.1174    10.9248    10.4396 
   H 112    7.0687     7.9275     8.1404     9.2461     8.7344     9.3067 
   H 113    7.3033     8.1399     8.4307     9.7265     9.2570     9.6723 
   H 114    8.9532     9.6692    10.1822    11.9883    11.6485    11.5998 
   H 115    8.3743     9.1953     9.5249    10.8772    10.4110    10.7948 
   H 116    6.2330     7.1070     7.2253     8.1362     7.5939     8.3015 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    3.0958     0.0000 
   H  81    3.7580     0.8768     0.0000 
   H  82    3.3144     1.2400     0.8768     0.0000 
   H  83    6.9443     6.5412     6.0134     5.3067     0.0000 
   H  84    7.0304     7.0860     6.6582     5.8824     1.0739     0.0000 
   H  85    6.9069     7.8773     7.6724     6.8117     3.2149     2.1901 
   H  86    8.4913     9.4467     9.2011     8.3517     4.1097     3.0462 
   H  87    9.5640    10.0872     9.7139     8.9126     3.9732     3.0861 
   H  88    2.6794     2.3949     3.2605     3.4898     8.5329     8.8943 
   H  89    7.8770     7.7386     7.2435     6.5126     1.2553     0.8967 
   H  90    9.2975     9.3314     8.8467     8.1096     2.8513     2.2992 
   H  91    4.0005     3.8534     4.6716     5.0264    10.1353    10.4949 
   H  92    8.2550     9.5035     9.3400     8.4729     4.7026     3.6296 
   H  93    9.2721     8.8448     8.2588     7.6050     2.3625     2.3909 
   H  94    9.2894     9.1262     8.5973     7.8933     2.5874     2.2633 
   H  95    5.4206     4.4470     5.1138     5.6868    10.9744    11.4559 
   H  96   10.1035    10.8184    10.4848     9.6665     4.8495     3.9187 
   H  97    5.0111     2.5444     2.8443     3.6386     8.8498     9.5005 
   H  98    5.8255     3.9481     4.3913     5.1309    10.4036    11.0134 
   H  99   10.2011    10.2144     9.7114     8.9880     3.6996     3.2054 
   H 100    3.5246     4.0949     4.9592     5.1663    10.0532    10.3228 
   H 101    6.2816     3.6875     3.7984     4.6543     9.6725    10.4030 
   H 102    5.4876     2.9274     3.1244     3.9556     9.0868     9.7746 
   H 103    5.7003     5.1595     5.8809     6.3905    11.6315    12.0579 
   H 104    9.2542     8.6277     8.0003     7.3894     2.3127     2.6022 
   H 105    6.4060     5.1595     5.7336     6.3905    11.6972    12.2343 
   H 106    9.4037     8.7730     8.1425     7.5350     2.4616     2.7309 
   H 107    7.2667     4.8477     5.0001     5.8514    10.8678    11.6061 
   H 108   11.1683     9.8500     9.0752     8.6815     4.6194     5.2468 
   H 109    8.5887     7.0797     6.2979     5.9273     2.9475     3.9499 
   H 110   10.1875     8.5606     7.7469     7.4476     4.2702     5.1475 
   H 111   10.9353    10.3051     9.6559     9.0694     3.9920     4.0998 
   H 112    9.4600     7.5267     6.6795     6.4947     4.4259     5.4430 
   H 113    9.8819     8.1226     7.2933     7.0412     4.3108     5.2589 
   H 114   11.9700    10.7337     9.9668     9.5560     5.2750     5.7833 
   H 115   11.0212     9.2699     8.4358     8.1946     5.1705     6.0271 
   H 116    8.3998     6.3442     5.4902     5.3452     4.1693     5.2398 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    1.6039     0.0000 
   H  87    2.7780     1.6040     0.0000 
   H  88    9.2252    10.8290    11.7191     0.0000 
   H  89    2.7781     3.2079     2.7780     9.6476     0.0000 
   H  90    3.2078     2.7781     1.6039    11.1911     1.6039     0.0000 
   H  91   10.7641    12.3662    13.2972     1.6039    11.2513    12.7925 
   H  92    1.6999     0.9071     2.4759    10.7049     3.9460     3.6748 
   H  93    4.0777     4.0417     2.9991    10.8891     1.4963     1.3953 
   H  94    3.5628     3.3198     2.2031    11.0688     1.4255     0.5995 
   H  95   11.9543    13.5567    14.3738     2.7781    12.1518    13.7313 
   H  96    3.2037     1.7000     0.9072    12.3552     3.6748     2.4759 
   H  97   10.4122    11.9721    12.5474     2.7780    10.0850    11.6886 
   H  98   11.7973    13.3787    14.0327     3.2078    11.6286    13.2300 
   H  99    3.9460     3.2037     1.6999    12.0945     2.4758     0.9071 
   H 100   10.4115    12.0038    13.0202     1.7000    11.1165    12.6201 
   H 101   11.4659    12.9995    13.4787     3.9866    10.9236    12.5238 
   H 102   10.7587    12.3066    12.8370     3.2524    10.3306    11.9341 
   H 103   12.4253    14.0290    14.9178     3.2037    12.7838    14.3474 
   H 104    4.4858     4.5826     3.5948    10.7417     1.7578     1.9919 
   H 105   12.8343    14.4330    15.1963     3.7404    12.8981    14.4898 
   H 106    4.5826     4.6338     3.6009    10.8904     1.8755     1.9974 
   H 107   12.6625    14.2003    14.6828     4.7939    12.1202    13.7190 
   H 108    7.2519     7.3122     6.1377    12.1700     4.4858     4.5826 
   H 109    6.1378     6.8021     6.1798     9.4167     3.5948     4.6387 
   H 110    7.3122     7.7130     6.8020    10.9267     4.5826     5.1983 
   H 111    5.6368     5.2773     3.8900    12.4390     3.2037     2.5179 
   H 112    7.6285     8.2881     7.5993     9.9185     5.0805     6.0257 
   H 113    7.4454     7.9610     7.1452    10.5027     4.7795     5.5487 
   H 114    7.6682     7.5461     6.2385    13.0413     4.9608     4.7700 
   H 115    8.1777     8.5084     7.5122    11.6529     5.4262     5.9127 
   H 116    7.3610     8.2342     7.7713     8.7386     5.0747     6.2745 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92   12.2018     0.0000 
   H  93   12.4901     4.9033     0.0000 
   H  94   12.6726     4.2030     0.7970     0.0000 
   H  95    1.6040    13.4643    13.2902    13.5531     0.0000 
   H  96   13.9166     2.3716     3.8653     3.0690    15.0456     0.0000 
   H  97    3.2078    12.0461    11.0631    11.4289     2.7781    13.3051 
   H  98    2.7780    13.3940    12.6421    12.9884     1.6039    14.7664 
   H  99   13.6965     4.1077     1.7991     1.1540    14.6239     2.3716 
   H 100    0.9072    11.7795    12.4157    12.5420     2.4759    13.5962 
   H 101    4.1182    13.1247    11.7946    12.2209     3.2178    14.2665 
   H 102    3.5802    12.4055    11.2624    11.6550     2.9608    13.6090 
   H 103    1.7000    13.8849    13.9676    14.1963     0.9071    15.5588 
   H 104   12.3358     5.4262     0.5996     1.3954    13.0732     4.4643 
   H 105    2.6121    14.3719    13.9816    14.2837     1.0148    15.8910 
   H 106   12.4842     5.4863     0.6057     1.3980    13.2181     4.4602 
   H 107    4.5468    14.3165    12.9705    13.4091     3.2787    15.4711 
   H 108   13.6985     8.1776     3.2743     4.0044    14.1571     6.9224 
   H 109   10.9316     7.5122     3.3397     4.0835    11.3806     7.0825 
   H 110   12.4114     8.5083     3.8031     4.5998    12.7668     7.6645 
   H 111   14.0314     6.1810     1.7102     2.0749    14.7464     4.5826 
   H 112   11.3469     9.0070     4.6694     5.4478    11.5935     8.4940 
   H 113   11.9645     8.7252     4.1623     4.9563    12.2729     8.0243 
   H 114   14.5782     8.4364     3.5973     4.2353    15.0553     6.9530 
   H 115   13.1074     9.3241     4.5255     5.3139    13.3870     8.3507 
   H 116   10.1522     8.8689     5.0189     5.7400    10.3891     8.6783 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    1.6040     0.0000 
   H  99   12.5493    14.0998     0.0000 
   H 100    3.9460     3.6748    13.5271     0.0000 
   H 101    1.2707     1.6376    13.3597     4.9496     0.0000 
   H 102    0.4839     1.5730    12.7845     4.3562     0.7970     0.0000 
   H 103    3.6748     2.4758    15.2465     2.3716     4.1068     3.8678 
   H 104   10.7732    12.3633     2.3630    12.3042    11.4568    10.9515 
   H 105    3.0938     1.5505    15.3739     3.4641     3.1205     3.1205 
   H 106   10.9118    12.5029     2.3110    12.4538    11.5892    11.0876 
   H 107    2.3324     1.7700    14.5505     5.4400     1.2046     1.9203 
   H 108   11.5804    13.1776     4.5709    13.8319    11.9945    11.6473 
   H 109    8.8251    10.4264     5.1355    11.0903     9.2983     8.9117 
   H 110   10.1311    11.7170     5.4451    12.6127    10.4785    10.1689 
   H 111   12.3982    13.9955     2.2146    14.0042    13.0294    12.5559 
   H 112    8.9054    10.4731     6.4285    11.6170     9.1779     8.9110 
   H 113    9.6129    11.1916     5.8671    12.1956     9.9274     9.6366 
   H 114   12.4859    14.0836     4.5826    14.6958    12.9010    12.5542 
   H 115   10.7044    12.2719     6.0634    13.3468    10.9660    10.7090 
   H 116    7.7060     9.2784     6.8179    10.4383     8.0076     7.7201 

              H 103      H 104      H 105      H 106      H 107      H 108
              ------------------------------------------------------------------
   H 103    0.0000 
   H 104   13.7752     0.0000 
   H 105    1.3800    13.7337     0.0000 
   H 106   13.9216     0.1500    13.8760     0.0000 
   H 107    4.0601    12.6213     2.8059    12.7519     0.0000 
   H 108   14.9514     2.7780    14.6631     2.7000    13.0618     0.0000 
   H 109   12.1733     2.7780    11.8994     2.8501    10.4001     2.7781 
   H 110   13.5857     3.2078    13.2236     3.2043    11.5217     1.6039 
   H 111   15.4590     1.7000    15.3879     1.5505    14.1763     2.4759 
   H 112   12.4348     4.0776    11.9975     4.1183    10.1928     2.9992 
   H 113   13.1019     3.5627    12.7066     3.5803    10.9580     2.2031 
   H 114   15.8455     3.2037    15.5673     3.0937    13.9660     0.9071 
   H 115   14.2238     3.9460    13.7966     3.9198    11.9649     1.7000 
   H 116   11.2303     4.4700    10.7991     4.5469     9.0453     4.0373 

              H 109      H 110      H 111      H 112      H 113      H 114
              ------------------------------------------------------------------
   H 109    0.0000 
   H 110    1.6039     0.0000 
   H 111    3.9461     3.6748     0.0000 
   H 112    1.4964     1.3953     4.9034     0.0000 
   H 113    1.4255     0.5996     4.2031     0.7970     0.0000 
   H 114    3.6748     2.4758     2.3716     3.8653     3.0690     0.0000 
   H 115    2.4759     0.9072     4.1078     1.7991     1.1541     2.3716 
   H 116    1.7000     2.4765     5.6084     1.2046     1.9202     4.9340 

              H 115      H 116
              ----------------------
   H 115    0.0000 
   H 116    3.0000     0.0000 



ATOMIC CHARGES
   O   1   -0.3378742018
   O   2   -0.4318407393
   O   3   -0.2501426396
   O   4   -0.3404893066
   O   5   -0.3841036329
   O   6   -0.3312060285
   O   7   -0.3864008816
   O   8   -0.3864881511
   O   9   -0.3829196565
   O  10   -0.3460495015
   O  11   -0.3863580367
   O  12   -0.3864871716
   O  13   -0.3923656916
   O  14   -0.3405321103
   O  15   -0.3841040771
   O  16   -0.3864008840
   O  17   -0.3864882690
   O  18   -0.3923661820
   C  19   -0.0192348801
   C  20   -0.0292027558
   C  21   -0.0248913031
   C  22   -0.0198440449
   C  23   -0.0135467863
   C  24   -0.0464125175
   C  25    0.0938679847
   C  26   -0.0462761306
   C  27   -0.0232665754
   C  28   -0.0481822974
   C  29    0.0683453143
   C  30   -0.0470393581
   C  31   -0.0194680870
   C  32   -0.0446054832
   C  33   -0.0590083360
   C  34   -0.0372053623
   C  35   -0.0515401607
   C  36   -0.0491317897
   C  37    0.3155781945
   C  38   -0.0967312162
   C  39    0.1889154264
   C  40    0.1341448474
   C  41    0.1140618883
   C  42    0.2337443073
   C  43    0.1133653081
   C  44    0.1119055340
   C  45    0.1455301358
   C  46    0.0795561673
   C  47    0.1151813076
   C  48    0.1139990889
   C  49    0.1119731590
   C  50    0.0730506749
   C  51    0.1880118613
   C  52    0.1341126414
   C  53    0.1140613298
   C  54    0.1130049704
   C  55    0.1118957558
   C  56    0.0730151414
   H  57    0.0311583015
   H  58    0.0316591233
   H  59    0.0301734829
   H  60    0.0301734829
   H  61    0.0270885395
   H  62    0.0270885395
   H  63    0.0269266890
   H  64    0.0269266890
   H  65    0.0316267196
   H  66    0.0316267196
   H  67    0.0268571318
   H  68    0.0268571318
   H  69    0.0270696426
   H  70    0.0270696426
   H  71    0.0296268577
   H  72    0.0296268577
   H  73    0.0235247368
   H  74    0.0235247368
   H  75    0.0235247368
   H  76    0.0275787645
   H  77    0.0275787645
   H  78    0.0265745914
   H  79    0.0265745914
   H  80    0.0240319501
   H  81    0.0240319501
   H  82    0.0240319501
   H  83    0.0535289357
   H  84    0.0535289357
   H  85    0.0937730391
   H  86    0.0670955781
   H  87    0.0647581119
   H  88    0.1085098551
   H  89    0.0646773280
   H  90    0.0646729551
   H  91    0.0682978205
   H  92    0.2101104735
   H  93    0.0587443193
   H  94    0.0587443193
   H  95    0.0647998971
   H  96    0.2100050343
   H  97    0.0647029862
   H  98    0.0646738940
   H  99    0.2100035486
   H 100    0.2101631021
   H 101    0.0583706310
   H 102    0.0583706310
   H 103    0.2100057483
   H 104    0.0937409896
   H 105    0.2100035536
   H 106    0.0670951524
   H 107    0.2095080331
   H 108    0.0647581097
   H 109    0.0646676542
   H 110    0.0646728421
   H 111    0.2101104712
   H 112    0.0583701609
   H 113    0.0583701609
   H 114    0.2100050343
   H 115    0.2100035480
   H 116    0.2095080306


BOND ANGLES
  25    1   39   C3   O3   C3    120.002
  37    2   42   C2   O3   C3    119.997
  39    4   43   C3   O3   C3    119.996
  40    5   92   C3   O3   HO    119.999
  42    6   48   C3   O3   C3    120.004
  41    7   96   C3   O3   HO    119.997
  44    8   99   C3   O3   HO    119.993
  45    9  100   C3   O3   HO    119.996
  46   10   51   C3   O3   C3    119.998
  47   11  103   C3   O3   HO    119.992
  49   12  105   C3   O3   HO    120.001
  50   13  107   C3   O3   HO    120.005
  51   14   54   C3   O3   C3    119.995
  52   15  111   C3   O3   HO    120.003
  53   16  114   C3   O3   HO    119.993
  55   17  115   C3   O3   HO    120.003
  56   18  116   C3   O3   HO    119.995
  20   19   23   C3   C3   C3     59.096
  20   19   24   C3   C3   C3    120.882
  20   19   27   C3   C3   C3    128.568
  23   19   24   C3   C3   C3    179.974
  23   19   27   C3   C3   C3     69.472
  24   19   27   C3   C3   C3    110.550
  19   20   21   C3   C3   C3    120.882
  19   20   26   C3   C3   C3    128.574
  19   20   57   C3   C3   HC    176.153
  21   20   26   C3   C3   C3    110.544
  21   20   57   C3   C3   HC     55.271
  26   20   57   C3   C3   HC     55.273
  20   21   22   C3   C3   C3    119.556
  20   21   30   C3   C3   C3    119.555
  20   21   33   C3   C3   C3     60.443
  22   21   30   C3   C3   C3    120.889
  22   21   33   C3   C3   C3    179.974
  30   21   33   C3   C3   C3     59.112
  21   22   28   C3   C3   C3    119.562
  21   22   29   C3   C3   C3    120.881
  21   22   58   C3   C3   HC    179.340
  28   22   29   C3   C3   C3    119.557
  28   22   58   C3   C3   HC     59.779
  29   22   58   C3   C3   HC     59.778
  19   23   25   C3   C3   C3    143.910
  19   23   59   C3   C3   HC    144.054
  19   23   60   C3   C3   HC     72.028
  25   23   59   C3   C3   HC     72.036
  25   23   60   C3   C3   HC    144.062
  59   23   60   HC   C3   HC     72.025
  19   24   28   C3   C3   C3    119.560
  19   24   61   C3   C3   HC    160.285
  19   24   62   C3   C3   HC     80.139
  28   24   61   C3   C3   HC     80.156
  28   24   62   C3   C3   HC    160.301
  61   24   62   HC   C3   HC     80.146
   1   25   23   O3   C3   C3    161.957
   1   25   31   O3   C3   C3    102.862
   1   25   32   O3   C3   C2    128.574
  23   25   31   C3   C3   C3     59.095
  23   25   32   C3   C3   C2     69.469
  31   25   32   C3   C3   C2    128.564
  20   26   31   C3   C3   C3    128.569
  20   26   63   C3   C3   HC    154.287
  20   26   64   C3   C3   HC     77.143
  31   26   63   C3   C3   HC     77.144
  31   26   64   C3   C3   HC    154.288
  63   26   64   HC   C3   HC     77.144
  19   27   32   C3   C3   C2    128.575
  19   27   65   C3   C3   HC     77.144
  19   27   66   C3   C3   HC    154.288
  32   27   65   C2   C3   HC    154.281
  32   27   66   C2   C3   HC     77.137
  65   27   66   HC   C3   HC     77.144
  22   28   24   C3   C3   C3    119.558
  22   28   67   C3   C3   HC     80.148
  22   28   68   C3   C3   HC    160.301
  24   28   67   C3   C3   HC    160.294
  24   28   68   C3   C3   HC     80.141
  67   28   68   HC   C3   HC     80.153
  22   29   34   C3   C3   C3    119.558
  22   29   36   C3   C3   C3     90.224
  22   29   37   C3   C3   C2    150.220
  34   29   36   C3   C3   C3    150.219
  34   29   37   C3   C3   C2     90.222
  36   29   37   C3   C3   C2     59.996
  21   30   35   C3   C3   C3    119.555
  21   30   69   C3   C3   HC     80.157
  21   30   70   C3   C3   HC    160.303
  35   30   69   C3   C3   HC    160.288
  35   30   70   C3   C3   HC     80.142
  69   30   70   HC   C3   HC     80.146
  25   31   26   C3   C3   C3    128.576
  25   31   71   C3   C3   HC     77.140
  25   31   72   C3   C3   HC    154.285
  26   31   71   C3   C3   HC    154.284
  26   31   72   C3   C3   HC     77.139
  71   31   72   HC   C3   HC     77.145
  25   32   27   C3   C2   C3    128.574
  25   32   38   C3   C2   C2    115.709
  27   32   38   C3   C2   C2    115.717
  21   33   73   C3   C3   HC     89.998
  21   33   74   C3   C3   HC    179.974
  21   33   75   C3   C3   HC     90.002
  73   33   74   HC   C3   HC     90.000
  73   33   75   HC   C3   HC    179.974
  74   33   75   HC   C3   HC     90.000
  29   34   35   C3   C3   C3    119.562
  29   34   76   C3   C3   HC    160.298
  29   34   77   C3   C3   HC     80.152
  35   34   76   C3   C3   HC     80.141
  35   34   77   C3   C3   HC    160.286
  76   34   77   HC   C3   HC     80.145
  30   35   34   C3   C3   C3    119.555
  30   35   78   C3   C3   HC     80.140
  30   35   79   C3   C3   HC    160.292
  34   35   78   C3   C3   HC    160.304
  34   35   79   C3   C3   HC     80.152
  78   35   79   HC   C3   HC     80.152
  29   36   80   C3   C3   HC     90.003
  29   36   81   C3   C3   HC    179.974
  29   36   82   C3   C3   HC     89.993
  80   36   81   HC   C3   HC     90.008
  80   36   82   HC   C3   HC    179.974
  81   36   82   HC   C3   HC     89.995
   2   37    3   O3   C2   O2    120.000
   2   37   29   O3   C2   C3    119.997
   3   37   29   O2   C2   C3    120.004
  32   38   83   C2   C2   HC    119.993
  32   38   84   C2   C2   HC    119.998
  83   38   84   HC   C2   HC    120.009
   1   39    4   O3   C3   O3    119.996
   1   39   40   O3   C3   C3    119.997
   1   39   85   O3   C3   HC     59.998
   4   39   40   O3   C3   C3    120.007
   4   39   85   O3   C3   HC    179.974
  40   39   85   C3   C3   HC     59.999
   5   40   39   O3   C3   C3    120.003
   5   40   41   O3   C3   C3    120.001
   5   40   86   O3   C3   HC     60.001
  39   40   41   C3   C3   C3    119.996
  39   40   86   C3   C3   HC    179.974
  41   40   86   C3   C3   HC     60.000
   7   41   40   O3   C3   C3    119.996
   7   41   44   O3   C3   C3    120.007
   7   41   87   O3   C3   HC     60.008
  40   41   44   C3   C3   C3    119.997
  40   41   87   C3   C3   HC    179.974
  44   41   87   C3   C3   HC     59.999
   2   42    6   O3   C3   O3    120.004
   2   42   45   O3   C3   C3    120.003
   2   42   88   O3   C3   HC     60.001
   6   42   45   O3   C3   C3    119.994
   6   42   88   O3   C3   HC    179.974
  45   42   88   C3   C3   HC     60.002
   4   43   44   O3   C3   C3    120.002
   4   43   46   O3   C3   C3    119.996
   4   43   89   O3   C3   HC     59.999
  44   43   46   C3   C3   C3    120.001
  44   43   89   C3   C3   HC    179.974
  46   43   89   C3   C3   HC     59.998
   8   44   41   O3   C3   C3    119.996
   8   44   43   O3   C3   C3    120.002
   8   44   90   O3   C3   HC     60.003
  41   44   43   C3   C3   C3    120.001
  41   44   90   C3   C3   HC    179.974
  43   44   90   C3   C3   HC     59.999
   9   45   42   O3   C3   C3    119.994
   9   45   47   O3   C3   C3    120.004
   9   45   91   O3   C3   HC     60.002
  42   45   47   C3   C3   C3    120.003
  42   45   91   C3   C3   HC    179.974
  47   45   91   C3   C3   HC     60.002
  10   46   43   O3   C3   C3    120.001
  10   46   93   O3   C3   HC     80.008
  10   46   94   O3   C3   HC    160.001
  43   46   93   C3   C3   HC    159.990
  43   46   94   C3   C3   HC     79.997
  93   46   94   HC   C3   HC     79.993
  11   47   45   O3   C3   C3    119.997
  11   47   49   O3   C3   C3    120.000
  11   47   95   O3   C3   HC     60.003
  45   47   49   C3   C3   C3    120.004
  45   47   95   C3   C3   HC    179.974
  49   47   95   C3   C3   HC     59.997
   6   48   49   O3   C3   C3    120.003
   6   48   50   O3   C3   C3    120.004
   6   48   97   O3   C3   HC     60.002
  49   48   50   C3   C3   C3    119.994
  49   48   97   C3   C3   HC    179.974
  50   48   97   C3   C3   HC     60.002
  12   49   47   O3   C3   C3    120.004
  12   49   48   O3   C3   C3    120.003
  12   49   98   O3   C3   HC     60.001
  47   49   48   C3   C3   C3    119.994
  47   49   98   C3   C3   HC    179.974
  48   49   98   C3   C3   HC     60.002
  13   50   48   O3   C3   C3    120.004
  13   50  101   O3   C3   HC     80.003
  13   50  102   O3   C3   HC    159.999
  48   50  101   C3   C3   HC    159.994
  48   50  102   C3   C3   HC     79.998
 101   50  102   HC   C3   HC     79.996
  10   51   14   O3   C3   O3    119.999
  10   51   52   O3   C3   C3    120.000
  10   51  104   O3   C3   HC     60.003
  14   51   52   O3   C3   C3    120.001
  14   51  104   O3   C3   HC    179.974
  52   51  104   C3   C3   HC     59.997
  15   52   51   O3   C3   C3    120.002
  15   52   53   O3   C3   C3    119.997
  15   52  106   O3   C3   HC     59.999
  51   52   53   C3   C3   C3    120.000
  51   52  106   C3   C3   HC     60.003
  53   52  106   C3   C3   HC    179.974
  16   53   52   O3   C3   C3    120.000
  16   53   55   O3   C3   C3    120.002
  16   53  108   O3   C3   HC     60.003
  52   53   55   C3   C3   C3    119.997
  52   53  108   C3   C3   HC    179.974
  55   53  108   C3   C3   HC     59.999
  14   54   55   O3   C3   C3    120.004
  14   54   56   O3   C3   C3    119.995
  14   54  109   O3   C3   HC     59.995
  55   54   56   C3   C3   C3    120.001
  55   54  109   C3   C3   HC    179.974
  56   54  109   C3   C3   HC     60.000
  17   55   53   O3   C3   C3    120.001
  17   55   54   O3   C3   C3    119.996
  17   55  110   O3   C3   HC     59.998
  53   55   54   C3   C3   C3    120.002
  53   55  110   C3   C3   HC    179.974
  54   55  110   C3   C3   HC     59.999
  18   56   54   O3   C3   C3    119.995
  18   56  112   O3   C3   HC     80.005
  18   56  113   O3   C3   HC    160.006
  54   56  112   C3   C3   HC    159.999
  54   56  113   C3   C3   HC     79.999
 112   56  113   HC   C3   HC     80.000


TORSION ANGLES
  23   25    1   39    179.974
  31   25    1   39    179.974
  32   25    1   39      0.026
  25    1   39    4      0.026
  25    1   39   40    179.974
  25    1   39   85    179.974
  42    2   37    3      0.026
  42    2   37   29    179.974
  37    2   42    6      0.026
  37    2   42   45    179.974
  37    2   42   88    179.974
  43    4   39    1    179.974
  43    4   39   40      0.026
  43    4   39   85    179.974
  39    4   43   44      0.026
  39    4   43   46    179.974
  39    4   43   89    179.974
  92    5   40   39    179.974
  92    5   40   41      0.026
  92    5   40   86      0.026
  48    6   42    2    179.974
  48    6   42   45      0.026
  48    6   42   88      0.026
  42    6   48   49      0.026
  42    6   48   50    179.974
  42    6   48   97    179.974
  96    7   41   40    179.974
  96    7   41   44      0.026
  96    7   41   87      0.026
  99    8   44   41    179.974
  99    8   44   43      0.026
  99    8   44   90      0.026
 100    9   45   42    179.974
 100    9   45   47      0.026
 100    9   45   91      0.026
  51   10   46   43    179.974
  51   10   46   93      0.026
  51   10   46   94      0.026
  46   10   51   14    179.974
  46   10   51   52      0.026
  46   10   51  104      0.026
 103   11   47   45    179.974
 103   11   47   49      0.026
 103   11   47   95      0.026
 105   12   49   47      0.026
 105   12   49   48    179.974
 105   12   49   98    179.974
 107   13   50   48    179.974
 107   13   50  101      0.026
 107   13   50  102      0.026
  54   14   51   10    179.974
  54   14   51   52      0.026
  54   14   51  104      0.026
  51   14   54   55      0.026
  51   14   54   56    179.974
  51   14   54  109    179.974
 111   15   52   51    179.974
 111   15   52   53      0.026
 111   15   52  106    179.974
 114   16   53   52    179.974
 114   16   53   55      0.026
 114   16   53  108      0.026
 115   17   55   53    179.974
 115   17   55   54      0.026
 115   17   55  110      0.026
 116   18   56   54    179.974
 116   18   56  112      0.026
 116   18   56  113      0.026
  23   19   20   21    179.974
  23   19   20   26      0.026
  23   19   20   57    179.974
  24   19   20   21      0.026
  24   19   20   26    179.974
  24   19   20   57      0.026
  27   19   20   21    179.974
  27   19   20   26      0.026
  27   19   20   57    179.974
  20   19   23   25    179.974
  20   19   23   59      0.026
  20   19   23   60      0.026
  24   19   23   25    179.974
  24   19   23   59      0.026
  24   19   23   60      0.026
  27   19   23   25      0.026
  27   19   23   59    179.974
  27   19   23   60    179.974
  20   19   24   28      0.026
  20   19   24   61    179.974
  20   19   24   62    179.974
  23   19   24   28      0.026
  23   19   24   61    179.974
  23   19   24   62    179.974
  27   19   24   28    179.974
  27   19   24   61      0.026
  27   19   24   62      0.026
  20   19   27   32      0.026
  20   19   27   65    179.974
  20   19   27   66    179.974
  23   19   27   32      0.026
  23   19   27   65    179.974
  23   19   27   66    179.974
  24   19   27   32    179.974
  24   19   27   65      0.026
  24   19   27   66      0.026
  19   20   21   22      0.026
  19   20   21   30    179.974
  19   20   21   33    179.974
  26   20   21   22    179.974
  26   20   21   30      0.026
  26   20   21   33      0.026
  57   20   21   22    179.974
  57   20   21   30      0.026
  57   20   21   33      0.026
  19   20   26   31      0.026
  19   20   26   63    179.974
  19   20   26   64    179.974
  21   20   26   31    179.974
  21   20   26   63      0.026
  21   20   26   64      0.026
  57   20   26   31    179.974
  57   20   26   63      0.026
  57   20   26   64      0.026
  20   21   22   28      0.026
  20   21   22   29    179.974
  20   21   22   58      0.026
  30   21   22   28    179.974
  30   21   22   29      0.026
  30   21   22   58    179.974
  33   21   22   28      0.026
  33   21   22   29    179.974
  33   21   22   58      0.026
  20   21   30   35    179.974
  20   21   30   69      0.026
  20   21   30   70      0.026
  22   21   30   35      0.026
  22   21   30   69    179.974
  22   21   30   70    179.974
  33   21   30   35    179.974
  33   21   30   69      0.026
  33   21   30   70      0.026
  20   21   33   73      0.026
  20   21   33   74      0.026
  20   21   33   75    179.974
  22   21   33   73      0.026
  22   21   33   74      0.026
  22   21   33   75    179.974
  30   21   33   73    179.974
  30   21   33   74    179.974
  30   21   33   75      0.026
  21   22   28   24      0.026
  21   22   28   67    179.974
  21   22   28   68    179.974
  29   22   28   24    179.974
  29   22   28   67      0.026
  29   22   28   68      0.026
  58   22   28   24    179.974
  58   22   28   67      0.026
  58   22   28   68      0.026
  21   22   29   34      0.026
  21   22   29   36    179.974
  21   22   29   37    179.974
  28   22   29   34    179.974
  28   22   29   36      0.026
  28   22   29   37      0.026
  58   22   29   34    179.974
  58   22   29   36      0.026
  58   22   29   37      0.026
  19   23   25    1    179.974
  19   23   25   31    179.974
  19   23   25   32      0.026
  59   23   25    1      0.026
  59   23   25   31      0.026
  59   23   25   32    179.974
  60   23   25    1      0.026
  60   23   25   31      0.026
  60   23   25   32    179.974
  19   24   28   22      0.026
  19   24   28   67    179.974
  19   24   28   68    179.974
  61   24   28   22    179.974
  61   24   28   67      0.026
  61   24   28   68      0.026
  62   24   28   22    179.974
  62   24   28   67      0.026
  62   24   28   68      0.026
   1   25   31   26    179.974
   1   25   31   71      0.026
   1   25   31   72      0.026
  23   25   31   26      0.026
  23   25   31   71    179.974
  23   25   31   72    179.974
  32   25   31   26      0.026
  32   25   31   71    179.974
  32   25   31   72    179.974
   1   25   32   27    179.974
   1   25   32   38      0.026
  23   25   32   27      0.026
  23   25   32   38    179.974
  31   25   32   27      0.026
  31   25   32   38    179.974
  20   26   31   25      0.026
  20   26   31   71    179.974
  20   26   31   72    179.974
  63   26   31   25    179.974
  63   26   31   71      0.026
  63   26   31   72      0.026
  64   26   31   25    179.974
  64   26   31   71      0.026
  64   26   31   72      0.026
  19   27   32   25      0.026
  19   27   32   38    179.974
  65   27   32   25    179.974
  65   27   32   38      0.026
  66   27   32   25    179.974
  66   27   32   38      0.026
  22   29   34   35      0.026
  22   29   34   76    179.974
  22   29   34   77    179.974
  36   29   34   35    179.974
  36   29   34   76      0.026
  36   29   34   77      0.026
  37   29   34   35    179.974
  37   29   34   76      0.026
  37   29   34   77      0.026
  22   29   36   80    179.974
  22   29   36   81      0.026
  22   29   36   82      0.026
  34   29   36   80      0.026
  34   29   36   81    179.974
  34   29   36   82    179.974
  37   29   36   80      0.026
  37   29   36   81    179.974
  37   29   36   82    179.974
  22   29   37    2    179.974
  22   29   37    3      0.026
  34   29   37    2      0.026
  34   29   37    3    179.974
  36   29   37    2    179.974
  36   29   37    3      0.026
  21   30   35   34      0.026
  21   30   35   78    179.974
  21   30   35   79    179.974
  69   30   35   34    179.974
  69   30   35   78      0.026
  69   30   35   79      0.026
  70   30   35   34    179.974
  70   30   35   78      0.026
  70   30   35   79      0.026
  25   32   38   83    179.974
  25   32   38   84      0.026
  27   32   38   83      0.026
  27   32   38   84    179.974
  29   34   35   30      0.026
  29   34   35   78    179.974
  29   34   35   79    179.974
  76   34   35   30    179.974
  76   34   35   78      0.026
  76   34   35   79      0.026
  77   34   35   30    179.974
  77   34   35   78      0.026
  77   34   35   79      0.026
   1   39   40    5      0.026
   1   39   40   41    179.974
   1   39   40   86    179.974
   4   39   40    5    179.974
   4   39   40   41      0.026
   4   39   40   86      0.026
  85   39   40    5      0.026
  85   39   40   41    179.974
  85   39   40   86    179.974
   5   40   41    7      0.026
   5   40   41   44    179.974
   5   40   41   87    179.974
  39   40   41    7    179.974
  39   40   41   44      0.026
  39   40   41   87      0.026
  86   40   41    7      0.026
  86   40   41   44    179.974
  86   40   41   87    179.974
   7   41   44    8      0.026
   7   41   44   43    179.974
   7   41   44   90      0.026
  40   41   44    8    179.974
  40   41   44   43      0.026
  40   41   44   90    179.974
  87   41   44    8      0.026
  87   41   44   43    179.974
  87   41   44   90      0.026
   2   42   45    9      0.026
   2   42   45   47    179.974
   2   42   45   91      0.026
   6   42   45    9    179.974
   6   42   45   47      0.026
   6   42   45   91    179.974
  88   42   45    9      0.026
  88   42   45   47    179.974
  88   42   45   91      0.026
   4   43   44    8    179.974
   4   43   44   41      0.026
   4   43   44   90    179.974
  46   43   44    8      0.026
  46   43   44   41    179.974
  46   43   44   90      0.026
  89   43   44    8      0.026
  89   43   44   41    179.974
  89   43   44   90      0.026
   4   43   46   10      0.026
   4   43   46   93    179.974
   4   43   46   94    179.974
  44   43   46   10    179.974
  44   43   46   93      0.026
  44   43   46   94      0.026
  89   43   46   10      0.026
  89   43   46   93    179.974
  89   43   46   94    179.974
   9   45   47   11      0.026
   9   45   47   49    179.974
   9   45   47   95      0.026
  42   45   47   11    179.974
  42   45   47   49      0.026
  42   45   47   95    179.974
  91   45   47   11      0.026
  91   45   47   49    179.974
  91   45   47   95      0.026
  11   47   49   12      0.026
  11   47   49   48    179.974
  11   47   49   98    179.974
  45   47   49   12    179.974
  45   47   49   48      0.026
  45   47   49   98      0.026
  95   47   49   12      0.026
  95   47   49   48    179.974
  95   47   49   98    179.974
   6   48   49   12    179.974
   6   48   49   47      0.026
   6   48   49   98    179.974
  50   48   49   12      0.026
  50   48   49   47    179.974
  50   48   49   98      0.026
  97   48   49   12      0.026
  97   48   49   47    179.974
  97   48   49   98      0.026
   6   48   50   13    179.974
   6   48   50  101      0.026
   6   48   50  102      0.026
  49   48   50   13      0.026
  49   48   50  101    179.974
  49   48   50  102    179.974
  97   48   50   13    179.974
  97   48   50  101      0.026
  97   48   50  102      0.026
  10   51   52   15      0.026
  10   51   52   53    179.974
  10   51   52  106      0.026
  14   51   52   15    179.974
  14   51   52   53      0.026
  14   51   52  106    179.974
 104   51   52   15      0.026
 104   51   52   53    179.974
 104   51   52  106      0.026
  15   52   53   16      0.026
  15   52   53   55    179.974
  15   52   53  108    179.974
  51   52   53   16    179.974
  51   52   53   55      0.026
  51   52   53  108      0.026
 106   52   53   16      0.026
 106   52   53   55    179.974
 106   52   53  108    179.974
  16   53   55   17      0.026
  16   53   55   54    179.974
  16   53   55  110      0.026
  52   53   55   17    179.974
  52   53   55   54      0.026
  52   53   55  110    179.974
 108   53   55   17      0.026
 108   53   55   54    179.974
 108   53   55  110      0.026
  14   54   55   17    179.974
  14   54   55   53      0.026
  14   54   55  110    179.974
  56   54   55   17      0.026
  56   54   55   53    179.974
  56   54   55  110      0.026
 109   54   55   17    179.974
 109   54   55   53      0.026
 109   54   55  110    179.974
  14   54   56   18      0.026
  14   54   56  112    179.974
  14   54   56  113    179.974
  55   54   56   18    179.974
  55   54   56  112      0.026
  55   54   56  113      0.026
 109   54   56   18      0.026
 109   54   56  112    179.974
 109   54   56  113    179.974


CHIRAL ATOMS
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974
 109   54   56  113    179.974