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2,2'-[(1,8-Dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolinium
2,2'-[(1,8-Dioxo-4-octene-1,8-diyl)bis(oxy-3,1-propanediyl)]bis[1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolinium ID: API-28682
CAS:106791-40-6
Supplier:APIchem

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SMILES:O(CCC[N+]1([C@@H](c2c(CC1)cc(OC)c(OC)c2)Cc1cc(OC)c(OC)c(OC)c1)C)C(=O)CC/C=C/CCC(=O)OCCC[N+]1([C@@H](c2c(CC1)cc(OC)c(OC)c2)Cc1cc(OC)c(OC)c(OC)c1)C	ChemMol.com
FORMULA: C58H80N2O14++
MASS: 1029.2608
EXACT MASS: 1028.5609553
TOTAL CHARGE: 2
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    7.8102     0.0000 
   O   3    7.7326    15.4909     0.0000 
   O   4   15.4909     7.7326    23.2061     0.0000 
   O   5   14.8570     7.3990    22.5841     2.0482     0.0000 
   O   6    7.3990    14.8570     2.0482    22.5841    22.1349     0.0000 
   O   7   15.8174     8.0110    23.4983     0.9781     3.0248    22.7968 
   O   8    8.0110    15.8174     0.9781    23.4983    22.7968     3.0248 
   O   9   15.8974     8.3772    23.2943     4.3636     6.2867    22.3128 
   O  10    8.3772    15.8974     4.3636    23.2943    22.3128     6.2867 
   O  11   16.7623     9.0058    24.3307     2.9766     5.0245    23.4800 
   O  12    9.0058    16.7623     2.9766    24.3307    23.4800     5.0245 
   O  13    7.0000     1.7321    14.4806     9.0041     8.9204    13.6713 
   O  14    1.7321     7.0000     9.0041    14.4806    13.6713     8.9204 
   N  15   11.2694     3.4641    18.9251     4.4272     4.6528    18.2162 
   N  16    3.4641    11.2694     4.4272    18.9251    18.2162     4.6528 
   C  17    4.4641    12.2685     3.5302    19.9184    19.1928     4.0692 
   C  18   12.2685     4.4641    19.9184     3.5302     4.0692    19.1928 
   C  19   10.8447     3.0880    18.5541     4.6528     4.4272    17.9449 
   C  20    3.0880    10.8447     4.6528    18.5541    17.9449     4.4272 
   C  21    2.6458    10.3923     5.4215    18.0102    17.2637     5.6072 
   C  22   10.3923     2.6458    18.0102     5.4215     5.6072    17.2637 
   C  23   12.8312     5.0390    20.5285     2.7152     3.0693    19.8768 
   C  24    5.0391    12.8313     2.7151    20.5286    19.8769     3.0692 
   C  25   11.4774     3.8730    19.2077     4.0692     3.5302    18.6748 
   C  26    3.8730    11.4774     4.0692    19.2077    18.6748     3.5302 
   C  27   11.2694     3.6056    18.8327     4.9080     5.4483    18.0220 
   C  28    3.6056    11.2694     4.9080    18.8327    18.0220     5.4483 
   C  29    5.0391    12.7635     3.6625    20.3383    19.5236     4.6483 
   C  30   12.7635     5.0391    20.3383     3.6625     4.6483    19.5236 
   C  31    4.7884    12.4599     3.0692    20.1871    19.6287     2.7151 
   C  32   12.4598     4.7883    20.1870     3.0693     2.7152    19.6286 
   C  33    9.5394     1.7321    17.2065     6.0578     5.9327    16.5312 
   C  34    1.7321     9.5394     6.0578    17.2065    16.5312     5.9327 
   C  35    6.0655    13.8657     1.7701    21.5564    20.8843     2.7151 
   C  36   13.8657     6.0655    21.5564     1.7701     2.7151    20.8843 
   C  37   13.7631     6.0266    21.3361     3.0456     4.4178    20.5111 
   C  38    6.0267    13.7632     3.0455    21.3362    20.5112     4.4177 
   C  39    5.6295    13.1462     2.7151    20.8783    20.3926     1.7701 
   C  40   13.1462     5.6295    20.8783     2.7151     1.7701    20.3926 
   C  41    1.0001     8.6602     7.0348    16.2872    15.5720     6.9274 
   C  42    8.6602     1.0001    16.2872     7.0348     6.9274    15.5720 
   C  43   14.5029     6.7632    22.2224     0.9999     1.7701    21.6199 
   C  44    6.7632    14.5029     0.9999    22.2224    21.6199     1.7701 
   C  45    6.5707    14.1616     1.7701    21.8941    21.3823     0.9999 
   C  46   14.1616     6.5707    21.8941     1.7701     0.9999    21.3823 
   C  47    6.6922    14.3115     3.6369    21.7977    20.8930     5.2502 
   C  48   14.3114     6.6921    21.7976     3.6370     5.2502    20.8929 
   C  49    6.4641    14.2671     2.0458    21.9069    21.1527     3.5182 
   C  50   14.2671     6.4641    21.9069     2.0458     3.5182    21.1527 
   C  51    7.4641    15.2665     1.7455    22.9018    22.1352     3.6453 
   C  52   15.2665     7.4641    22.9018     1.7455     3.6453    22.1352 
   C  53    7.6625    15.3080     3.4769    22.7974    21.8872     5.3361 
   C  54   15.3080     7.6625    22.7974     3.4769     5.3361    21.8872 
   C  55   15.7626     8.0111    23.3323     2.6455     4.6191    22.4895 
   C  56    8.0111    15.7626     2.6455    23.3323    22.4895     4.6191 
   C  57    1.0000     6.9282     8.6940    14.5663    13.8903     8.3987 
   C  58    6.9282     1.0000    14.5663     8.6940     8.3987    13.8903 
   C  59    8.4494    16.1332     1.0000    23.8628    23.3021     1.7779 
   C  60   16.1332     8.4494    23.8628     1.0000     1.7779    23.3021 
   C  61    7.4346    14.6382     3.0482    22.3388    21.9779     1.0000 
   C  62   14.6382     7.4346    22.3388     3.0482     1.0000    21.9779 
   C  63    1.7320     6.0827     9.4281    13.7794    13.1978     8.9607 
   C  64    6.0827     1.7320    13.7794     9.4281     8.9607    13.1978 
   C  65    5.1961     2.6457    12.8484    10.3769     9.9542    12.2226 
   C  66    2.6457     5.1961    10.3769    12.8484    12.2226     9.9542 
   C  67   16.8139     9.0059    24.4900     1.6788     3.6138    23.7746 
   C  68    9.0058    16.8138     1.6788    24.4899    23.7745     3.6138 
   C  69   15.5435     8.2288    22.8242     5.2088     7.0471    21.7745 
   C  70    8.2288    15.5436     5.2087    22.8243    21.7746     7.0470 
   C  71   17.3022     9.6213    24.7969     3.9764     6.0245    23.8772 
   C  72    9.6213    17.3022     3.9764    24.7969    23.8772     6.0245 
   C  73    4.3589     3.4641    12.0738    11.1348    10.5756    11.5600 
   C  74    3.4641     4.3589    11.1348    12.0738    11.5600    10.5756 
   H  75    4.1887    11.9484     4.0770    19.5563    18.7829     4.6892 
   H  76   11.9484     4.1887    19.5563     4.0770     4.6892    18.7829 
   H  77    2.7919    10.4336     5.0669    18.1588    17.6038     4.6086 
   H  78    2.5327    10.3288     5.2032    18.0218    17.3813     5.0464 
   H  79   10.4336     2.7919    18.1588     5.0669     4.6086    17.6038 
   H  80   10.3288     2.5327    18.0218     5.2032     5.0464    17.3813 
   H  81   10.0051     2.4060    17.5730     5.9868     6.2257    16.7812 
   H  82   10.8013     3.1513    18.3681     5.2891     5.7030    17.5656 
   H  83    2.4060    10.0051     5.9868    17.5730    16.7812     6.2257 
   H  84    3.1513    10.8013     5.2891    18.3681    17.5656     5.7030 
   H  85    4.2715    11.7161     4.0064    19.4480    18.9732     3.1638 
   H  86    3.4760    10.9519     4.6561    18.6845    18.1898     3.9544 
   H  87   11.7161     4.2715    19.4480     4.0064     3.1638    18.9732 
   H  88   10.9519     3.4760    18.6845     4.6561     3.9544    18.1898 
   H  89   10.6501     3.0148    18.2142     5.4331     5.8176    17.4111 
   H  90   11.3139     3.8243    18.8020     5.2798     5.9726    17.9286 
   H  91   11.8888     4.2047    19.4514     4.4077     5.1277    18.6335 
   H  92    3.0148    10.6501     5.4331    18.2142    17.4111     5.8176 
   H  93    3.8243    11.3139     5.2798    18.8020    17.9286     5.9726 
   H  94    4.2047    11.8888     4.4077    19.4514    18.6335     5.1277 
   H  95   12.1893     4.5122    19.7434     4.2307     5.0647    18.9147 
   H  96   12.9030     5.2824    20.4137     4.0537     5.1973    19.5412 
   H  97    4.5122    12.1894     4.2306    19.7435    18.9148     5.0646 
   H  98    5.2824    12.9030     4.0537    20.4137    19.5412     5.1973 
   H  99    2.1829     9.9725     5.5498    17.6686    17.0371     5.3322 
   H 100    1.4155     9.1796     6.3284    16.8814    16.2696     6.0040 
   H 101    9.9725     2.1829    17.6686     5.5498     5.3322    17.0371 
   H 102    9.1796     1.4155    16.8814     6.3284     6.0040    16.2696 
   H 103   14.1268     6.3170    21.7870     1.8858     3.2147    21.0621 
   H 104    6.3170    14.1268     1.8858    21.7870    21.0621     3.2147 
   H 105   12.9802     5.6347    20.7042     3.2147     1.8858    20.2770 
   H 106    5.6347    12.9802     3.2147    20.7042    20.2770     1.8858 
   H 107    8.2753     1.0813    15.8459     7.5709     7.5291    15.0811 
   H 108    9.0713     1.5969    16.6406     6.8330     6.9059    15.8626 
   H 109    1.0813     8.2753     7.5709    15.8459    15.0811     7.5291 
   H 110    1.5969     9.0713     6.8330    16.6406    15.8626     6.9059 
   H 111   14.0600     6.5591    21.4816     4.2435     5.7978    20.5321 
   H 112    6.5591    14.0600     4.2435    21.4816    20.5321     5.7978 
   H 113   13.9868     6.1775    21.6609     1.8329     3.0021    20.9585 
   H 114    6.1775    13.9868     1.8329    21.6609    20.9585     3.0021 
   H 115   16.6037     8.8746    24.3274     1.1766     2.3978    23.7312 
   H 116   16.5491     8.9211    24.2816     1.6200     1.8772    23.7574 
   H 117   15.6730     8.0494    23.4054     1.1766     1.1580    22.8817 
   H 118    8.8746    16.6037     1.1766    24.3274    23.7312     2.3978 
   H 119    8.9211    16.5491     1.6200    24.2816    23.7574     1.8772 
   H 120    8.0494    15.6730     1.1766    23.4054    22.8817     1.1580 
   H 121    8.0516    15.2478     3.1122    22.9434    22.5924     1.1767 
   H 122    7.5236    14.5355     3.6682    22.2079    21.9029     1.6200 
   H 123    6.8182    14.0295     3.1091    21.7350    21.3637     1.1767 
   H 124   15.2478     8.0516    22.9434     3.1122     1.1767    22.5924 
   H 125   14.5355     7.5236    22.2079     3.6682     1.6200    21.9029 
   H 126   14.0295     6.8182    21.7350     3.1091     1.1767    21.3637 
   H 127    1.4155     6.5338     8.9572    14.2557    13.7260     8.4124 
   H 128    2.1829     5.7469     9.7469    13.4741    12.9755     9.1600 
   H 129    6.5338     1.4155    14.2557     8.9572     8.4124    13.7260 
   H 130    5.7469     2.1829    13.4741     9.7469     9.1600    12.9755 
   H 131    4.8211     3.1512    12.3961    10.8753    10.5141    11.7092 
   H 132    5.6148     2.4059    13.1892    10.1055     9.7994    12.4806 
   H 133    3.1512     4.8211    10.8753    12.3961    11.7092    10.5141 
   H 134    2.4059     5.6148    10.1055    13.1892    12.4806     9.7994 
   H 135    8.9675    16.7749     2.0716    24.4189    23.6550     4.0905 
   H 136    9.6232    17.4319     2.2309    25.1050    24.3817     4.0605 
   H 137    9.0864    16.8755     1.4539    24.5763    23.9096     3.1868 
   H 138   16.7749     8.9675    24.4189     2.0716     4.0905    23.6550 
   H 139   17.4319     9.6232    25.1050     2.2309     4.0605    24.3817 
   H 140   16.8756     9.0865    24.5764     1.4540     3.1868    23.9097 
   H 141    7.6115    14.9587     4.9357    22.2732    21.2481     6.6852 
   H 142    8.1970    15.3528     5.7577    22.5501    21.4575     7.5466 
   H 143    8.8465    16.1310     5.5380    23.3787    22.3058     7.4431 
   H 144   14.9587     7.6115    22.2732     4.9357     6.6852    21.2481 
   H 145   15.3528     8.1970    22.5501     5.7577     7.5466    21.4575 
   H 146   16.1309     8.8465    23.3786     5.5380     7.4431    22.3057 
   H 147    9.1578    16.7923     4.0346    24.2555    23.3144     6.0630 
   H 148   10.0340    17.6571     4.5964    25.1016    24.1409     6.6444 
   H 149   10.1016    17.8191     4.0143    25.3419    24.4427     6.0495 
   H 150   16.7923     9.1578    24.2555     4.0346     6.0630    23.3144 
   H 151   17.6571    10.0340    25.1016     4.5964     6.6444    24.1409 
   H 152   17.8191    10.1016    25.3419     4.0143     6.0495    24.4427 
   H 153    4.4726     3.5191    12.2043    11.0547    10.3858    11.7899 
   H 154    3.5191     4.4726    11.0547    12.2043    11.7899    10.3858 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8   23.8272     0.0000 
   O   9    3.4641    23.7544     0.0000 
   O  10   23.7544     3.4641    24.1828     0.0000 
   O  11    2.0000    24.7274     2.0000    24.8995     0.0000 
   O  12   24.7274     2.0000    24.8995     2.0000    25.7519     0.0000 
   O  13    9.1416    14.8929     8.8981    15.3208     9.8505    16.0015 
   O  14   14.8929     9.1416    15.3208     8.8981    16.0015     9.8505 
   N  15    4.5826    19.2709     5.1962    19.3366     5.5677    20.2257 
   N  16   19.2709     4.5826    19.3366     5.1962    20.2257     5.5677 
   C  17   20.2685     3.6055    20.3310     4.3589    21.2255     4.5826 
   C  18    3.6055    20.2685     4.3589    20.3310     4.5826    21.2255 
   C  19    5.0000    18.8550     6.0828    18.7629     6.2450    19.7287 
   C  20   18.8550     5.0000    18.7629     6.0828    19.7287     6.2450 
   C  21   18.3768     5.5371    18.5394     5.7616    19.3757     6.3765 
   C  22    5.5371    18.3768     5.7616    18.5394     6.3765    19.3757 
   C  23    3.0000    20.8422     4.5826    20.7590     4.3589    21.7281 
   C  24   20.8423     2.9999    20.7591     4.5826    21.7282     4.3589 
   C  25    4.5826    19.4704     6.2450    19.2259     6.0828    20.2685 
   C  26   19.4704     4.5826    19.2259     6.2450    20.2685     6.0828 
   C  27    4.8715    19.2259     4.7754    19.4705     5.5016    20.2685 
   C  28   19.2259     4.8715    19.4705     4.7754    20.2685     5.5016 
   C  29   20.7284     3.4641    20.9333     3.4641    21.7573     4.0000 
   C  30    3.4641    20.7284     3.4641    20.9333     4.0000    21.7573 
   C  31   20.4584     3.6055    20.2258     5.5678    21.2664     5.1961 
   C  32    3.6056    20.4583     5.5678    20.2257     5.1962    21.2663 
   C  33    6.2919    17.5436     6.7519    17.6158     7.2837    18.4940 
   C  34   17.5436     6.2919    17.6158     6.7519    18.4940     7.2837 
   C  35   21.8765     1.9585    21.7997     3.9654    22.7691     3.4201 
   C  36    1.9585    21.8765     3.9654    21.7997     3.4201    22.7691 
   C  37    2.6458    21.7281     2.6458    21.9237     3.0000    22.7557 
   C  38   21.7282     2.6457    21.9238     2.6457    22.7558     2.9999 
   C  39   21.1132     3.4804    20.7364     6.0348    21.8481     5.3153 
   C  40    3.4804    21.1132     6.0348    20.7364     5.3153    21.8481 
   C  41   16.6469     7.2283    16.8262     7.4017    17.6456     8.1063 
   C  42    7.2283    16.6469     7.4017    16.8262     8.1063    17.6456 
   C  43    1.6807    22.5082     4.5755    22.2945     3.5695    23.3327 
   C  44   22.5082     1.6807    22.2945     4.5755    23.3327     3.5695 
   C  45   22.1382     2.6441    21.7779     5.5992    22.8852     4.5907 
   C  46    2.6441    22.1382     5.5992    21.7779     4.5907    22.8852 
   C  47   22.2255     2.9999    22.5501     1.7320    23.3170     2.6457 
   C  48    3.0000    22.2254     1.7321    22.5501     2.6458    23.3170 
   C  49   22.2644     1.7320    22.3213     3.0000    23.2253     2.6457 
   C  50    1.7320    22.2644     3.0000    22.3213     2.6457    23.2253 
   C  51   23.2625     1.0000    23.3170     2.6457    24.2252     1.7320 
   C  52    1.0000    23.2625     2.6457    23.3170     1.7320    24.2252 
   C  53   23.2253     2.6457    23.5362     1.0000    24.3131     1.7320 
   C  54    2.6457    23.2253     1.0000    23.5362     1.7320    24.3131 
   C  55    1.7320    23.7277     1.7320    23.9069     1.0000    24.7531 
   C  56   23.7277     1.7320    23.9069     1.7320    24.7531     1.0000 
   C  57   14.9174     8.9352    15.1172     9.0760    15.9158     9.8369 
   C  58    8.9352    14.9174     9.0760    15.1172     9.8369    15.9158 
   C  59   24.1246     1.7437    23.8005     5.2068    24.8962     3.5959 
   C  60    1.7437    24.1246     5.2068    23.8005     3.5959    24.8962 
   C  61   22.5105     4.0246    21.8838     7.2496    23.1157     6.0244 
   C  62    4.0246    22.5105     7.2496    21.8838     6.0244    23.1157 
   C  63   14.0926     9.7347    14.1823    10.0382    15.0307    10.7311 
   C  64    9.7347    14.0926    10.0382    14.1823    10.7311    15.0307 
   C  65   10.6501    13.1887    10.7686    13.4143    11.5680    14.1867 
   C  66   13.1887    10.6501    13.4143    10.7686    14.1867    11.5680 
   C  67    1.0001    24.8230     3.6056    24.7532     1.7321    25.7273 
   C  68   24.8229     1.0000    24.7531     3.6055    25.7272     1.7320 
   C  69    4.3589    23.3170     1.0001    23.8792     3.0000    24.5233 
   C  70   23.3170     4.3589    23.8793     1.0000    24.5234     2.9999 
   C  71    3.0000    25.2250     1.7320    25.5116     1.0000    26.3062 
   C  72   25.2250     3.0000    25.5116     1.7320    26.3062     1.0000 
   C  73   11.4609    12.3699    11.7198    12.4720    12.4583    13.2992 
   C  74   12.3699    11.4609    12.4720    11.7198    13.2992    12.4583 
   H  75   19.9297     4.0601    20.0860     4.3318    20.9319     4.8212 
   H  76    4.0601    19.9297     4.3318    20.0860     4.8212    20.9319 
   H  77   18.4361     5.4894    18.2665     6.7004    19.2684     6.8165 
   H  78   18.3393     5.4894    18.3202     6.2748    19.2477     6.6108 
   H  79    5.4894    18.4361     6.7004    18.2665     6.8165    19.2684 
   H  80    5.4894    18.3393     6.2748    18.3202     6.6108    19.2477 
   H  81    6.0513    17.9621     5.9887    18.2190     6.7654    19.0053 
   H  82    5.2976    18.7590     5.2259    19.0051     5.9684    19.8004 
   H  83   17.9621     6.0513    18.2190     5.9887    19.0053     6.7654 
   H  84   18.7590     5.2976    19.0051     5.2259    19.8004     5.9684 
   H  85   19.6827     4.6338    19.3317     6.6108    20.4260     6.2747 
   H  86   18.9314     5.1956    18.6405     6.8164    19.7031     6.7003 
   H  87    4.6338    19.6827     6.6108    19.3317     6.2747    20.4260 
   H  88    5.1956    18.9314     6.8164    18.6405     6.7003    19.7031 
   H  89    5.4494    18.6060     5.3636    18.8587     6.1214    19.6500 
   H  90    5.1410    19.2241     4.6051    19.5788     5.5514    20.3197 
   H  91    4.3054    19.8457     4.1963    20.0828     4.8819    20.8871 
   H  92   18.6060     5.4494    18.8587     5.3636    19.6500     6.1214 
   H  93   19.2241     5.1410    19.5788     4.6051    20.3197     5.5514 
   H  94   19.8457     4.3054    20.0828     4.1963    20.8871     4.8819 
   H  95    4.0761    20.1418     3.8918    20.3887     4.5875    21.1890 
   H  96    3.7220    20.8304     3.1022    21.1346     3.9399    21.9077 
   H  97   20.1419     4.0760    20.3888     3.8917    21.1891     4.5875 
   H  98   20.8304     3.7220    21.1346     3.1022    21.9077     3.9399 
   H  99   17.9833     5.8466    17.9624     6.5935    18.8892     6.9639 
   H 100   17.1907     6.6421    17.1687     7.3081    18.0921     7.7475 
   H 101    5.8466    17.9833     6.5935    17.9624     6.9639    18.8892 
   H 102    6.6421    17.1907     7.3081    17.1687     7.7475    18.0921 
   H 103    1.7458    22.1312     3.3455    22.1401     2.9034    23.0677 
   H 104   22.1312     1.7458    22.1401     3.3455    23.0677     2.9034 
   H 105    4.0354    20.9121     6.6546    20.4415     5.9079    21.5966 
   H 106   20.9121     4.0354    20.4415     6.6546    21.5966     5.9079 
   H 107    7.7193    16.2305     7.6703    16.5143     8.4973    17.2779 
   H 108    6.9478    17.0274     6.8933    17.2981     7.7002    18.0727 
   H 109   16.2305     7.7193    16.5143     7.6703    17.2779     8.4973 
   H 110   17.0274     6.9478    17.2981     6.8933    18.0727     7.7002 
   H 111    3.6200    21.9310     1.8397    22.3434     3.1408    23.0634 
   H 112   21.9310     3.6200    22.3434     1.8397    23.0634     3.1408 
   H 113    1.8396    21.9949     3.6200    21.9680     3.1407    22.9131 
   H 114   21.9949     1.8396    21.9680     3.6200    22.9131     3.1407 
   H 115    1.5542    24.6048     4.9319    24.3316     3.1864    25.4041 
   H 116    2.3102    24.5253     5.7549    24.1298     4.0569    25.2603 
   H 117    2.1058    23.6510     5.5378    23.2739     4.0592    24.3934 
   H 118   24.6048     1.5542    24.3316     4.9319    25.4041     3.1864 
   H 119   24.5253     2.3102    24.1298     5.7549    25.2603     4.0569 
   H 120   23.6510     2.1058    23.2739     5.5378    24.3934     4.0592 
   H 121   23.1087     4.0839    22.4506     7.4297    23.6985     6.0650 
   H 122   22.3535     4.6445    21.6367     7.8513    22.9089     6.6444 
   H 123   21.9134     4.0603    21.3199     7.1193    22.5349     6.0476 
   H 124    4.0839    23.1087     7.4297    22.4506     6.0650    23.6985 
   H 125    4.6445    22.3535     7.8513    21.6367     6.6444    22.9089 
   H 126    4.0603    21.9134     7.1193    21.3199     6.0476    22.5349 
   H 127   14.5418     9.3058    14.5159     9.7923    15.4252    10.3845 
   H 128   13.7515    10.1023    13.7240    10.5521    14.6281    11.1755 
   H 129    9.3058    14.5418     9.7923    14.5159    10.3845    15.4252 
   H 130   10.1023    13.7515    10.5521    13.7240    11.1755    14.6281 
   H 131   11.1142    12.7677    11.0802    13.1265    11.9612    13.8269 
   H 132   10.3290    13.5644    10.2924    13.9027    11.1641    14.6204 
   H 133   12.7677    11.1142    13.1265    11.0802    13.8269    11.9612 
   H 134   13.5644    10.3290    13.9027    10.2924    14.6204    11.1641 
   H 135   24.7749     1.1766    24.7917     3.0148    25.7227     1.1121 
   H 136   25.4405     1.6200    25.3724     3.8242    26.3472     1.8397 
   H 137   24.8863     1.1766    24.7300     4.2047    25.7467     2.3520 
   H 138    1.1766    24.7749     3.0148    24.7917     1.1121    25.7227 
   H 139    1.6200    25.4405     3.8242    25.3724     1.8397    26.3472 
   H 140    1.1767    24.8864     4.2047    24.7301     2.3521    25.7468 
   H 141   22.7558     4.1517    23.2856     1.1767    23.9456     3.0634 
   H 142   23.0634     4.9340    23.7103     1.6200    24.3079     3.6200 
   H 143   23.8811     4.6402    24.4743     1.1766    25.1031     3.0633 
   H 144    4.1517    22.7558     1.1767    23.2856     3.0634    23.9456 
   H 145    4.9340    23.0634     1.6200    23.7103     3.6200    24.3079 
   H 146    4.6403    23.8810     1.1766    24.4742     3.0634    25.1030 
   H 147   24.6947     3.0634    25.0303     1.1120    25.7981     1.1766 
   H 148   25.5483     3.6200    25.9032     1.8396    26.6629     1.6200 
   H 149   25.7594     3.0634    25.9988     2.3520    26.8190     1.1766 
   H 150    3.0634    24.6947     1.1120    25.0303     1.1766    25.7981 
   H 151    3.6200    25.5483     1.8396    25.9032     1.6200    26.6629 
   H 152    3.0634    25.7594     2.3520    25.9988     1.1766    26.8190 
   H 153   11.4308    12.4536    11.8726    12.3828    12.5167    13.2966 
   H 154   12.4536    11.4308    12.3828    11.8726    13.2966    12.5167 

              O  13      O  14      N  15      N  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    6.5575     0.0000 
   N  15    4.5826    10.4403     0.0000 
   N  16   10.4403     4.5826    14.7309     0.0000 
   C  17   11.4361     5.5371    15.7304     1.0000     0.0000 
   C  18    5.5371    11.4361     1.0000    15.7304    16.7299     0.0000 
   C  19    4.5020     9.8932     1.0000    14.2879    15.2836     1.7320 
   C  20    9.8932     4.5020    14.2879     1.0000     1.7320    15.2836 
   C  21    9.6437     3.6055    13.8564     1.0000     1.9318    14.8564 
   C  22    3.6055     9.6437     1.0000    13.8564    14.8564     1.9318 
   C  23    6.2919    11.8930     1.7320    16.2798    17.2765     1.0000 
   C  24   11.8931     6.2920    16.2799     1.7321     1.0001    17.2765 
   C  25    5.4033    10.4180     1.7320    14.8906    15.8800     2.0000 
   C  26   10.4180     5.4033    14.8906     1.7320     2.0000    15.8800 
   C  27    4.3589    10.5830     1.0000    14.7309    15.7303     1.4142 
   C  28   10.5830     4.3589    14.7309     1.0000     1.4142    15.7303 
   C  29   12.0378     5.8645    16.2265     1.7320     1.0000    17.2263 
   C  30    5.8645    12.0378     1.7320    16.2265    17.2263     1.0000 
   C  31   11.4159     6.2335    15.8801     2.0000     1.7321    16.8708 
   C  32    6.2334    11.4158     2.0000    15.8800    16.8707     1.7320 
   C  33    3.0000     8.7178     1.7320    13.0000    13.9993     2.7320 
   C  34    8.7178     3.0000    13.0000     1.7320     2.7320    13.9993 
   C  35   12.9347     7.2624    17.3167     2.6799     1.7603    18.3138 
   C  36    7.2624    12.9347     2.6799    17.3167    18.3138     1.7603 
   C  37    6.8594    13.0266     2.6457    17.2263    18.2260     1.7320 
   C  38   13.0267     6.8595    17.2264     2.6458     1.7321    18.2261 
   C  39   12.0119     7.1573    16.5306     3.0416     2.6903    17.5134 
   C  40    7.1573    12.0119     3.0416    16.5306    17.5134     2.6903 
   C  41    7.9373     2.0000    12.1244     2.6457     3.6326    13.1243 
   C  42    2.0000     7.9373     2.6457    12.1244    13.1243     3.6326 
   C  43    8.0809    13.4824     3.5322    17.9332    18.9257     2.7088 
   C  44   13.4824     8.0809    17.9332     3.5322     2.7088    18.9257 
   C  45   13.0456     8.0336    17.5558     3.6767     3.0694    18.5405 
   C  46    8.0336    13.0456     3.6767    17.5558    18.5405     3.0694 
   C  47   13.6682     7.3338    17.7652     3.4641     2.6458    18.7629 
   C  48    7.3337    13.6681     3.4641    17.7652    18.7629     2.6457 
   C  49   13.4296     7.4820    17.7295     3.0000     2.0000    18.7291 
   C  50    7.4820    13.4296     3.0000    17.7295    18.7291     2.0000 
   C  51   14.4270     8.4641    18.7291     4.0000     3.0000    19.7287 
   C  52    8.4641    14.4270     4.0000    18.7291    19.7287     3.0000 
   C  53   14.6494     8.3334    18.7629     4.3589     3.4641    19.7609 
   C  54    8.3334    14.6494     4.3589    18.7629    19.7609     3.4641 
   C  55    8.8528    15.0088     4.5826    19.2259    20.2257     3.6056 
   C  56   15.0088     8.8528    19.2259     4.5826     3.6056    20.2257 
   C  57    6.2450     1.0001    10.3923     4.3589     5.3535    11.3923 
   C  58    1.0001     6.2450     4.3589    10.3923    11.3923     5.3535 
   C  59   15.0511     9.8049    19.5438     5.2642     4.4234    20.5316 
   C  60    9.8049    15.0511     5.2642    19.5438    20.5316     4.4234 
   C  61   13.3690     9.0456    17.9412     5.0659     4.6454    18.9054 
   C  62    9.0456    13.3690     5.0659    17.9412    18.9054     4.6454 
   C  63    5.2915     1.7321     9.5394     5.1962     6.1961    10.5381 
   C  64    1.7321     5.2915     5.1962     9.5394    10.5381     6.1961 
   C  65    2.0000     4.5826     6.0828     8.6602     9.6602     7.0798 
   C  66    4.5826     2.0000     8.6602     6.0828     7.0798     9.6602 
   C  67   10.1109    15.8929     5.5678    20.2686    21.2664     4.5826 
   C  68   15.8928    10.1108    20.2685     5.5677     4.5826    21.2663 
   C  69    8.5585    15.0687     5.2915    18.9556    19.9439     4.5826 
   C  70   15.0688     8.5586    18.9557     5.2915     4.5826    19.9439 
   C  71   10.3327    16.6184     6.2450    20.7590    21.7573     5.2915 
   C  72   16.6184    10.3327    20.7590     6.2450     5.2915    21.7573 
   C  73    3.0000     3.6056     6.9282     7.8102     8.8084     7.9282 
   C  74    3.6056     3.0000     7.8102     6.9282     7.9282     8.8084 
   H  75   11.1884     5.1117    15.4125     0.8743     0.6200    16.4125 
   H  76    5.1117    11.1884     0.8743    15.4125    16.4125     0.6200 
   H  77    9.4210     4.3474    13.8602     1.5967     2.3451    14.8526 
   H  78    9.4324     3.8895    13.7815     1.0812     2.0295    14.7792 
   H  79    4.3474     9.4210     1.5967    13.8602    14.8526     2.3451 
   H  80    3.8895     9.4324     1.0812    13.7815    14.7792     2.0295 
   H  81    3.1102     9.3390     1.5967    13.4663    14.4657     2.4655 
   H  82    3.8982    10.1195     1.0812    14.2629    15.2623     1.7618 
   H  83    9.3390     3.1102    13.4663     1.5967     2.4655    14.4657 
   H  84   10.1195     3.8982    14.2629     1.0812     1.7618    15.2623 
   H  85   10.5855     5.8703    15.1001     2.3451     2.5068    16.0833 
   H  86    9.8551     5.0898    14.3495     2.0295     2.5068    15.3358 
   H  87    5.8703    10.5855     2.3451    15.1001    16.0833     2.5068 
   H  88    5.0898     9.8551     2.0295    14.3495    15.3358     2.5068 
   H  89    3.7437     9.9749     1.1766    14.1113    15.1107     1.9037 
   H  90    4.3318    10.7175     1.6200    14.7650    15.7623     1.9038 
   H  91    4.9753    11.1924     1.1766    15.3505    16.3500     1.0698 
   H  92    9.9749     3.7437    14.1113     1.1766     1.9037    15.1107 
   H  93   10.7175     4.3318    14.7650     1.6200     1.9038    15.7623 
   H  94   11.1924     4.9753    15.3505     1.1766     1.0698    16.3500 
   H  95    5.2644    11.4990     1.4155    15.6504    16.6498     1.0812 
   H  96    5.9378    12.2529     2.1829    16.3593    17.3576     1.5967 
   H  97   11.4991     5.2645    15.6505     1.4155     1.0812    16.6499 
   H  98   12.2529     5.9378    16.3593     2.1829     1.5967    17.3576 
   H  99    9.0740     3.5889    13.4243     1.4156     2.3814    14.4219 
   H 100    8.2784     2.9561    12.6295     2.1829     3.1664    13.6267 
   H 101    3.5889     9.0740     1.4156    13.4243    14.4219     2.3814 
   H 102    2.9561     8.2784     2.1829    12.6295    13.6267     3.1664 
   H 103    7.4000    13.2556     2.8620    17.5863    18.5853     1.8710 
   H 104   13.2556     7.4000    17.5863     2.8620     1.8710    18.5853 
   H 105    7.2345    11.7855     3.3912    16.3320    17.3078     3.1811 
   H 106   11.7855     7.2345    16.3320     3.3912     3.1811    17.3078 
   H 107    1.4332     7.6549     3.1512    11.7354    12.7347     4.1138 
   H 108    2.1944     8.4275     2.4059    12.5319    13.5313     3.3447 
   H 109    7.6549     1.4332    11.7354     3.1512     4.1138    12.7347 
   H 110    8.4275     2.1944    12.5319     2.4059     3.3447    13.5313 
   H 111    7.0621    13.4846     3.5191    17.5020    18.4972     2.8292 
   H 112   13.4846     7.0621    17.5020     3.5191     2.8292    18.4972 
   H 113    7.3097    13.0905     2.7431    17.4433    18.4416     1.7733 
   H 114   13.0905     7.3097    17.4433     2.7431     1.7733    18.4416 
   H 115   10.1732    15.5547     5.6006    20.0269    21.0175     4.7065 
   H 116   10.3188    15.4267     5.8090    19.9428    20.9268     4.9975 
   H 117    9.4629    14.5564     4.9824    19.0686    20.0531     4.2132 
   H 118   15.5547    10.1732    20.0269     5.6006     4.7065    21.0175 
   H 119   15.4267    10.3188    19.9428     5.8090     4.9975    20.9268 
   H 120   14.5564     9.4629    19.0686     4.9824     4.2132    20.0531 
   H 121   13.9672     9.6561    18.5423     5.6131     5.1334    19.5043 
   H 122   13.2161     9.1771    17.7969     5.3997     5.0693    18.7518 
   H 123   12.7728     8.4364    17.3415     4.5376     4.1926    18.3080 
   H 124    9.6561    13.9672     5.6131    18.5423    19.5043     5.1334 
   H 125    9.1771    13.2161     5.3997    17.7969    18.7518     5.0693 
   H 126    8.4364    12.7728     4.5376    17.3415    18.3080     4.1926 
   H 127    5.6193     2.0295     9.9726     4.8211     5.8170    10.9682 
   H 128    4.8262     2.3452     9.1796     5.6149     6.6118    10.1745 
   H 129    2.0295     5.6193     4.8211     9.9726    10.9682     5.8170 
   H 130    2.3452     4.8262     5.6149     9.1796    10.1745     6.6118 
   H 131    2.1943     4.3998     6.5338     8.2754     9.2739     7.5241 
   H 132    1.4332     5.1245     5.7469     9.0713    10.0700     6.7345 
   H 133    4.3998     2.1943     8.2754     6.5338     7.5241     9.2739 
   H 134    5.1245     1.4332     9.0713     5.7469     6.7345    10.0700 
   H 135   15.9102     9.9840    20.2362     5.5055     4.5068    21.2355 
   H 136   16.5129    10.7146    20.8872     6.1810     5.1928    21.8851 
   H 137   15.8997    10.2736    20.3197     5.6972     4.7390    21.3151 
   H 138    9.9840    15.9102     5.5055    20.2362    21.2355     4.5068 
   H 139   10.7146    16.5129     6.1810    20.8872    21.8851     5.1928 
   H 140   10.2737    15.8998     5.6973    20.3198    21.3152     4.7391 
   H 141   14.4647     7.9668    18.3781     4.6842     4.0019    19.3682 
   H 142   14.9440     8.4010    18.7423     5.4428     4.8212    19.7256 
   H 143   15.6740     9.1540    19.5357     5.9015     5.1724    20.5222 
   H 144    7.9668    14.4647     4.6842    18.3781    19.3682     4.0019 
   H 145    8.4010    14.9440     5.4428    18.7423    19.7256     4.8212 
   H 146    9.1540    15.6740     5.9014    19.5356    20.5221     5.1724 
   H 147   16.1446     9.8081    20.2443     5.8322     4.9080    21.2415 
   H 148   17.0192    10.6678    21.1067     6.7055     5.7745    22.1033 
   H 149   17.1016    10.8673    21.2793     6.6898     5.7166    22.2784 
   H 150    9.8081    16.1446     5.8322    20.2443    21.2415     4.9080 
   H 151   10.6678    17.0192     6.7055    21.1067    22.1033     5.7745 
   H 152   10.8673    17.1016     6.6898    21.2793    22.2784     5.7166 
   H 153    3.3533     3.4849     6.9559     7.8743     8.8653     7.9524 
   H 154    3.4849     3.3533     7.8743     6.9559     7.9524     8.8653 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20   13.9028     0.0000 
   C  21   13.3845     1.4142     0.0000 
   C  22    1.4142    13.3845    13.0000     0.0000 
   C  23    2.0000    15.8800    15.3808     2.7320     0.0000 
   C  24   15.8801     2.0000     2.7321    15.3808    17.8624     0.0000 
   C  25    1.0000    14.5559    13.9642     2.3942     1.7320    16.5156 
   C  26   14.5559     1.0000     2.3942    13.9642    16.5155     1.7321 
   C  27    1.9318    14.2271    13.8924     1.0000     2.3941    16.2266 
   C  28   14.2271     1.9318     1.0000    13.8924    16.2265     2.3942 
   C  29   15.7304     2.6457     2.3942    15.3808    17.7294     1.7321 
   C  30    2.6457    15.7304    15.3808     2.3942     1.7320    17.7295 
   C  31   15.5345     1.7321     2.9094    14.9571    17.4989     1.0000 
   C  32    1.7320    15.5344    14.9570     2.9093     1.0000    17.4989 
   C  33    1.5060    12.5649    12.1244     1.0000     3.3460    14.5547 
   C  34   12.5649     1.5060     1.0000    12.1244    14.5546     3.3461 
   C  35   16.9098     3.0416     3.6652    16.4199    18.8943     1.0416 
   C  36    3.0416    16.9098    16.4199     3.6652     1.0417    18.8944 
   C  37    3.4641    16.7299    16.3793     3.3858     2.0000    18.7291 
   C  38   16.7299     3.4641     3.3859    16.3794    18.7291     2.0000 
   C  39   16.2319     2.6799     3.9374    15.5888    18.1766     1.7761 
   C  40    2.6799    16.2319    15.5888     3.9374     1.7761    18.1767 
   C  41   11.6566     2.5036     1.7320    11.2694    13.6518     4.3198 
   C  42    2.5036    11.6566    11.2694     1.7320     4.3197    13.6519 
   C  43    3.6767    17.5699    17.0157     4.5321     1.8002    19.5415 
   C  44   17.5699     3.6767     4.5321    17.0157    19.5414     1.8001 
   C  45   17.2451     3.5322     4.6456    16.6176    19.1957     2.0693 
   C  46    3.5322    17.2451    16.6176     4.6456     2.0694    19.1958 
   C  47   17.2264     4.3589     4.0576    16.9452    19.2259     3.0000 
   C  48    4.3589    17.2263    16.9451     4.0576     3.0000    19.2259 
   C  49   17.2765     3.6056     3.8982    16.8564    19.2709     1.7320 
   C  50    3.6056    17.2765    16.8564     3.8982     1.7321    19.2710 
   C  51   18.2736     4.5826     4.8916    17.8564    20.2685     2.6457 
   C  52    4.5826    18.2736    17.8564     4.8916     2.6458    20.2686 
   C  53   18.2261     5.1962     5.0196    17.9402    20.2257     3.6055 
   C  54    5.1962    18.2261    17.9402     5.0196     3.6056    20.2258 
   C  55    5.2915    18.7291    18.3768     5.3785     3.4641    20.7285 
   C  56   18.7291     5.2915     5.3785    18.3768    20.7284     3.4641 
   C  57    9.9301     4.0664     3.4641     9.5394    11.9237     5.9881 
   C  58    4.0664     9.9301     9.5394     3.4641     5.9880    11.9238 
   C  59   19.2106     5.3634     6.2642    18.6127    21.1713     3.5321 
   C  60    5.3634    19.2106    18.6127     6.2642     3.5322    21.1714 
   C  61   17.7223     4.6492     5.9538    16.9736    19.6249     3.6671 
   C  62    4.6492    17.7223    16.9736     5.9538     3.6672    19.6250 
   C  63    9.1291     4.7753     4.3589     8.6602    11.1105     6.7520 
   C  64    4.7753     9.1291     8.6602     4.3589     6.7519    11.1106 
   C  65    5.7275     8.2061     7.8102     5.1962     7.6845    10.1971 
   C  66    8.2061     5.7275     5.1962     7.8102    10.1970     7.6846 
   C  67    6.0000    19.8484    19.3758     6.5110     4.0001    21.8369 
   C  68   19.8483     6.0000     6.5109    19.3757    21.8367     3.9999 
   C  69    6.2450    18.3428    18.1893     5.6977     5.0000    20.3310 
   C  70   18.3429     6.2450     5.6978    18.1894    20.3310     5.0000 
   C  71    7.0000    20.2257    19.9318     6.9757     5.1962    22.2255 
   C  72   20.2257     7.0000     6.9757    19.9318    22.2254     5.1961 
   C  73    6.4863     7.4210     6.9282     6.0828     8.4725     9.3941 
   C  74    7.4210     6.4863     6.0828     6.9282     9.3940     8.4726 
   H  75   14.9355     1.8397     1.5565    14.5563    16.9327     1.6200 
   H  76    1.8397    14.9355    14.5563     1.5565     1.6199    16.9328 
   H  77   13.5061     0.6200     1.7679    12.9433    15.4727     2.5069 
   H  78   13.3738     0.6200     0.9736    12.8899    15.3573     2.5069 
   H  79    0.6200    13.5061    12.9433     1.7679     2.5068    15.4727 
   H  80    0.6200    13.3738    12.8899     0.9736     2.5068    15.3574 
   H  81    1.9934    12.9638    12.6296     0.6200     3.3214    14.9631 
   H  82    1.8413    13.7605    13.4244     0.6200     2.6944    15.7599 
   H  83   12.9638     1.9934     0.6200    12.6296    14.9630     3.3215 
   H  84   13.7605     1.8413     0.6200    13.4244    15.7598     2.6945 
   H  85   14.8023     1.5968     3.0048    14.1593    16.7459     2.0295 
   H  86   14.0357     1.0812     2.4604    13.4154    15.9862     2.3451 
   H  87    1.5968    14.8023    14.1593     3.0048     2.0295    16.7460 
   H  88    1.0812    14.0357    13.4154     2.4604     2.3450    15.9863 
   H  89    1.8698    13.6074    13.2741     0.5572     2.8242    15.6068 
   H  90    2.5358    14.2247    13.9508     1.4158     2.9035    16.2245 
   H  91    2.1763    14.8469    14.5109     1.5678     2.0631    16.8464 
   H  92   13.6074     1.8698     0.5572    13.2741    15.6067     2.8243 
   H  93   14.2247     2.5358     1.4158    13.9508    16.2244     2.9036 
   H  94   14.8469     2.1763     1.5678    14.5109    16.8463     2.0632 
   H  95    2.4059    15.1425    14.8130     1.8747     2.0295    17.1422 
   H  96    3.1512    15.8305    15.5344     2.6595     2.3451    17.8305 
   H  97   15.1426     2.4059     1.8748    14.8131    17.1422     2.0295 
   H  98   15.8305     3.1512     2.6595    15.5344    17.8304     2.3451 
   H  99   13.0197     0.9207     1.0813    12.5319    15.0022     2.8604 
   H 100   12.2312     1.6769     1.5968    11.7354    14.2115     3.6517 
   H 101    0.9207    13.0197    12.5319     1.0813     2.8604    15.0023 
   H 102    1.6769    12.2312    11.7354     1.5968     3.6516    14.2116 
   H 103    3.3912    17.1497    16.7045     3.7985     1.4559    19.1412 
   H 104   17.1497     3.3912     3.7985    16.7045    19.1411     1.4558 
   H 105    2.8620    16.0682    15.3784     4.2117     2.3300    17.9956 
   H 106   16.0682     2.8620     4.2117    15.3784    17.9955     2.3299 
   H 107    3.1020    11.2326    10.9035     2.1829     4.8588    13.2316 
   H 108    2.5055    12.0293    11.6976     1.4155     4.1322    14.0284 
   H 109   11.2326     3.1020     2.1829    10.9035    13.2316     4.8589 
   H 110   12.0293     2.5055     1.4155    11.6976    14.0283     4.1323 
   H 111    4.4726    16.9365    16.7012     3.9717     3.3533    18.9340 
   H 112   16.9365     4.4726     3.9717    16.7012    18.9339     3.3533 
   H 113    3.2069    17.0192    16.5551     3.7041     1.2347    19.0080 
   H 114   17.0192     3.2069     3.7041    16.5551    19.0079     1.2346 
   H 115    5.7878    19.6746    19.1032     6.5963     3.8814    21.6429 
   H 116    5.8467    19.6321    19.0029     6.8080     4.0798    21.5836 
   H 117    4.9803    18.7557    18.1300     5.9780     3.2644    20.7078 
   H 118   19.6746     5.7878     6.5963    19.1032    21.6428     3.8813 
   H 119   19.6321     5.8467     6.8080    19.0029    21.5835     4.0797 
   H 120   18.7557     4.9803     5.9780    18.1300    20.7077     3.2643 
   H 121   18.3307     5.2396     6.5216    17.5725    20.2290     4.1404 
   H 122   17.6114     4.8855     6.2399    16.8211    19.4927     4.1169 
   H 123   17.1147     4.0677     5.3976    16.3763    19.0217     3.2437 
   H 124    5.2396    18.3307    17.5725     6.5216     4.1405    20.2291 
   H 125    4.8855    17.6114    16.8211     6.2399     4.1170    19.4928 
   H 126    4.0677    17.1147    16.3763     5.3976     3.2438    19.0218 
   H 127    9.6029     4.3154     4.0507     9.0712    11.5721     6.3098 
   H 128    8.8219     5.1097     4.8282     8.2753    10.7859     7.1055 
   H 129    4.3154     9.6029     9.0712     4.0507     6.3097    11.5722 
   H 130    5.1097     8.8219     8.2753     4.8282     7.1055    10.7860 
   H 131    6.2385     7.7716     7.4597     5.6148     8.1707     9.7696 
   H 132    5.4820     8.5677     8.2506     4.8210     7.3963    10.5661 
   H 133    7.7716     6.2385     5.6148     7.4597     9.7695     8.1708 
   H 134    8.5677     5.4820     4.8210     8.2506    10.5660     7.3964 
   H 135   19.7882     6.0320     6.4096    19.3580    21.7821     4.0477 
   H 136   20.4645     6.6200     7.1183    19.9952    22.4536     4.6200 
   H 137   19.9275     6.0319     6.6686    19.4133    21.9088     4.0477 
   H 138    6.0320    19.7882    19.3580     6.4096     4.0478    21.7822 
   H 139    6.6200    20.4645    19.9952     7.1183     4.6201    22.4537 
   H 140    6.0320    19.9276    19.4134     6.6687     4.0479    21.9090 
   H 141   17.7756     5.6451     5.0779    17.6043    19.7665     4.4739 
   H 142   18.1052     6.4222     5.7458    17.9968    20.0860     5.3371 
   H 143   18.9133     6.8484     6.3176    18.7766    20.8985     5.5456 
   H 144    5.6451    17.7756    17.6043     5.0779     4.4739    19.7666 
   H 145    6.4222    18.1052    17.9968     5.7458     5.3371    20.0860 
   H 146    6.8484    18.9132    18.7765     6.3175     5.5456    20.8985 
   H 147   19.6971     6.6344     6.5142    19.4271    21.6960     4.9155 
   H 148   20.5523     7.4969     7.3908    20.2936    22.5504     5.7414 
   H 149   20.7594     7.3996     7.4601    20.4428    22.7594     5.5322 
   H 150    6.6344    19.6971    19.4271     6.5142     4.9156    21.6960 
   H 151    7.4969    20.5523    20.2936     7.3908     5.7415    22.5505 
   H 152    7.3996    20.7594    20.4428     7.4601     5.5323    22.7595 
   H 153    6.4329     7.5598     6.9559     6.1647     8.4317     9.5041 
   H 154    7.5598     6.4329     6.1647     6.9559     9.5040     8.4318 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26   15.2467     0.0000 
   C  27    2.7320    14.7739     0.0000 
   C  28   14.7739     2.7320    14.7986     0.0000 
   C  29   16.2798     3.0000    16.2798     1.5060     0.0000 
   C  30    3.0000    16.2798     1.5060    16.2798    17.7652     0.0000 
   C  31   16.2145     1.0001    15.7707     2.9093     2.6458    17.2765 
   C  32    1.0000    16.2144     2.9093    15.7706    17.2765     2.6457 
   C  33    2.4495    13.1807     2.0000    13.0000    14.4950     3.3460 
   C  34   13.1807     2.4495    13.0000     2.0000     3.3460    14.4950 
   C  35   17.5369     2.6903    17.2675     3.1435     2.0073    18.7702 
   C  36    2.6903    17.5369     3.1435    17.2675    18.7702     2.0073 
   C  37    3.6055    17.2765     2.5036    17.2765    18.7629     1.0000 
   C  38   17.2765     3.6056    17.2765     2.5036     1.0001    18.7629 
   C  39   16.9454     1.7603    16.3700     3.9415     3.5081    17.8747 
   C  40    1.7603    16.9454     3.9415    16.3700    17.8747     3.5081 
   C  41   12.2474     3.4252    12.1655     2.6457     4.1144    13.6518 
   C  42    3.4252    12.2474     2.6457    12.1655    13.6518     4.1144 
   C  43    3.0694    18.2314     4.1197    17.8354    19.3411     3.0490 
   C  44   18.2314     3.0694    17.8354     4.1197     3.0490    19.3411 
   C  45   17.9477     2.7088    17.4042     4.4517     3.6691    18.9093 
   C  46    2.7088    17.9477     4.4517    17.4042    18.9093     3.6691 
   C  47   17.7295     4.5826    17.8625     3.0881     1.7321    19.3366 
   C  48    4.5826    17.7294     3.0880    17.8624    19.3365     1.7320 
   C  49   17.8624     3.4641    17.7295     3.1623     1.7321    19.2259 
   C  50    3.4641    17.8624     3.1623    17.7295    19.2259     1.7321 
   C  51   18.8550     4.3589    18.7291     4.1231     2.6458    20.2257 
   C  52    4.3589    18.8550     4.1231    18.7291    20.2257     2.6458 
   C  53   18.7291     5.2915    18.8550     4.0665     2.6458    20.3310 
   C  54    5.2915    18.7291     4.0665    18.8550    20.3310     2.6458 
   C  55    5.1962    19.2709     4.5020    19.2709    20.7590     3.0000 
   C  56   19.2709     5.1962    19.2709     4.5020     3.0000    20.7590 
   C  57   10.5356     4.8715    10.4403     4.3589     5.8416    11.9237 
   C  58    4.8715    10.5356     4.3589    10.4403    11.9237     5.8416 
   C  59   19.8928     4.6558    19.4098     5.8248     4.6381    20.9155 
   C  60    4.6558    19.8928     5.8248    19.4098    20.9155     4.6381 
   C  61   18.4878     3.6720    17.6953     5.9521     5.3505    19.1892 
   C  62    3.6720    18.4878     5.9521    17.6953    19.1892     5.3505 
   C  63    9.7842     5.4772     9.5394     5.2915     6.7519    11.0323 
   C  64    5.4772     9.7842     5.2915     9.5394    11.0323     6.7519 
   C  65    6.4600     8.8317     6.0828     8.7178    10.1971     7.5710 
   C  66    8.8317     6.4600     8.7178     6.0828     7.5710    10.1971 
   C  67    5.5678    20.4584     5.8080    20.2258    21.7282     4.3590 
   C  68   20.4583     5.5677    20.2257     5.8079     4.3589    21.7281 
   C  69    6.5574    18.7629     4.6981    19.1374    20.5819     3.6055 
   C  70   18.7629     6.5574    19.1375     4.6981     3.6056    20.5820 
   C  71    6.9282    20.7284     6.0445    20.8423    22.3212     4.5826 
   C  72   20.7284     6.9282    20.8423     6.0445     4.5826    22.3212 
   C  73    7.1414     8.1075     7.0000     7.8102     9.3014     8.4726 
   C  74    8.1075     7.1414     7.8102     7.0000     8.4726     9.3014 
   H  75   15.5054     2.3716    15.4473     0.8310     0.8743    16.9365 
   H  76    2.3716    15.5054     0.8310    15.4473    16.9365     0.8743 
   H  77   14.1851     1.0813    13.7687     2.4655     3.2657    15.2739 
   H  78   14.0100     1.5968    13.7475     1.7618     2.8113    15.2478 
   H  79    1.0813    14.1851     2.4655    13.7687    15.2739     3.2657 
   H  80    1.5968    14.0100     1.7618    13.7475    15.2478     2.8113 
   H  81    2.9878    13.5165     1.2648    13.5385    15.0179     2.7666 
   H  82    2.7470    14.3103     0.4681    14.3311    15.8119     1.9704 
   H  83   13.5165     2.9878    13.5385     1.2648     2.7666    15.0179 
   H  84   14.3103     2.7470    14.3311     0.4681     1.9704    15.8119 
   H  85   15.5197     0.6200    14.9442     3.3443     3.4977    16.4493 
   H  86   14.7436     0.6199    14.2134     3.0011     3.4977    15.7192 
   H  87    0.6200    15.5197     3.3443    14.9442    16.4493     3.4977 
   H  88    0.6199    14.7436     3.0011    14.2134    15.7192     3.4977 
   H  89    2.8015    14.1561     0.6200    14.1820    15.6621     2.1242 
   H  90    3.3521    14.7351     0.6201    14.8743    16.3436     1.6788 
   H  91    2.8015    15.3918     0.6200    15.4155    16.8977     0.8902 
   H  92   14.1561     2.8015    14.1820     0.6200     2.1242    15.6621 
   H  93   14.7351     3.3521    14.8743     0.6201     1.6788    16.3436 
   H  94   15.3918     2.8015    15.4155     0.6200     0.8902    16.8977 
   H  95    2.9561    15.6823     0.9207    15.7192    17.2005     0.6200 
   H  96    3.5889    16.3476     1.6769    16.4493    17.9250     0.6200 
   H  97   15.6823     2.9560    15.7192     0.9207     0.6199    17.2006 
   H  98   16.3476     3.5889    16.4493     1.6769     0.6200    17.9250 
   H  99   13.6598     1.8326    13.3889     1.9884     3.1348    14.8893 
   H 100   12.8795     2.4738    12.5918     2.5913     3.8703    14.0922 
   H 101    1.8326    13.6598     1.9884    13.3889    14.8893     3.1348 
   H 102    2.4738    12.8795     2.5913    12.5918    14.0922     3.8703 
   H 103    3.1811    17.7505     3.1321    17.5687    19.0677     1.7865 
   H 104   17.7505     3.1811    17.5687     3.1321     1.7865    19.0677 
   H 105    1.8710    16.8067     4.3418    16.1364    17.6382     4.0532 
   H 106   16.8067     1.8710    16.1364     4.3418     4.0532    17.6382 
   H 107    4.0382    11.7930     2.9967    11.8182    13.2936     4.4979 
   H 108    3.4879    12.5859     2.1996    12.6095    14.0869     3.7011 
   H 109   11.7930     4.0382    11.8182     2.9967     4.4979    13.2936 
   H 110   12.5859     3.4879    12.6095     2.1996     3.7011    14.0869 
   H 111    4.8212    17.4124     2.9743    17.6312    19.0951     1.8397 
   H 112   17.4124     4.8212    17.6312     2.9743     1.8397    19.0951 
   H 113    2.9436    17.6312     3.0981    17.4125    18.9132     1.8397 
   H 114   17.6312     2.9436    17.4125     3.0981     1.8397    18.9132 
   H 115    5.1394    20.3411     6.0794    19.9119    21.4178     4.7979 
   H 116    5.0846    20.3307     6.4056    19.7845    21.2891     5.2475 
   H 117    4.2082    19.4540     5.6272    18.9148    20.4197     4.5577 
   H 118   20.3411     5.1394    19.9119     6.0794     4.7979    21.4178 
   H 119   20.3307     5.0846    19.7845     6.4056     5.2475    21.2891 
   H 120   19.4540     4.2082    18.9148     5.6272     4.5577    20.4197 
   H 121   19.1000     4.2715    18.2874     6.4726     5.7797    19.7793 
   H 122   18.3982     3.8886    17.5183     6.3239     5.8297    19.0053 
   H 123   17.8762     3.0807    17.1051     5.4525     4.9620    18.6009 
   H 124    4.2715    19.1000     6.4726    18.2874    19.7793     5.7797 
   H 125    3.8886    18.3982     6.3239    17.5183    19.0053     5.8297 
   H 126    3.0807    17.8762     5.4525    17.1051    18.6009     4.9620 
   H 127   10.2873     4.9596     9.9248     5.0192     6.4388    11.4253 
   H 128    9.5206     5.7342     9.1277     5.7859     7.2203    10.6282 
   H 129    4.9596    10.2873     5.0192     9.9248    11.4253     6.4388 
   H 130    5.7342     9.5206     5.7859     9.1277    10.6282     7.2203 
   H 131    7.0049     8.3568     6.4607     8.3924     9.8534     7.9614 
   H 132    6.2773     9.1456     5.6637     9.1781    10.6436     7.1644 
   H 133    8.3568     7.0049     8.3924     6.4607     7.9614     9.8534 
   H 134    9.1456     6.2773     9.1781     5.6637     7.1644    10.6436 
   H 135   20.3737     5.6972    20.2240     5.6394     4.1518    21.7228 
   H 136   21.0714     6.1810    20.8456     6.3982     4.9340    22.3480 
   H 137   20.5613     5.5055    20.2464     6.0357     4.6402    21.7512 
   H 138    5.6972    20.3737     5.6394    20.2240    21.7228     4.1518 
   H 139    6.1810    21.0714     6.3982    20.8456    22.3480     4.9340 
   H 140    5.5056    20.5614     6.0358    20.2465    21.7513     4.6403 
   H 141   18.2088     5.9890    18.5489     4.0784     3.0148    19.9977 
   H 142   18.4972     6.8179    18.9546     4.7563     3.8242    20.3857 
   H 143   19.3210     7.1345    19.7279     5.3179     4.2047    21.1682 
   H 144    5.9890    18.2088     4.0784    18.5489    19.9977     3.0148 
   H 145    6.8179    18.4972     4.7563    18.9546    20.3857     3.8242 
   H 146    7.1345    19.3209     5.3178    19.7278    21.1681     4.2047 
   H 147   20.1863     6.6399    20.3449     5.5616     4.1339    21.8187 
   H 148   21.0324     7.4716    21.2139     6.4363     5.0104    22.6859 
   H 149   21.2747     7.2581    21.3460     6.5505     5.0675    22.8295 
   H 150    6.6399    20.1863     5.5616    20.3449    21.8187     4.1339 
   H 151    7.4716    21.0324     6.4363    21.2139    22.6859     5.0104 
   H 152    7.2581    21.2747     6.5505    21.3460    22.8295     5.0675 
   H 153    7.0168     8.2996     7.1150     7.7952     9.2977     8.5582 
   H 154    8.2996     7.0168     7.7952     7.1150     8.5582     9.2977 

              C  31      C  32      C  33      C  34      C  35      C  36
              ------------------------------------------------------------------
   C  31    0.0000 
   C  32   17.1859     0.0000 
   C  33   14.1674     3.2348     0.0000 
   C  34    3.2349    14.1673    11.2694     0.0000 
   C  35    1.7761    18.5221    15.5905     4.3573     0.0000 
   C  36   18.5222     1.7761     4.3573    15.5905    19.9273     0.0000 
   C  37   18.2736     3.0000     4.3197    15.4947    19.7698     1.7165 
   C  38    3.0000    18.2736    15.4948     4.3198     1.7164    19.7699 
   C  39    1.0416    17.9054    14.8338     4.1798     2.0694    19.1906 
   C  40   17.9055     1.0417     4.1798    14.8338    19.1906     2.0694 
   C  41    4.2342    13.2381    10.3923     1.0000     5.3139    14.6905 
   C  42   13.2382     4.2341     1.0000    10.3923    14.6905     5.3139 
   C  43   19.2086     2.0694     5.1096    16.2163    20.5679     1.0417 
   C  44    2.0693    19.2085    16.2163     5.1096     1.0417    20.5679 
   C  45    1.8001    18.9119    15.8550     5.0345     1.8002    20.2122 
   C  46   18.9120     1.8002     5.0345    15.8550    20.2122     1.8002 
   C  47    4.0000    18.7291    16.0378     5.0391     2.6224    20.2676 
   C  48   18.7291     4.0000     5.0390    16.0377    20.2675     2.6224 
   C  49    2.6457    18.8550    15.9982     4.7321     0.9657    20.3089 
   C  50   18.8551     2.6458     4.7321    15.9982    20.3089     0.9657 
   C  51    3.4641    19.8483    16.9977     5.7320     1.6881    21.3068 
   C  52   19.8484     3.4641     5.7320    16.9977    21.3068     1.6881 
   C  53    4.5826    19.7287    17.0350     5.9880     2.9654    21.2674 
   C  54   19.7288     4.5826     5.9880    17.0350    21.2674     2.9654 
   C  55   20.2686     4.3589     6.2919    17.4942    21.7693     2.6039 
   C  56    4.3589    20.2685    17.4942     6.2919     2.6039    21.7693 
   C  57    5.7787    11.5232     8.6602     2.6458     7.0030    12.9617 
   C  58   11.5232     5.7786     2.6458     8.6602    12.9617     7.0030 
   C  59    3.6784    20.8642    17.8359     6.8229     2.6864    22.1924 
   C  60   20.8643     3.6785     6.8229    17.8359    22.1924     2.6864 
   C  61    3.0659    19.4249    16.2814     6.1212     3.5321    20.6185 
   C  62   19.4250     3.0660     6.1212    16.2814    20.6185     3.5321 
   C  63    6.4337    10.7603     7.8102     3.4641     7.7842    12.1431 
   C  64   10.7604     6.4336     3.4641     7.8102    12.1431     7.7842 
   C  65    9.8143     7.4065     4.3589     6.9282    11.2340     8.7090 
   C  66    7.4066     9.8142     6.9282     4.3589     8.7090    11.2340 
   C  67   21.4475     4.5827     7.2838    18.5408    22.8716     2.9586 
   C  68    4.5825    21.4473    18.5407     7.2837     2.9585    22.8715 
   C  69   19.7609     6.0000     6.6974    17.2470    21.3688     4.5539 
   C  70    6.0000    19.7609    17.2471     6.6975     4.5539    21.3688 
   C  71   21.7282     6.0828     7.9236    19.0303    23.2671     4.3160 
   C  72    6.0827    21.7281    19.0303     7.9236     4.3160    23.2671 
   C  73    9.0731     8.1151     5.1962     6.0828    10.4235     9.5078 
   C  74    8.1152     9.0730     6.0828     5.1962     9.5078    10.4235 
   H  75    2.2901    16.4997    13.6805     2.4808     2.3133    17.9724 
   H  76   16.4998     2.2900     2.4808    13.6805    17.9724     2.3133 
   H  77    2.0296    15.1562    12.1443     1.4738     3.5409    16.4975 
   H  78    2.3452    14.9925    12.0543     0.8898     3.5372    16.3901 
   H  79   15.1563     2.0295     1.4738    12.1443    16.4975     3.5409 
   H  80   14.9926     2.3451     0.8898    12.0543    16.3901     3.5372 
   H  81   14.5125     3.5293     1.0813    11.7355    16.0038     4.2209 
   H  82   15.3067     3.0791     1.5968    12.5319    16.8007     3.5191 
   H  83    3.5294    14.5124    11.7355     1.0813     4.2209    16.0038 
   H  84    3.0792    15.3066    12.5319     1.5968     3.5191    16.8007 
   H  85    1.0812    16.4779    13.4030     2.9787     2.8551    17.7598 
   H  86    1.5968    15.7052    12.6462     2.2585     3.3102    17.0035 
   H  87   16.4780     1.0812     2.9787    13.4030    17.7598     2.8551 
   H  88   15.7053     1.5967     2.2585    12.6462    17.0035     3.3102 
   H  89   15.1527     3.1762     1.4955    12.3805    16.6477     3.6630 
   H  90   15.7344     3.4980     2.3716    13.0386    17.2661     3.5440 
   H  91   16.3888     2.7583     2.5557    13.6195    17.8873     2.6673 
   H  92    3.1762    15.1526    12.3805     1.4955     3.6630    16.6477 
   H  93    3.4981    15.7343    13.0386     2.3716     3.5440    17.2661 
   H  94    2.7584    16.3887    13.6195     2.5557     2.6673    17.8873 
   H  95   16.6798     2.8113     2.8603    13.9197    18.1833     2.5210 
   H  96   17.3466     3.2657     3.6516    14.6307    18.8721     2.5069 
   H  97    2.8113    16.6798    13.9198     2.8604     2.5209    18.1834 
   H  98    3.2657    17.3465    14.6307     3.6516     2.5069    18.8721 
   H  99    2.6507    14.6413    11.6975     0.6200     3.8932    16.0346 
   H 100    3.3736    13.8587    10.9035     0.6200     4.6872    15.2430 
   H 101   14.6414     2.6506     0.6200    11.6975    16.0346     3.8932 
   H 102   13.8588     3.3735     0.6200    10.9035    15.2430     4.6872 
   H 103   18.7409     2.3300     4.5877    15.8563    20.1776     0.6199 
   H 104    2.3299    18.7408    15.8563     4.5877     0.6199    20.1776 
   H 105   17.7565     1.4559     4.3157    14.6496    19.0013     2.6893 
   H 106    1.4558    17.7564    14.6496     4.3157     2.6893    19.0013 
   H 107   12.7878     4.8270     1.5967    10.0051    14.2723     5.8310 
   H 108   13.5813     4.1910     1.0812    10.8013    15.0691     5.0801 
   H 109    4.8271    12.7877    10.0051     1.5967     5.8310    14.2723 
   H 110    4.1911    13.5812    10.8013     1.0812     5.0801    15.0691 
   H 111   18.4125     4.3433     4.9702    15.7799    19.9751     3.1225 
   H 112    4.3433    18.4124    15.7799     4.9702     3.1225    19.9751 
   H 113   18.6195     2.0699     4.4545    15.7147    20.0430     0.3464 
   H 114    2.0699    18.6195    15.7147     4.4545     0.3464    20.0430 
   H 115   21.3173     4.1469     7.2154    18.3134    22.6674     2.9462 
   H 116   21.2968     4.1333     7.3256    18.2427    22.5999     3.2791 
   H 117   20.4201     3.2611     6.4660    17.3674    21.7247     2.5539 
   H 118    4.1468    21.3172    18.3134     7.2154     2.9462    22.6674 
   H 119    4.1332    21.2967    18.2427     7.3256     3.2791    22.5999 
   H 120    3.2610    20.4200    17.3674     6.4660     2.5539    21.7247 
   H 121    3.6180    20.0352    16.8866     6.7207     3.8814    21.2204 
   H 122    3.4148    19.3235    16.1556     6.3151     4.0798    20.4765 
   H 123    2.5452    18.8152    15.6773     5.5262     3.2644    20.0177 
   H 124   20.0353     3.6181     6.7207    16.8866    21.2204     3.8814 
   H 125   19.3236     3.4149     6.3151    16.1556    20.4765     4.0798 
   H 126   18.8153     2.5453     5.5262    15.6773    20.0177     3.2644 
   H 127    5.9324    11.2551     8.2506     3.1022     7.3487    12.5992 
   H 128    6.7135    10.4832     7.4596     3.8918     8.1449    11.8111 
   H 129   11.2552     5.9323     3.1022     8.2506    12.5992     7.3487 
   H 130   10.4833     6.7134     3.8918     7.4596    11.8111     8.1449 
   H 131    9.3467     7.9366     4.8281     6.5470    10.8098     9.1853 
   H 132   10.1371     7.1924     4.0506     7.3422    11.6064     8.4056 
   H 133    7.9367     9.3466     6.5470     4.8281     9.1853    10.8098 
   H 134    7.1925    10.1370     7.3422     4.0506     8.4056    11.6064 
   H 135    4.7390    21.3666    18.5055     7.2362     3.0195    22.8199 
   H 136    5.1927    22.0610    19.1592     7.8997     3.5785    23.4887 
   H 137    4.5067    21.5456    18.5967     7.3831     3.0260    22.9399 
   H 138   21.3667     4.7391     7.2362    18.5055    22.8199     3.0195 
   H 139   22.0611     5.1928     7.8997    19.1592    23.4887     3.5785 
   H 140   21.5458     4.5068     7.3832    18.5968    22.9400     3.0261 
   H 141    5.4719    19.2076    16.6661     6.0776     4.1088    20.8054 
   H 142    6.3328    19.4928    17.0438     6.7384     4.9851    21.1210 
   H 143    6.5442    20.3179    17.8305     7.3173     5.0362    21.9353 
   H 144   19.2077     5.4719     6.0776    16.6661    20.8054     4.1088 
   H 145   19.4929     6.3328     6.7384    17.0438    21.1210     4.9851 
   H 146   20.3179     6.5442     7.3173    17.8304    21.9352     5.0362 
   H 147    5.8449    21.1863    18.5178     7.4792     4.1108    22.7375 
   H 148    6.6486    22.0324    19.3813     8.3560     4.8917    23.5918 
   H 149    6.3722    22.2740    19.5491     8.3903     4.5962    23.8010 
   H 150   21.1864     5.8449     7.4792    18.5178    22.7375     4.1108 
   H 151   22.0325     6.6486     8.3560    19.3813    23.5918     4.8917 
   H 152   22.2741     6.3723     8.3903    19.5491    23.8010     4.5962 
   H 153    9.2452     8.0058     5.2330     6.1648    10.5218     9.4725 
   H 154    8.0058     9.2451     6.1648     5.2330     9.4725    10.5218 

              C  37      C  38      C  39      C  40      C  41      C  42
              ------------------------------------------------------------------
   C  37    0.0000 
   C  38   19.7609     0.0000 
   C  39   18.8670     3.6460     0.0000 
   C  40    3.6460    18.8671    18.6555     0.0000 
   C  41   14.6499     5.1112     5.1694    13.8849     0.0000 
   C  42    5.1111    14.6500    13.8849     5.1694     9.5394     0.0000 
   C  43    2.6754    20.3388    19.9085     1.8002    15.2939     6.0969 
   C  44   20.3387     2.6753     1.8002    19.9085     6.0969    15.2939 
   C  45   19.9024     3.5164     1.0417    19.6508     6.0341    14.9102 
   C  46    3.5165    19.9025    19.6508     1.0417    14.9102     6.0341 
   C  47   20.3310     1.0000     4.6220    19.2809     5.7321    15.2233 
   C  48    1.0000    20.3310    19.2808     4.6220    15.2232     5.7320 
   C  49   20.2257     1.0000     3.0348    19.4843     5.6204    15.1244 
   C  50    1.0001    20.2258    19.4843     3.0348    15.1244     5.6204 
   C  51   21.2255     1.7320     3.6327    20.4718     6.6170    16.1244 
   C  52    1.7321    21.2256    20.4718     3.6327    16.1244     6.6170 
   C  53   21.3259     1.7320     5.0348    20.2784     6.7121    16.2171 
   C  54    1.7321    21.3259    20.2784     5.0348    16.2171     6.7121 
   C  55    2.0000    21.7574    20.8538     4.6115    16.6469     7.1075 
   C  56   21.7573     2.0000     4.6115    20.8538     7.1075    16.6469 
   C  57   12.9213     6.8400     6.6289    12.1889     1.7321     7.8102 
   C  58    6.8399    12.9214    12.1889     6.6289     7.8102     1.7321 
   C  59   21.9100     4.0455     3.0659    21.5820     7.8153    16.8994 
   C  60    4.0456    21.9101    21.5820     3.0659    16.8994     7.8153 
   C  61   20.1681     5.2483     2.0245    20.2229     7.0889    15.3068 
   C  62    5.2483    20.1682    20.2229     2.0245    15.3068     7.0889 
   C  63   12.0318     7.7448     7.2049    11.4718     2.6458     6.9282 
   C  64    7.7447    12.0319    11.4718     7.2049     6.9282     2.6458 
   C  65    8.5700    11.1938    10.5048     8.1953     6.0828     3.4641 
   C  66   11.1937     8.5701     8.1953    10.5048     3.4641     6.0828 
   C  67    3.4642    22.7280    22.0959     4.3704    17.6457     8.2125 
   C  68   22.7278     3.4640     4.3703    22.0958     8.2124    17.6456 
   C  69    3.0000    21.5653    20.2318     6.5956    16.4922     7.2332 
   C  70   21.5653     3.0000     6.5956    20.2319     7.2333    16.4923 
   C  71    3.6056    23.3170    22.2739     6.2707    18.2069     8.6859 
   C  72   23.3170     3.6055     6.2707    22.2739     8.6859    18.2069 
   C  73    9.4679    10.3008     9.8175     8.8391     5.1962     4.3589 
   C  74   10.3007     9.4679     8.8391     9.8175     4.3589     5.1962 
   H  75   17.9351     1.8397     3.2823    17.1187     3.2883    12.8256 
   H  76    1.8396    17.9352    17.1187     3.2823    12.8256     3.2883 
   H  77   16.2722     4.0761     2.8385    15.8780     2.3975    11.2209 
   H  78   16.2478     3.7220     3.2997    15.6756     1.8896    11.1592 
   H  79    4.0761    16.2723    15.8780     2.8385    11.2209     2.3975 
   H  80    3.7220    16.2478    15.6756     3.2997    11.1592     1.8896 
   H  81    3.7661    16.0142    15.1208     4.5567    10.9035     1.4156 
   H  82    2.9694    16.8086    15.9101     4.1208    11.6976     2.1829 
   H  83   16.0141     3.7661     4.5567    15.1208     1.4156    10.9035 
   H  84   16.8085     2.9695     4.1208    15.9101     2.1829    11.6976 
   H  85   17.4425     4.0023     1.4308    17.2331     3.9245    12.4544 
   H  86   16.7145     4.1712     2.2029    16.4526     3.1679    11.7044 
   H  87    4.0023    17.4426    17.2331     1.4308    12.4544     3.9245 
   H  88    4.1712    16.7146    16.4526     2.2029    11.7044     3.1679 
   H  89    3.1228    16.6586    15.7556     4.2176    11.5478     2.0403 
   H  90    2.6112    17.3366    16.3005     4.5206    12.2321     2.8292 
   H  91    1.8848    17.8946    16.9848     3.7485    12.7835     3.2566 
   H  92   16.6585     3.1229     4.2176    15.7556     2.0403    11.5478 
   H  93   17.3365     2.6113     4.5206    16.3005     2.8292    12.2321 
   H  94   17.8946     1.8849     3.7485    16.9848     3.2566    12.7835 
   H  95    1.5968    18.1972    17.2704     3.7666    13.0862     3.5626 
   H  96    1.0812    18.9201    17.9145     4.1199    13.8112     4.3176 
   H  97   18.1972     1.5968     3.7665    17.2705     3.5627    13.0863 
   H  98   18.9200     1.0813     4.1199    17.9145     4.3176    13.8112 
   H  99   15.8892     4.0613     3.5727    15.3286     1.5967    10.8013 
   H 100   15.0922     4.8209     4.2341    14.5552     1.0812    10.0050 
   H 101    4.0613    15.8893    15.3286     3.5727    10.8013     1.5967 
   H 102    4.8208    15.0923    14.5552     4.2341    10.0050     1.0812 
   H 103    1.2252    20.0678    19.3843     2.6893    14.9728     5.5032 
   H 104   20.0677     1.2251     2.6893    19.3843     5.5032    14.9728 
   H 105    4.2482    18.6262    18.5301     0.6199    13.6884     5.2785 
   H 106   18.6261     4.2482     0.6199    18.5301     5.2785    13.6884 
   H 107    5.4976    14.2889    13.4089     5.7761     9.1797     0.6200 
   H 108    4.7007    15.0827    14.1962     5.1788     9.9726     0.6200 
   H 109   14.2888     5.4977     5.7761    13.4089     0.6200     9.1797 
   H 110   15.0826     4.7008     5.1788    14.1962     0.6200     9.9726 
   H 111    1.4158    20.0860    18.9394     5.0516    14.9871     5.5761 
   H 112   20.0860     1.4158     5.0516    18.9394     5.5761    14.9871 
   H 113    1.4158    19.9132    19.2737     2.4149    14.8241     5.3888 
   H 114   19.9131     1.4158     2.4149    19.2737     5.3888    14.8241 
   H 115    4.0992    22.4140    22.0197     3.6180    17.3850     8.1980 
   H 116    4.6655    22.2810    22.0298     3.4149    17.2971     8.3228 
   H 117    4.0864    21.4123    21.1535     2.5453    16.4230     7.4647 
   H 118   22.4139     4.0991     3.6180    22.0197     8.1980    17.3850 
   H 119   22.2809     4.6654     3.4149    22.0298     8.3228    17.2971 
   H 120   21.4122     4.0863     2.5453    21.1535     7.4647    16.4230 
   H 121   20.7562     5.5901     2.5842    20.8365     7.6936    15.9101 
   H 122   19.9776     5.7901     2.3878    20.1419     7.2568    15.1731 
   H 123   19.5819     4.9608     1.5127    19.6097     6.4872    14.7049 
   H 124    5.5901    20.7563    20.8365     2.5842    15.9101     7.6936 
   H 125    5.7902    19.9777    20.1419     2.3878    15.1731     7.2568 
   H 126    4.9608    19.5820    19.6097     1.5127    14.7049     6.4872 
   H 127   12.4252     7.4198     6.6665    11.9902     2.4059     7.3421 
   H 128   11.6282     8.2051     7.4249    11.2328     3.1513     6.5469 
   H 129    7.4198    12.4253    11.9902     6.6665     7.3421     2.4059 
   H 130    8.2050    11.6282    11.2328     7.4249     6.5469     3.1513 
   H 131    8.9613    10.8450    10.0061     8.7501     5.7470     3.8917 
   H 132    8.1643    11.6364    10.7856     8.0311     6.5339     3.1021 
   H 133   10.8449     8.9614     8.7501    10.0061     3.8917     5.7470 
   H 134   11.6363     8.1644     8.0311    10.7856     3.1021     6.5339 
   H 135   22.7227     3.1995     4.6569    21.9919     8.1324    17.6261 
   H 136   23.3478     4.0130     4.9433    22.7058     8.8244    18.2649 
   H 137   22.7499     3.8120     4.1571    22.2166     8.3380    17.6869 
   H 138    3.1996    22.7228    21.9919     4.6569    17.6261     8.1324 
   H 139    4.0131    23.3478    22.7058     4.9433    18.2649     8.8244 
   H 140    3.8122    22.7501    22.2167     4.1572    17.6870     8.3381 
   H 141   20.9828     2.4825     6.1175    19.6923     6.6168    15.9033 
   H 142   21.3635     3.3533     6.9927    19.9378     7.1970    16.3126 
   H 143   22.1497     3.5505     7.0957    20.7758     7.8503    17.0834 
   H 144    2.4825    20.9829    19.6923     6.1175    15.9033     6.6168 
   H 145    3.3533    21.3636    19.9378     6.9927    16.3126     7.1970 
   H 146    3.5505    22.1497    20.7758     7.0957    17.0834     7.8503 
   H 147   22.8129     3.1879     6.1313    21.7202     8.2073    17.7056 
   H 148   23.6794     4.0600     6.8694    22.5561     9.0820    18.5735 
   H 149   23.8265     4.0750     6.4668    22.8311     9.1814    18.7154 
   H 150    3.1879    22.8130    21.7202     6.1313    17.7056     8.2073 
   H 151    4.0601    23.6795    22.5561     6.8694    18.5735     9.0820 
   H 152    4.0751    23.8266    22.8311     6.4668    18.7154     9.1814 
   H 153    9.5445    10.2974    10.0331     8.6740     5.2330     4.4726 
   H 154   10.2973     9.5446     8.6740    10.0331     4.4726     5.2330 

              C  43      C  44      C  45      C  46      C  47      C  48
              ------------------------------------------------------------------
   C  43    0.0000 
   C  44   21.2403     0.0000 
   C  45   20.9217     1.0416     0.0000 
   C  46    1.0416    20.9217    20.6507     0.0000 
   C  47   20.7982     3.4808     4.4053    20.3205     0.0000 
   C  48    3.4808    20.7981    20.3204     4.4054    20.9333     0.0000 
   C  49   20.9129     1.7494     2.6883    20.5142     1.7320    20.7590 
   C  50    1.7494    20.9129    20.5142     2.6883    20.7591     1.7321 
   C  51   21.9074     1.9804     3.0216    21.5029     2.0000    21.7573 
   C  52    1.9804    21.9074    21.5029     3.0216    21.7574     2.0000 
   C  53   21.7978     3.6024     4.6163    21.3182     1.0000    21.9237 
   C  54    3.6024    21.7978    21.3182     4.6163    21.9238     1.0001 
   C  55    2.9800    22.3345    21.8904     4.0214    22.3213     1.7321 
   C  56   22.3345     2.9800     4.0214    21.8904     1.7320    22.3212 
   C  57   13.5746     7.7334     7.5656    13.2093     7.4330    13.5038 
   C  58    7.7334    13.5746    13.2093     7.5656    13.5039     7.4329 
   C  59   22.8855     1.7320     2.0245    22.5898     4.6164    22.3374 
   C  60    1.7320    22.8855    22.5898     2.0245    22.3375     4.6164 
   C  61   21.3872     2.6863     1.7320    21.1962     6.1313    20.5075 
   C  62    2.6863    21.3872    21.1962     1.7320    20.5076     6.1313 
   C  63   12.7946     8.4483     8.1855    12.4789     8.3772    12.5867 
   C  64    8.4483    12.7946    12.4789     8.1855    12.5867     8.3771 
   C  65    9.4041    11.8591    11.5178     9.1688    11.7882     9.1455 
   C  66   11.8591     9.4041     9.1688    11.5178     9.1456    11.7881 
   C  67    2.5858    23.4990    23.1224     3.4488    23.2254     3.6056 
   C  68   23.4989     2.5858     3.4488    23.1223     3.6055    23.2252 
   C  69    5.2946    21.8256    21.2732     6.2841    22.2243     2.0000 
   C  70   21.8257     5.2946     6.2841    21.2733     2.0000    22.2243 
   C  71    4.5497    23.7973    23.3141     5.5782    23.9069     3.0000 
   C  72   23.7973     4.5497     5.5782    23.3141     2.9999    23.9068 
   C  73   10.1492    11.0937    10.8118     9.8403    10.8644    10.0781 
   C  74   11.0937    10.1492     9.8403    10.8118    10.0782    10.8643 
   H  75   18.5608     3.2988     3.6893    18.1500     2.6009    18.4972 
   H  76    3.2988    18.5608    18.1500     3.6893    18.4973     2.6008 
   H  77   17.1797     4.0731     3.7861    16.8833     4.9780    16.7474 
   H  78   17.0346     4.2421     4.1447    16.6927     4.5429    16.7649 
   H  79    4.0731    17.1797    16.8833     3.7861    16.7475     4.9779 
   H  80    4.2421    17.0346    16.6927     4.1447    16.7650     4.5429 
   H  81    5.1183    16.5762    16.1535     5.2612    16.6053     4.3312 
   H  82    4.4635    17.3710    16.9437     4.7156    17.3956     3.5491 
   H  83   16.5762     5.1183     5.2612    16.1535     4.3312    16.6052 
   H  84   17.3710     4.4635     4.7156    16.9437     3.5492    17.3955 
   H  85   18.4788     3.0207     2.4601    18.2260     4.9968    17.8647 
   H  86   17.7124     3.6571     3.2097    17.4485     5.1331    17.1546 
   H  87    3.0207    18.4788    18.2260     2.4601    17.8648     4.9968 
   H  88    3.6571    17.7124    17.4485     3.2097    17.1547     5.1331 
   H  89    4.6002    17.2170    16.7892     4.8334    17.2475     3.6932 
   H  90    4.5568    17.8028    17.3386     4.9728    17.9505     3.0020 
   H  91    3.6812    18.4539    18.0196     4.1282    18.4777     2.4900 
   H  92   17.2170     4.6002     4.8334    16.7892     3.6933    17.2474 
   H  93   17.8028     4.5568     4.9728    17.3386     3.0021    17.9504 
   H  94   18.4539     3.6812     4.1282    18.0196     2.4901    18.4777 
   H  95    3.5522    18.7456    18.3059     4.0694    18.7824     2.1829 
   H  96    3.5404    19.4147    18.9526     4.2326    19.5190     1.4155 
   H  97   18.7457     3.5521     4.0693    18.3060     2.1829    18.7824 
   H  98   19.4147     3.5404     4.2326    18.9526     1.4156    19.5189 
   H  99   16.6819     4.5832     4.4499    16.3444     4.8632    16.4063 
   H 100   15.8961     5.3535     5.1600    15.5682     5.5852    15.6102 
   H 101    4.5832    16.6819    16.3444     4.4499    16.4064     4.8631 
   H 102    5.3535    15.8961    15.5682     5.1600    15.6102     5.5851 
   H 103    1.4559    20.7948    20.4115     2.3593    20.5884     2.0474 
   H 104   20.7948     1.4559     2.3593    20.4115     2.0474    20.5883 
   H 105    2.3593    19.7419    19.5151     1.4559    19.0127     5.2303 
   H 106   19.7419     2.3593     1.4559    19.5151     5.2303    19.0126 
   H 107    6.6490    14.8498    14.4391     6.6249    14.8903     6.0442 
   H 108    5.9308    15.6441    15.2276     5.9736    15.6791     5.2543 
   H 109   14.8498     6.6490     6.6249    14.4391     6.0443    14.8902 
   H 110   15.6441     5.9308     5.9736    15.2276     5.2544    15.6790 
   H 111    4.0349    20.4817    19.9803     4.9211    20.7105     0.6200 
   H 112   20.4817     4.0349     4.9211    19.9803     0.6201    20.7104 
   H 113    1.2691    20.6702    20.2986     2.1179    20.4243     2.2901 
   H 114   20.6702     1.2691     2.1179    20.2986     2.2901    20.4242 
   H 115    2.1114    23.3465    23.0324     2.5842    22.8556     4.5466 
   H 116    2.2900    23.3086    23.0322     2.3878    22.6878     5.2276 
   H 117    1.5200    22.4321    22.1556     1.5127    21.8248     4.7665 
   H 118   23.3465     2.1114     2.5842    23.0324     4.5466    22.8555 
   H 119   23.3086     2.2900     2.3878    23.0322     5.2275    22.6877 
   H 120   22.4321     1.5200     1.5127    22.1556     4.7665    21.8247 
   H 121   21.9936     2.9461     2.1114    21.8081     6.4267    21.0861 
   H 122   21.2652     3.2791     2.2900    21.1037     6.6943    20.2897 
   H 123   20.7815     2.5539     1.5201    20.5847     5.8867    19.9315 
   H 124    2.9461    21.9936    21.8081     2.1114    21.0862     6.4267 
   H 125    3.2791    21.2652    21.1037     2.2900    20.2898     6.6944 
   H 126    2.5539    20.7815    20.5847     1.5201    19.9316     5.8867 
   H 127   13.2763     7.9693     7.6614    12.9894     8.1040    12.9469 
   H 128   12.4972     8.7571     8.4287    12.2260     8.8736    12.1513 
   H 129    7.9693    13.2763    12.9894     7.6614    12.9470     8.1039 
   H 130    8.7571    12.4972    12.2260     8.4287    12.1513     8.8735 
   H 131    9.9114    11.4023    11.0269     9.7111    11.4760     9.4909 
   H 132    9.1476    12.1947    11.8094     8.9766    12.2591     8.6966 
   H 133   11.4023     9.9114     9.7111    11.0269     9.4910    11.4759 
   H 134   12.1947     9.1476     8.9766    11.8094     8.6967    12.2591 
   H 135   23.4249     2.8573     3.8067    23.0228     3.1879    23.2433 
   H 136   24.1137     3.1757     3.9923    23.7332     4.0601    23.8452 
   H 137   23.5891     2.4448     3.1728    23.2380     4.0749    23.2237 
   H 138    2.8573    23.4249    23.0228     3.8067    23.2434     3.1880 
   H 139    3.1757    24.1137    23.7332     3.9923    23.8453     4.0602 
   H 140    2.4449    23.5892    23.2381     3.1728    23.2239     4.0751 
   H 141   21.2741     4.9180     5.8759    20.7340     1.4956    21.6347 
   H 142   21.5531     5.7825     6.7484    20.9782     2.3716    22.0426 
   H 143   22.3808     5.7138     6.7248    21.8168     2.5558    22.8153 
   H 144    4.9180    21.2741    20.7340     5.8759    21.6348     1.4956 
   H 145    5.7825    21.5531    20.9782     6.7484    22.0427     2.3716 
   H 146    5.7138    22.3807    21.8167     6.7249    22.8153     2.5558 
   H 147   23.2557     4.4827     5.5237    22.7609     2.4824    23.4155 
   H 148   24.1017     5.1613     6.1924    23.5974     3.3532    24.2860 
   H 149   24.3426     4.6983     5.7000    23.8705     3.5504    24.4041 
   H 150    4.4827    23.2557    22.7609     5.5237    23.4155     2.4825 
   H 151    5.1613    24.1017    23.5974     6.1924    24.2861     3.3533 
   H 152    4.6983    24.3426    23.8705     5.7000    24.4041     3.5505 
   H 153   10.0609    11.2357    11.0084     9.6917    10.8116    10.2029 
   H 154   11.2357    10.0609     9.6917    11.0084    10.2030    10.8115 

              C  49      C  50      C  51      C  52      C  53      C  54
              ------------------------------------------------------------------
   C  49    0.0000 
   C  50   20.7285     0.0000 
   C  51    1.0000    21.7282     0.0000 
   C  52   21.7282     1.0000    22.7279     0.0000 
   C  53    2.0000    21.7574     1.7320    22.7558     0.0000 
   C  54   21.7574     2.0000    22.7558     1.7320    22.9150     0.0000 
   C  55   22.2255     1.7320    23.2253     1.0000    23.3170     1.0000 
   C  56    1.7320    22.2255     1.0000    23.2253     1.0000    23.3170 
   C  57    7.3472    13.3923     8.3451    14.3923     8.4208    14.4961 
   C  58   13.3923     7.3472    14.3923     8.3451    14.4961     8.4208 
   C  59    3.0456    22.5107     2.6703    23.5015     4.3779    23.3357 
   C  60   22.5107     3.0456    23.5015     2.6703    23.3357     4.3779 
   C  61    4.4060    20.8441     4.6183    21.8175     6.2856    21.4963 
   C  62   20.8441     4.4060    21.8175     4.6183    21.4963     6.2856 
   C  63    8.1962    12.5363     9.1962    13.5355     9.3579    13.5823 
   C  64   12.5363     8.1962    13.5355     9.1962    13.5823     9.3579 
   C  65   11.6603     9.0760    12.6602    10.0746    12.7782    10.1374 
   C  66    9.0760    11.6603    10.0746    12.6602    10.1374    12.7782 
   C  67   23.2626     2.6458    24.2610     1.7321    24.2253     3.0000 
   C  68    2.6457    23.2625     1.7320    24.2609     2.9999    24.2252 
   C  69   21.9237     3.6056    22.9149     3.4641    23.2026     1.7321 
   C  70    3.6055    21.9238     3.4641    22.9150     1.7320    23.2027 
   C  71   23.7544     3.4641    24.7531     2.6457    24.8995     2.0000 
   C  72    3.4641    23.7544     2.6457    24.7531     2.0000    24.8995 
   C  73   10.8058     9.9282    11.8048    10.9282    11.8584    11.0646 
   C  74    9.9282    10.8058    10.9282    11.8048    11.0646    11.8584 
   H  75    2.3716    18.4125     3.3533    19.4125     3.5192    19.4929 
   H  76   18.4125     2.3716    19.4125     3.3533    19.4929     3.5192 
   H  77    4.1713    16.8402     5.1332    17.8349     5.8078    17.7475 
   H  78    4.0024    16.7754     4.9969    17.7738     5.4395    17.7640 
   H  79   16.8402     4.1713    17.8349     5.1332    17.7475     5.8078 
   H  80   16.7754     4.0024    17.7738     4.9969    17.7640     5.4395 
   H  81   16.4648     4.3746    17.4644     5.3540    17.5969     5.3187 
   H  82   17.2615     3.6019    18.2612     4.5726    18.3879     4.5312 
   H  83    4.3746    16.4648     5.3540    17.4644     5.3187    17.5969 
   H  84    3.6019    17.2615     4.5726    18.2612     4.5312    18.3879 
   H  85    3.7220    18.0554     4.5429    19.0435     5.6350    18.8629 
   H  86    4.0761    17.3132     4.9779    18.3038     5.8749    18.1538 
   H  87   18.0554     3.7220    19.0435     4.5429    18.8629     5.6350 
   H  88   17.3132     4.0761    18.3038     4.9779    18.1538     5.8749 
   H  89   17.1098     3.7556    18.1093     4.7270    18.2396     4.6776 
   H  90   17.7578     3.4095    18.7559     4.3156    18.9385     4.0016 
   H  91   18.3492     2.5816    19.3488     3.5249    19.4708     3.4584 
   H  92    3.7556    17.1098     4.7270    18.1093     4.6776    18.2396 
   H  93    3.4095    17.7578     4.3156    18.7559     4.0016    18.9385 
   H  94    2.5816    18.3492     3.5249    19.3488     3.4584    19.4708 
   H  95   18.6487     2.3452    19.6483     3.2657    19.7752     3.1513 
   H  96   19.3548     2.0295    20.3536     2.8113    20.5098     2.4059 
   H  97    2.3451    18.6488     3.2656    19.6484     3.1512    19.7753 
   H  98    2.0295    19.3548     2.8113    20.3536     2.4059    20.5098 
   H  99    4.3595    16.4179     5.3546    17.4162     5.7722    17.4054 
   H 100    5.1526    15.6223     6.1490    16.6204     6.5158    16.6091 
   H 101   16.4179     4.3595    17.4162     5.3546    17.4054     5.7722 
   H 102   15.6223     5.1526    16.6204     6.1490    16.6091     6.5158 
   H 103   20.5836     0.3460    21.5829     1.1955    21.5874     2.3455 
   H 104    0.3460    20.5836     1.1955    21.5829     2.3455    21.5874 
   H 105   19.2669     3.6547    20.2494     4.2397    20.0077     5.6546 
   H 106    3.6547    19.2669     4.2397    20.2494     5.6546    20.0077 
   H 107   14.7335     6.0754    15.7330     7.0642    15.8799     7.0375 
   H 108   15.5302     5.2901    16.5298     6.2757    16.6697     6.2456 
   H 109    6.0754    14.7335     7.0642    15.7330     7.0375    15.8799 
   H 110    5.2901    15.5302     6.2757    16.5298     6.2456    16.6697 
   H 111   20.4889     2.2901    21.4854     2.6200    21.6968     1.4158 
   H 112    2.2901    20.4889     2.6200    21.4854     1.4158    21.6968 
   H 113   20.4388     0.6200    21.4375     1.4158    21.4238     2.6200 
   H 114    0.6200    20.4388     1.4158    21.4375     2.6200    21.4238 
   H 115   23.0013     3.1172    23.9942     2.5497    23.8545     4.1779 
   H 116   22.8989     3.6655    23.8867     3.2660    23.6844     4.9556 
   H 117   22.0265     3.0989    23.0149     2.9205    22.8219     4.6525 
   H 118    3.1172    23.0013     2.5497    23.9942     4.1779    23.8545 
   H 119    3.6655    22.8989     3.2660    23.8867     4.9556    23.6844 
   H 120    3.0989    22.0265     2.9205    23.0149     4.6525    22.8219 
   H 121    4.6948    21.4387     4.7839    22.4102     6.4921    22.0732 
   H 122    4.9778    20.6747     5.2267    21.6413     6.8815    21.2739 
   H 123    4.1897    20.2509     4.5323    21.2263     6.1352    20.9218 
   H 124   21.4387     4.6948    22.4102     4.7839    22.0732     6.4921 
   H 125   20.6747     4.9778    21.6413     5.2267    21.2739     6.8815 
   H 126   20.2509     4.1897    21.2263     4.5323    20.9218     6.1352 
   H 127    7.8121    12.9616     8.8104    13.9589     9.0702    13.9454 
   H 128    8.6079    12.1668     9.6065    13.1638     9.8453    13.1495 
   H 129   12.9616     7.8121    13.9589     8.8104    13.9454     9.0702 
   H 130   12.1668     8.6079    13.1638     9.6065    13.1495     9.8453 
   H 131   11.2718     9.5108    12.2709    10.5060    12.4588    10.4881 
   H 132   12.0682     8.7183    13.0674     9.7127    13.2440     9.6933 
   H 133    9.5108    11.2718    10.5060    12.2709    10.4881    12.4588 
   H 134    8.7183    12.0682     9.7127    13.0674     9.6933    13.2440 
   H 135    2.5121    23.2345     1.5201    24.2339     2.4825    24.2425 
   H 136    3.2380    23.8816     2.2901    24.8800     3.3533    24.8452 
   H 137    2.9082    23.3072     2.1114    24.3037     3.5504    24.2238 
   H 138   23.2345     2.5121    24.2339     1.5201    24.2425     2.4825 
   H 139   23.8816     3.2380    24.8800     2.2901    24.8452     3.3533 
   H 140   23.3073     2.9083    24.3038     2.1115    24.2238     3.5505 
   H 141    3.1880    21.3511     3.1995    22.3437     1.5201    22.6149 
   H 142    4.0601    21.6968     4.0130    22.6842     2.2901    23.0153 
   H 143    4.0750    22.4989     3.8121    23.4887     2.1114    23.7920 
   H 144   21.3511     3.1880    22.3437     3.1995    22.6149     1.5201 
   H 145   21.6968     4.0601    22.6842     4.0130    23.0153     2.2901 
   H 146   22.4988     4.0750    23.4886     3.8121    23.7920     2.1114 
   H 147    3.1995    23.2367     2.5121    24.2346     1.4955    24.4061 
   H 148    4.0130    24.0974     3.2380    25.0948     2.3715    25.2761 
   H 149    3.8121    24.2769     2.9083    25.2762     2.5558    25.3984 
   H 150   23.2367     3.1995    24.2346     2.5121    24.4061     1.4955 
   H 151   24.0974     4.0130    25.0948     3.2380    25.2761     2.3715 
   H 152   24.2769     3.8121    25.2762     2.9083    25.3984     2.5558 
   H 153   10.8522     9.9475    11.8473    10.9458    11.8101    11.1784 
   H 154    9.9475    10.8522    10.9458    11.8473    11.1784    11.8101 

              C  55      C  56      C  57      C  58      C  59      C  60
              ------------------------------------------------------------------
   C  55    0.0000 
   C  56   23.7544     0.0000 
   C  57   14.9174     8.8377     0.0000 
   C  58    8.8377    14.9174     6.0827     0.0000 
   C  59   23.9004     3.4750     9.4297    15.1905     0.0000 
   C  60    3.4750    23.9004    15.1905     9.4297    24.5426     0.0000 
   C  61   22.1317     5.6015     8.4296    13.6563     2.6964    23.0857 
   C  62    5.6015    22.1317    13.6563     8.4296    23.0857     2.6964 
   C  63   14.0310     9.7348     1.0000     5.1961    10.1110    14.4374 
   C  64    9.7348    14.0310     5.1961     1.0000    14.4374    10.1110 
   C  65   10.5685    13.1887     4.3589     1.7320    13.4874    11.0797 
   C  66   13.1887    10.5685     1.7320     4.3589    11.0797    13.4874 
   C  67    2.0000    24.7275    15.9159     9.9246    25.1116     1.9737 
   C  68   24.7274     2.0000     9.9246    15.9158     1.9737    25.1115 
   C  69    2.6458    23.5361    14.8033     8.8418    23.2977     6.0993 
   C  70   23.5362     2.6457     8.8418    14.8033     6.0992    23.2978 
   C  71    1.7320    25.3095    16.4835    10.4033    25.3324     4.5690 
   C  72   25.3095     1.7320    10.4033    16.4835     4.5690    25.3324 
   C  73   11.4610    12.2997     3.4641     2.6457    12.7514    11.7928 
   C  74   12.2997    11.4610     2.6457     3.4641    11.7928    12.7514 
   H  75   19.9329     3.8242     5.0203    11.0953     4.9967    20.1498 
   H  76    3.8242    19.9329    11.0953     5.0203    20.1498     4.9967 
   H  77   18.2696     5.8749     3.7908     9.5018     5.7080    18.8347 
   H  78   18.2478     5.6350     3.4919     9.4289     5.9463    18.6658 
   H  79    5.8749    18.2696     9.5018     3.7908    18.8347     5.7080 
   H  80    5.6350    18.2478     9.4289     3.4919    18.6658     5.9463 
   H  81    5.7656    18.0079     9.1797     3.1022    18.1563     6.8492 
   H  82    4.9686    18.8029     9.9726     3.8918    18.9480     6.1840 
   H  83   18.0079     5.7656     3.1022     9.1797     6.8492    18.1563 
   H  84   18.8029     4.9686     3.8918     9.9726     6.1840    18.9480 
   H  85   19.4309     5.4394     5.2702    10.7582     4.4728    20.1539 
   H  86   18.7065     5.8077     4.4741    10.0005     5.1978    19.3825 
   H  87    5.4394    19.4309    10.7582     5.2702    20.1539     4.4728 
   H  88    5.8077    18.7065    10.0005     4.4741    19.3825     5.1978 
   H  89    5.1217    18.6525     9.8233     3.7437    18.7937     6.3231 
   H  90    4.5627    19.3248    10.5178     4.4727    19.3524     6.2279 
   H  91    3.8824    19.8894    11.0575     4.9753    20.0263     5.3519 
   H  92   18.6525     5.1217     3.7437     9.8233     6.3231    18.7937 
   H  93   19.3248     4.5627     4.4727    10.5178     6.2279    19.3524 
   H  94   19.8894     3.8824     4.9753    11.0575     5.3519    20.0263 
   H  95    3.5889    20.1915    11.3609     5.2792    20.3141     5.1913 
   H  96    2.9561    20.9114    12.0905     6.0176    20.9663     5.0474 
   H  97   20.1916     3.5888     5.2793    11.3610     5.1912    20.3141 
   H  98   20.9114     2.9561     6.0176    12.0905     5.0474    20.9663 
   H  99   17.8892     5.9857     3.1512     9.0712     6.2796    18.3154 
   H 100   17.0922     6.7648     2.4059     8.2753     7.0345    17.5344 
   H 101    5.9857    17.8892     9.0712     3.1512    18.3154     6.2796 
   H 102    6.7648    17.0922     8.2753     2.4059    17.5344     7.0345 
   H 103    2.0298    22.0677    13.2411     7.2209    22.4025     2.8754 
   H 104   22.0677     2.0298     7.2209    13.2411     2.8754    22.4025 
   H 105    5.2235    20.6055    12.0103     6.6323    21.4277     3.4292 
   H 106   20.6055     5.2235     6.6323    12.0103     3.4292    21.4277 
   H 107    7.4974    16.2811     7.4596     1.4156    16.4374     8.3745 
   H 108    6.7004    17.0757     8.2506     2.1830    17.2281     7.6616 
   H 109   16.2811     7.4974     1.4156     7.4596     8.3745    16.4374 
   H 110   17.0757     6.7004     2.1830     8.2506     7.6616    17.2281 
   H 111    2.2901    22.0703    13.2776     7.2396    22.0010     5.2280 
   H 112   22.0703     2.2901     7.2396    13.2776     5.2280    22.0010 
   H 113    2.2901    21.9131    13.0933     7.0963    22.2852     2.7990 
   H 114   21.9131     2.2901     7.0963    13.0933     2.7990    22.2852 
   H 115    3.2202    24.4072    15.6697     9.8439    24.9946     0.6200 
   H 116    4.0284    24.2666    15.5971     9.9091    24.9749     0.6200 
   H 117    3.8145    23.3992    14.7217     9.0391    24.0982     0.6200 
   H 118   24.4072     3.2202     9.8439    15.6697     0.6200    24.9946 
   H 119   24.2666     4.0284     9.9091    15.5971     0.6200    24.9749 
   H 120   23.3992     3.8145     9.0391    14.7217     0.6200    24.0982 
   H 121   22.7161     5.7393     9.0472    14.2643     2.5664    23.6941 
   H 122   21.9297     6.2135     8.5079    13.5462     3.2899    22.9724 
   H 123   21.5492     5.5304     7.8123    13.0493     2.9537    22.4780 
   H 124    5.7393    22.7161    14.2643     9.0472    23.6941     2.5664 
   H 125    6.2135    21.9297    13.5462     8.5079    22.9724     3.2899 
   H 126    5.5304    21.5492    13.0493     7.8123    22.4780     2.9537 
   H 127   14.4252     9.3938     1.0812     5.6148     9.6100    14.9336 
   H 128   13.6281    10.1834     1.5968     4.8210    10.3887    14.1611 
   H 129    9.3938    14.4252     5.6148     1.0812    14.9336     9.6100 
   H 130   10.1834    13.6281     4.8210     1.5968    14.1611    10.3887 
   H 131   10.9612    12.8320     4.0507     2.1828    13.0104    11.6005 
   H 132   10.1642    13.6250     4.8281     1.4155    13.7973    10.8452 
   H 133   12.8320    10.9612     2.1828     4.0507    11.6005    13.0104 
   H 134   13.6250    10.1642     1.4155     4.8281    10.8452    13.7973 
   H 135   24.7227     1.4956     9.8584    15.8942     2.5377    25.0209 
   H 136   25.3474     2.3716    10.5391    16.5350     2.3302    25.7239 
   H 137   24.7478     2.5557    10.0287    15.9616     1.4559    25.2170 
   H 138    1.4956    24.7227    15.8942     9.8584    25.0209     2.5377 
   H 139    2.3716    25.3474    16.5350    10.5391    25.7239     2.3302 
   H 140    2.5558    24.7478    15.9617    10.0288    25.2171     1.4559 
   H 141   22.9570     2.5121     8.2328    14.2098     5.8682    22.7581 
   H 142   23.3249     3.2380     8.7510    14.6396     6.6680    23.0023 
   H 143   24.1174     2.9083     9.4523    15.3989     6.3824    23.8413 
   H 144    2.5121    22.9570    14.2098     8.2328    22.7581     5.8682 
   H 145    3.2380    23.3249    14.6396     8.7510    23.0023     6.6680 
   H 146    2.9083    24.1173    15.3988     9.4522    23.8412     6.3824 
   H 147   24.8026     1.5200     9.9139    15.9863     4.7348    24.7810 
   H 148   25.6680     2.2901    10.7862    16.8557     5.1774    25.6188 
   H 149   25.8213     2.1114    10.9061    16.9888     4.4835    25.8869 
   H 150    1.5200    24.8026    15.9863     9.9139    24.7810     4.7348 
   H 151    2.2901    25.6680    16.8557    10.7862    25.6188     5.1774 
   H 152    2.1114    25.8213    16.9888    10.9061    25.8869     4.4835 
   H 153   11.5244    12.2969     3.5191     2.8291    12.9166    11.6714 
   H 154   12.2969    11.5244     2.8291     3.5191    11.6714    12.9166 

              C  61      C  62      C  63      C  64      C  65      C  66
              ------------------------------------------------------------------
   C  61    0.0000 
   C  62   21.8656     0.0000 
   C  63    8.8926    13.0182     0.0000 
   C  64   13.0182     8.8926     4.3589     0.0000 
   C  65   12.0287     9.8926     3.4641     1.0000     0.0000 
   C  66    9.8926    12.0287     1.0000     3.4641     2.6457     0.0000 
   C  67   23.4788     4.5950    15.0883    10.7312    11.6426    14.1867 
   C  68    4.5950    23.4787    10.7311    15.0882    14.1867    11.6426 
   C  69   21.3114     7.9806    13.8472     9.8270    10.4897    13.1256 
   C  70    7.9805    21.3115     9.8270    13.8473    13.1256    10.4897 
   C  71   23.4765     7.0244    15.5750    11.3293    12.1249    14.7622 
   C  72    7.0244    23.4765    11.3293    15.5750    14.7622    12.1249 
   C  73   11.4310    10.4347     2.6457     1.7320     1.0000     1.7320 
   C  74   10.4347    11.4310     1.7320     2.6457     1.7320     1.0000 
   H  75    5.2560    18.4725     5.9106    10.2163     9.3657     6.7523 
   H  76   18.4725     5.2560    10.2163     5.9106     6.7523     9.3657 
   H  77    4.6997    17.4103     4.4065     8.7314     7.7886     5.3845 
   H  78    5.2623    17.1452     4.2470     8.6059     7.6995     5.1784 
   H  79   17.4103     4.6997     8.7314     4.4065     5.3845     7.7886 
   H  80   17.1452     5.2623     8.6059     4.2470     5.1784     7.6995 
   H  81   16.4698     6.5716     8.2754     4.0507     4.8211     7.4597 
   H  82   17.2452     6.1444     9.0713     4.8282     5.6149     8.2506 
   H  83    6.5716    16.4698     4.0507     8.2754     7.4597     4.8211 
   H  84    6.1444    17.2452     4.8282     9.0713     8.2506     5.6149 
   H  85    3.1756    18.8144     5.7982    10.0446     9.0755     6.7932 
   H  86    3.9630    18.0242     5.0064     9.2716     8.3083     6.0000 
   H  87   18.8144     3.1756    10.0446     5.7982     6.7932     9.0755 
   H  88   18.0242     3.9630     9.2716     5.0064     6.0000     8.3083 
   H  89   17.0910     6.2421     8.9203     4.6842     5.4651     8.1022 
   H  90   17.5697     6.5181     9.5919     5.4429     6.1648     8.8105 
   H  91   18.3007     5.7149    10.1585     5.9015     6.7008     9.3339 
   H  92    6.2421    17.0910     4.6842     8.9203     8.1022     5.4651 
   H  93    6.5181    17.5697     5.4429     9.5919     8.8105     6.1648 
   H  94    5.7149    18.3007     5.9015    10.1585     9.3339     6.7008 
   H  95   18.5752     5.6967    10.4596     6.2078     7.0034     9.6381 
   H  96   19.1767     5.9327    11.1767     6.9622     7.7318    10.3735 
   H  97    5.6966    18.5753     6.2079    10.4597     9.6381     7.0035 
   H  98    5.9327    19.1767     6.9622    11.1767    10.3735     7.7318 
   H  99    5.5031    16.8073     3.8917     8.2505     7.3421     4.8281 
   H 100    6.0908    16.0538     3.1021     7.4596     6.5469     4.0506 
   H 101   16.8073     5.5031     8.2505     3.8917     4.8281     7.3421 
   H 102   16.0538     6.0908     7.4596     3.1021     4.0506     6.5469 
   H 103   20.7688     4.0839    12.3980     8.0474     8.9441    11.5097 
   H 104    4.0839    20.7688     8.0474    12.3980    11.5097     8.9441 
   H 105   20.1371     1.8116    11.3296     7.1326     8.1309    10.3500 
   H 106    1.8116    20.1371     7.1326    11.3296    10.3500     8.1309 
   H 107   14.7929     7.7053     6.5469     2.4059     3.1022     5.7469 
   H 108   15.5632     7.1539     7.3422     3.1513     3.8918     6.5339 
   H 109    7.7053    14.7929     2.4059     6.5469     5.7469     3.1022 
   H 110    7.1539    15.5632     3.1513     7.3422     6.5339     3.8918 
   H 111   20.1246     6.6527    12.3437     8.2061     8.9292    11.5748 
   H 112    6.6527    20.1246     8.2061    12.3437    11.5748     8.9292 
   H 113   20.6770     3.8480    12.2602     7.9044     8.8134    11.3630 
   H 114    3.8480    20.6770     7.9044    12.2602    11.3630     8.8134 
   H 115   23.4959     3.3073    14.8993    10.5572    11.5151    13.9587 
   H 116   23.5582     2.6499    14.8645    10.5597    11.5374    13.9050 
   H 117   22.6851     2.0910    13.9878     9.6839    10.6625    13.0286 
   H 118    3.3073    23.4959    10.5572    14.8993    13.9587    11.5151 
   H 119    2.6499    23.5582    10.5597    14.8645    13.9050    11.5374 
   H 120    2.0910    22.6851     9.6839    13.9878    13.0286    10.6625 
   H 121    0.6200    22.4831     9.5126    13.6321    12.6416    10.5125 
   H 122    0.6200    21.8186     8.9067    12.9443    11.9489     9.9050 
   H 123    0.6200    21.2481     8.2727    12.4048    11.4164     9.2726 
   H 124   22.4831     0.6200    13.6321     9.5126    10.5125    12.6416 
   H 125   21.8186     0.6200    12.9443     8.9067     9.9050    11.9489 
   H 126   21.2481     0.6200    12.4048     8.2727     9.2726    11.4164 
   H 127    8.3146    13.5689     0.6200     4.8281     3.8917     1.5967 
   H 128    9.0260    12.8404     0.6200     4.0506     3.1021     1.0812 
   H 129   13.5689     8.3146     4.8281     0.6200     1.5967     3.8917 
   H 130   12.8404     9.0260     4.0506     0.6200     1.0812     3.1021 
   H 131   11.4883    10.4758     3.1022     1.5967     0.6200     2.4059 
   H 132   12.2409     9.7993     3.8917     1.0812     0.6200     3.1512 
   H 133   10.4758    11.4883     1.5967     3.1022     2.4059     0.6200 
   H 134    9.7993    12.2409     1.0812     3.8917     3.1512     0.6200 
   H 135    5.0850    23.3347    10.6990    15.0448    14.1624    11.5863 
   H 136    5.0166    24.0804    11.3493    15.7058    14.8056    12.2585 
   H 137    4.1398    23.6381    10.7989    15.1569    14.2380    11.7315 
   H 138   23.3347     5.0850    15.0448    10.6990    11.5863    14.1624 
   H 139   24.0804     5.0166    15.7058    11.3493    12.2585    14.8056 
   H 140   23.6382     4.1399    15.1570    10.7990    11.7316    14.2381 
   H 141    7.5923    20.7992     9.2158    13.2577    12.5269     9.8881 
   H 142    8.4614    20.9727     9.7454    13.6721    12.9822    10.3616 
   H 143    8.3966    21.8293    10.4392    14.4393    13.7262    11.0933 
   H 144   20.7992     7.5923    13.2577     9.2158     9.8881    12.5269 
   H 145   20.9727     8.4614    13.6721     9.7454    10.3616    12.9822 
   H 146   21.8292     8.3966    14.4392    10.4392    11.0932    13.7262 
   H 147    7.0572    22.9040    10.8531    15.0684    14.2701    11.6279 
   H 148    7.6444    23.7186    11.7277    15.9347    15.1412    12.4980 
   H 149    7.0462    24.0513    11.8189    16.0896    15.2635    12.6328 
   H 150   22.9040     7.0572    15.0684    10.8531    11.6279    14.2701 
   H 151   23.7186     7.6444    15.9347    11.7277    12.4980    15.1412 
   H 152   24.0513     7.0462    16.0896    11.8189    12.6328    15.2635 
   H 153   11.7092    10.1899     2.8292     1.8396     1.4157     1.8397 
   H 154   10.1899    11.7092     1.8396     2.8292     1.8397     1.4157 

              C  67      C  68      C  69      C  70      C  71      C  72
              ------------------------------------------------------------------
   C  67    0.0000 
   C  68   25.8191     0.0000 
   C  69    4.5827    24.3130     0.0000 
   C  70   24.3132     4.5825    23.6142     0.0000 
   C  71    2.6458    26.2249     2.6458    25.1645     0.0000 
   C  72   26.2250     2.6457    25.1644     2.6457    26.8863     0.0000 
   C  73   12.4584    13.3642    11.4641    12.1610    13.0437    13.8491 
   C  74   13.3643    12.4583    12.1610    11.4641    13.8491    13.0437 
   H  75   20.9289     5.0104    19.7256     4.4187    21.4854     5.4428 
   H  76    5.0105    20.9288     4.4186    19.7257     5.4428    21.4854 
   H  77   19.4264     6.4872    17.8286     6.8637    19.7474     7.5914 
   H  78   19.3347     6.4872    17.9222     6.3409    19.7623     7.3135 
   H  79    6.4873    19.4263     6.8637    17.8287     7.5914    19.7474 
   H  80    6.4872    19.3346     6.3409    17.9223     7.3135    19.7623 
   H  81    7.0106    18.9619     5.8233    17.8968     7.3038    19.5827 
   H  82    6.2450    19.7588     5.1141    18.6752     6.5116    20.3748 
   H  83   18.9620     7.0105    17.8967     5.8233    19.5827     7.3038 
   H  84   19.7589     6.2449    18.6751     5.1141    20.3748     6.5116 
   H  85   20.6657     5.5908    18.8404     6.9905    20.8597     7.1639 
   H  86   19.9169     6.1773    18.1685     7.0886    20.1524     7.5395 
   H  87    5.5908    20.6656     6.9905    18.8405     7.1639    20.8597 
   H  88    6.1774    19.9168     7.0886    18.1685     7.5395    20.1524 
   H  89    6.3982    19.6058     5.2360    18.5314     6.6603    20.2260 
   H  90    6.0358    20.2240     4.4046    19.2755     6.0010    20.9178 
   H  91    5.2247    20.8456     4.1829    19.7445     5.4296    21.4588 
   H  92   19.6059     6.3981    18.5314     5.2361    20.2260     6.6603 
   H  93   20.2241     6.0357    19.2755     4.4046    20.9178     6.0010 
   H  94   20.8456     5.2246    19.7444     4.1829    21.4588     5.4296 
   H  95    4.9780    21.1417     3.8982    20.0515     5.1245    21.7627 
   H  96    4.5430    21.8303     3.1102    20.8095     4.3997    22.4938 
   H  97   21.1419     4.9778    20.0515     3.8982    21.7628     5.1245 
   H  98   21.8304     4.5429    20.8094     3.1102    22.4938     4.3997 
   H  99   18.9784     6.8447    17.5661     6.6305    19.4036     7.6584 
   H 100   18.1853     7.6406    16.7775     7.2870    18.6072     8.4248 
   H 101    6.8448    18.9783     6.6304    17.5662     7.6584    19.4036 
   H 102    7.6407    18.1852     7.2870    16.7775     8.4248    18.6072 
   H 103    2.7125    23.1284     3.9463    21.7305     3.7577    23.5857 
   H 104   23.1285     2.7124    21.7304     3.9463    23.5857     3.7577 
   H 105    4.8891    21.8893     7.2093    19.9142     6.8711    21.9991 
   H 106   21.8894     4.8891    19.9142     7.2093    21.9991     6.8711 
   H 107    8.6938    17.2302     7.4262    16.2117     9.0284    17.8627 
   H 108    7.9166    18.0271     6.6805    16.9860     8.2343    18.6539 
   H 109   17.2303     8.6937    16.2116     7.4262    17.8627     9.0284 
   H 110   18.0272     7.9165    16.9859     6.6806    18.6539     8.2343 
   H 111    4.2101    22.9302     1.7732    22.0427     3.3533    23.6727 
   H 112   22.9302     4.2100    22.0426     1.7733    23.6727     3.3533 
   H 113    2.8292    22.9913     4.2101    21.5496     4.0130    23.4227 
   H 114   22.9914     2.8291    21.5495     4.2100    23.4227     4.0130 
   H 115    1.4828    25.5940     5.8660    23.8401     4.1258    25.8526 
   H 116    2.3595    25.5089     6.6670    23.6078     5.0019    25.6783 
   H 117    2.5220    24.6350     6.3845    22.7594     5.0496    24.8168 
   H 118   25.5941     1.4828    23.8400     5.8659    25.8526     4.1258 
   H 119   25.5090     2.3596    23.6077     6.6670    25.6783     5.0019 
   H 120   24.6351     2.5220    22.7593     6.3845    24.8168     5.0496 
   H 121   24.0752     4.5302    21.8685     8.2102    24.0504     7.0595 
   H 122   23.3150     5.2069    21.0430     8.5668    23.2462     7.6443 
   H 123   22.8836     4.7407    20.7579     7.7936    22.9049     7.0439 
   H 124    4.5302    24.0751     8.2103    21.8685     7.0595    24.0504 
   H 125    5.2069    23.3149     8.5668    21.0431     7.6443    23.2462 
   H 126    4.7407    22.8835     7.7936    20.7580     7.0439    22.9049 
   H 127   15.5343    10.3050    14.1455     9.6392    15.9428    11.0208 
   H 128   14.7431    11.1016    13.3616    10.3719    15.1466    11.8029 
   H 129   10.3051    15.5342     9.6392    14.1456    11.0208    15.9428 
   H 130   11.1017    14.7430    10.3718    13.3616    11.8029    15.1466 
   H 131   12.1016    13.7673    10.7527    12.8790    12.4836    14.4315 
   H 132   11.3144    14.5640     9.9790    13.6400    11.6881    15.2197 
   H 133   13.7673    12.1015    12.8789    10.7528    14.4315    12.4836 
   H 134   14.5641    11.3143    13.6399     9.9791    15.2197    11.6881 
   H 135   25.7730     0.6199    24.3744     4.0019    26.2410     2.0403 
   H 136   26.4369     0.6201    24.9308     4.8212    26.8449     2.6009 
   H 137   25.8801     0.6200    24.2674     5.1723    26.2236     3.2566 
   H 138    0.6200    25.7729     4.0020    24.3745     2.0403    26.2410 
   H 139    0.6200    26.4368     4.8213    24.9309     2.6009    26.8449 
   H 140    0.6200    25.8801     5.1725    24.2676     3.2567    26.2237 
   H 141   23.7529     4.5067    23.0136     0.6200    24.5800     2.9083 
   H 142   24.0572     5.1927    23.4697     0.6201    24.9670     3.2380 
   H 143   24.8763     4.7389    24.2157     0.6200    25.7507     2.5120 
   H 144    4.5068    23.7528     0.6200    23.0137     2.9083    24.5800 
   H 145    5.1928    24.0571     0.6200    23.4698     3.2380    24.9670 
   H 146    4.7391    24.8761     0.6200    24.2157     2.5121    25.7506 
   H 147   25.6944     2.9083    24.6981     2.0402    26.3893     0.6200 
   H 148   26.5478     3.2380    25.5735     2.6008    27.2582     0.6200 
   H 149   26.7594     2.5121    25.6373     3.2566    27.3882     0.6200 
   H 150    2.9083    25.6943     2.0403    24.6982     0.6200    26.3893 
   H 151    3.2380    26.5477     2.6009    25.5736     0.6200    27.2582 
   H 152    2.5121    26.7594     3.2567    25.6374     0.6200    27.3882 
   H 153   12.4307    13.4417    11.6664    12.0250    13.1404    13.8078 
   H 154   13.4418    12.4306    12.0249    11.6664    13.8078    13.1404 

              C  73      C  74      H  75      H  76      H  77      H  78
              ------------------------------------------------------------------
   C  73    0.0000 
   C  74    1.0000     0.0000 
   H  75    8.4843     7.6371     0.0000 
   H  76    7.6371     8.4843    16.1127     0.0000 
   H  77    7.0438     6.0860     2.4530    14.4896     0.0000 
   H  78    6.8876     5.9716     1.9444    14.4439     0.7971     0.0000 
   H  79    6.0860     7.0438    14.4896     2.4530    13.1267    12.9661 
   H  80    5.9716     6.8876    14.4439     1.9444    12.9661    12.8529 
   H  81    5.7470     6.5470    14.1841     2.0030    12.5079    12.4830 
   H  82    6.5339     7.3422    14.9792     1.2376    13.3034    13.2800 
   H  83    6.5470     5.7470     2.0030    14.1841     2.2581     1.4712 
   H  84    7.3422     6.5339     1.2376    14.9792     2.2963     1.5291 
   H  85    8.3977     7.4157     2.9378    15.6905     1.5279     2.1653 
   H  86    7.6145     6.6367     2.7883    14.9520     0.7847     1.5278 
   H  87    7.4157     8.3977    15.6905     2.9378    14.4511    14.2451 
   H  88    6.6367     7.6145    14.9520     2.7883    13.6773    13.4830 
   H  89    6.3870     7.1916    14.8288     1.3894    13.1497    13.1275 
   H  90    7.1151     7.8743    15.5013     1.2842    13.7482    13.7630 
   H  91    7.6141     8.4290    16.0659     0.4683    14.3877    14.3675 
   H  92    7.1916     6.3870     1.3894    14.8288     2.2921     1.5097 
   H  93    7.8743     7.1151     1.2842    15.5013     3.0449     2.3039 
   H  94    8.4290     7.6141     0.4683    16.0659     2.7698     2.1673 
   H  95    7.9193     8.7307    16.3678     0.5869    14.6808    14.6652 
   H  96    8.6627     9.4525    17.0873     1.3134    15.3578    15.3636 
   H  97    8.7308     7.9193     0.5869    16.3679     3.0114     2.4433 
   H  98    9.4525     8.6627     1.3134    17.0873     3.7661     3.2325 
   H  99    6.5338     5.6148     2.2625    14.0857     0.8672     0.3587 
   H 100    5.7469     4.8210     2.9966    13.2891     1.3996     1.1557 
   H 101    5.6148     6.5338    14.0857     2.2625    12.6143    12.4975 
   H 102    4.8210     5.7469    13.2891     2.9966    11.8307    11.7061 
   H 103    9.7783    10.6702    18.2597     2.3155    16.7218    16.6418 
   H 104   10.6702     9.7783     2.3155    18.2597     3.9378     3.8235 
   H 105    8.7177     9.7075    16.8971     3.7459    15.7337    15.5020 
   H 106    9.7075     8.7177     3.7459    16.8971     2.8881     3.4673 
   H 107    4.0507     4.8211    12.4570     3.7125    10.7798    10.7509 
   H 108    4.8282     5.6149    13.2516     2.9225    11.5749    11.5480 
   H 109    4.8211     4.0507     3.7125    12.4570     3.0170     2.4835 
   H 110    5.6149     4.8282     2.9225    13.2516     2.5524     1.8921 
   H 111    9.8822    10.6324    18.2487     2.6457    16.4452    16.4889 
   H 112   10.6324     9.8822     2.6457    18.2487     5.0909     4.5738 
   H 113    9.6332    10.5354    18.1094     2.2701    16.5978    16.5062 
   H 114   10.5354     9.6332     2.2701    18.1094     3.7365     3.6656 
   H 115   12.2536    13.2020    20.6447     5.2486    19.2880    19.1361 
   H 116   12.2241    13.1921    20.5335     5.5807    19.2678    19.0804 
   H 117   11.3473    12.3156    19.6619     4.8119    18.3910    18.2044 
   H 118   13.2020    12.2536     5.2486    20.6447     6.1701     6.3522 
   H 119   13.1921    12.2241     5.5807    20.5335     6.1537     6.4419 
   H 120   12.3156    11.3473     4.8119    19.6619     5.2783     5.5799 
   H 121   12.0488    11.0521     5.7502    19.0675     5.3090     5.8556 
   H 122   11.3944    10.3948     5.6679    18.3049     4.8597     5.4841 
   H 123   10.8134     9.8176     4.7913    17.8793     4.0936     4.6760 
   H 124   11.0521    12.0488    19.0675     5.7502    18.0221    17.7520 
   H 125   10.3948    11.3944    18.3049     5.6679    17.3183    17.0267 
   H 126    9.8176    10.8134    17.8793     4.7913    16.7992    16.5393 
   H 127    3.1512     2.1829     5.5801    10.6239     3.9033     3.8227 
   H 128    2.4059     1.4155     6.3657     9.8275     4.6867     4.6198 
   H 129    2.1829     3.1512    10.6239     5.5801     9.2258     9.0653 
   H 130    1.4155     2.4059     9.8275     6.3657     8.4547     8.2794 
   H 131    1.0813     1.4156     9.0088     7.1641     7.3294     7.2868 
   H 132    1.5968     2.1829     9.8012     6.3687     8.1223     8.0839 
   H 133    1.4156     1.0813     7.1641     9.0088     5.9252     5.6722 
   H 134    2.1829     1.5968     6.3687     9.8012     5.1960     4.9055 
   H 135   13.3152    12.4307     4.8733    20.9135     6.5546     6.4788 
   H 136   13.9811    13.0769     5.6083    21.5484     7.1062     7.1061 
   H 137   13.4417    12.5167     5.2180    20.9626     6.4787     6.5545 
   H 138   12.4307    13.3152    20.9135     4.8733    19.3522    19.2857 
   H 139   13.0769    13.9811    21.5484     5.6083    20.0408    19.9519 
   H 140   12.5168    13.4418    20.9626     5.2181    19.5201    19.4033 
   H 141   11.5659    10.8594     3.8131    19.1433     6.2626     5.7282 
   H 142   12.0060    11.3470     4.5826    19.5245     7.0348     6.4598 
   H 143   12.7584    12.0704     5.0277    20.3101     7.4678     6.9550 
   H 144   10.8594    11.5659    19.1433     3.8131    17.2665    17.3489 
   H 145   11.3470    12.0060    19.5245     4.5826    17.5803    17.6994 
   H 146   12.0703    12.7584    20.3101     5.0277    18.3944    18.4985 
   H 147   13.3467    12.5584     5.0047    20.9787     7.2375     6.9098 
   H 148   14.2147    13.4312     5.8808    21.8445     8.0967     7.7819 
   H 149   14.3608    13.5400     5.9135    21.9978     7.9779     7.7459 
   H 150   12.5584    13.3467    20.9787     5.0047    19.2125    19.2406 
   H 151   13.4312    14.2147    21.8445     5.8808    20.0638    20.0996 
   H 152   13.5400    14.3608    21.9978     5.9135    20.2872    20.2895 
   H 153    0.6200     1.4158     8.5043     7.7055     7.2241     7.0016 
   H 154    1.4158     0.6200     7.7055     8.5043     5.9880     5.9552 

              H  79      H  80      H  81      H  82      H  83      H  84
              ------------------------------------------------------------------
   H  79    0.0000 
   H  80    0.7971     0.0000 
   H  81    2.2581     1.4712     0.0000 
   H  82    2.2963     1.5291     0.7971     0.0000 
   H  83   12.5079    12.4830    12.2793    13.0711     0.0000 
   H  84   13.3034    13.2800    13.0711    13.8635     0.7971     0.0000 
   H  85   14.4511    14.2451    13.6936    14.4836     3.5902     3.3671 
   H  86   13.6773    13.4830    12.9589    13.7511     2.9976     2.9213 
   H  87    1.5279     2.1653     3.5902     3.3671    13.6936    14.4836 
   H  88    0.7847     1.5278     2.9976     2.9213    12.9589    13.7511 
   H  89    2.2921     1.5097     0.6450     0.1546    12.9224    13.7145 
   H  90    3.0449     2.3039     1.4196     0.7967    13.6200    14.4081 
   H  91    2.7698     2.1673     1.8846     1.0877    14.1549    14.9479 
   H  92   13.1497    13.1275    12.9224    13.7145     0.6450     0.1546 
   H  93   13.7482    13.7630    13.6200    14.4081     1.4196     0.7967 
   H  94   14.3877    14.3675    14.1549    14.9479     1.8846     1.0877 
   H  95    3.0114     2.4432     2.1843     1.3886    14.4589    15.2516 
   H  96    3.7661     3.2325     2.9157     2.1349    15.1915    15.9823 
   H  97   14.6809    14.6653    14.4590    15.2517     2.1844     1.3887 
   H  98   15.3578    15.3636    15.1915    15.9823     2.9157     2.1349 
   H  99   12.6143    12.4975    12.1244    12.9214     1.4516     1.6889 
   H 100   11.8307    11.7061    11.3273    12.1244     1.6889     2.2064 
   H 101    0.8672     0.3587     1.4516     1.6889    12.1244    12.9214 
   H 102    1.3996     1.1557     1.6889     2.2064    11.3273    12.1244 
   H 103    3.9378     3.8235     4.3058     3.5530    16.3040    17.1010 
   H 104   16.7218    16.6418    16.3040    17.1010     4.3058     3.5530 
   H 105    2.8881     3.4673     4.8221     4.4692    14.8954    15.6799 
   H 106   15.7337    15.5020    14.8954    15.6799     4.8221     4.4692 
   H 107    3.0170     2.4835     1.7321     2.5292    10.5613    11.3513 
   H 108    2.5524     1.8921     0.9350     1.7320    11.3514    12.1424 
   H 109   10.7798    10.7509    10.5613    11.3513     1.7321     2.5292 
   H 110   11.5749    11.5480    11.3514    12.1424     0.9350     1.7320 
   H 111    5.0909     4.5738     4.1608     3.4123    16.3794    17.1657 
   H 112   16.4452    16.4889    16.3794    17.1657     4.1608     3.4123 
   H 113    3.7365     3.6656     4.2337     3.5008    16.1480    16.9451 
   H 114   16.5978    16.5062    16.1480    16.9451     4.2337     3.5008 
   H 115    6.1701     6.3522     7.1633     6.4645    18.6553    19.4487 
   H 116    6.1537     6.4419     7.4012     6.7535    18.5357    19.3248 
   H 117    5.2783     5.5799     6.5786     5.9550    17.6649    18.4546 
   H 118   19.2880    19.1361    18.6553    19.4487     7.1633     6.4645 
   H 119   19.2678    19.0804    18.5357    19.3248     7.4012     6.7535 
   H 120   18.3910    18.2044    17.6649    18.4546     6.5786     5.9550 
   H 121   18.0221    17.7520    17.0652    17.8387     7.1409     6.6862 
   H 122   17.3183    17.0267    16.3046    17.0729     6.8509     6.4807 
   H 123   16.7992    16.5393    15.8763    16.6537     6.0124     5.6188 
   H 124    5.3090     5.8556     7.1409     6.6862    17.0652    17.8387 
   H 125    4.8597     5.4841     6.8509     6.4807    16.3046    17.0729 
   H 126    4.0936     4.6760     6.0124     5.6188    15.8763    16.6537 
   H 127    9.2258     9.0653     8.6603     9.4574     3.8190     4.5664 
   H 128    8.4547     8.2794     7.8632     8.6602     4.5665     5.3283 
   H 129    3.9033     3.8227     3.8190     4.5664     8.6603     9.4574 
   H 130    4.6867     4.6198     4.5665     5.3283     7.8632     8.6602 
   H 131    5.9252     5.6722     5.1962     5.9932     7.1459     7.9280 
   H 132    5.1960     4.9055     4.3991     5.1962     7.9280     8.7128 
   H 133    7.3294     7.2868     7.1459     7.9280     5.1962     5.9932 
   H 134    8.1223     8.0839     7.9280     8.7128     4.3991     5.1962 
   H 135   19.3522    19.2857    18.9593    19.7563     6.8739     6.0911 
   H 136   20.0408    19.9519    19.5818    20.3787     7.6106     6.8399 
   H 137   19.5200    19.4032    18.9848    19.7808     7.1982     6.4549 
   H 138    6.5546     6.4788     6.8739     6.0911    18.9593    19.7563 
   H 139    7.1062     7.1061     7.6106     6.8399    19.5818    20.3787 
   H 140    6.4788     6.5546     7.1983     6.4550    18.9849    19.7809 
   H 141   17.2665    17.3489    17.3058    18.0859     5.2056     4.4942 
   H 142   17.5803    17.6994    17.7224    18.4948     5.8055     5.1421 
   H 143   18.3945    18.4986    18.4897    19.2663     6.4414     5.7340 
   H 144    6.2626     5.7282     5.2056     4.4942    17.3058    18.0859 
   H 145    7.0348     6.4598     5.8055     5.1421    17.7224    18.4948 
   H 146    7.4678     6.9549     6.4414     5.7340    18.4896    19.2662 
   H 147   19.2125    19.2406    19.0876    19.8780     6.8117     6.0257 
   H 148   20.0638    20.0996    19.9574    20.7472     7.6842     6.8999 
   H 149   20.2872    20.2895    20.0846    20.8782     7.8142     7.0186 
   H 150    7.2375     6.9098     6.8117     6.0257    19.0876    19.8780 
   H 151    8.0967     7.7819     7.6842     6.8999    19.9574    20.7472 
   H 152    7.9779     7.7459     7.8142     7.0186    20.0846    20.8782 
   H 153    5.9880     5.9552     5.8840     6.6547     6.5313     7.3282 
   H 154    7.2241     7.0016     6.5313     7.3282     5.8840     6.6547 

              H  85      H  86      H  87      H  88      H  89      H  90
              ------------------------------------------------------------------
   H  85    0.0000 
   H  86    0.7971     0.0000 
   H  87   15.8122    15.0302     0.0000 
   H  88   15.0302    14.2497     0.7971     0.0000 
   H  89   14.3291    13.5968     3.4209     2.9443     0.0000 
   H  90   14.8805    14.1639     3.9641     3.6114     0.8769     0.0000 
   H  91   15.5596    14.8303     3.3816     3.1802     1.2399     0.8768 
   H  92    3.4209     2.9443    14.3291    13.5968    13.5656    14.2609 
   H  93    3.9641     3.6114    14.8805    14.1639    14.2609    14.9753 
   H  94    3.3816     3.1802    15.5596    14.8303    14.7986    15.4882 
   H  95   15.8460    15.1190     3.5152     3.3739     1.5393     1.0655 
   H  96   16.4945    15.7772     4.1032     4.0618     2.2781     1.6140 
   H  97    3.5152     3.3739    15.8461    15.1191    15.1025    15.7936 
   H  98    4.1032     4.0618    16.4945    15.7772    15.8340    16.5353 
   H  99    2.3591     1.6499    13.8984    13.1348    12.7689    13.4044 
   H 100    2.9152     2.1342    13.1257    12.3589    11.9719    12.6084 
   H 101   13.8984    13.1348     2.3591     1.6499     1.6385     2.4834 
   H 102   13.1257    12.3589     2.9152     2.1342     2.1112     2.9880 
   H 103   17.9543    17.2068     3.4099     3.7976     3.7044     3.4378 
   H 104    3.4099     3.7976    17.9543    17.2068    16.9488    17.5864 
   H 105   17.1138    16.3279     1.3661     2.1588     4.5510     4.9410 
   H 106    1.3661     2.1588    17.1138    16.3279    15.5253    16.0453 
   H 107   11.9800    11.2397     4.5434     3.7879     2.3768     3.0653 
   H 108   12.7680    12.0304     4.0410     3.3369     1.5797     2.2922 
   H 109    4.5434     3.7879    11.9800    11.2397    11.2033    11.9115 
   H 110    4.0410     3.3369    12.7680    12.0304    11.9940    12.6970 
   H 111   17.5295    16.8307     5.2854     5.3348     3.5449     2.7671 
   H 112    5.2854     5.3348    17.5295    16.8307    17.0192    17.7392 
   H 113   17.8432    17.0918     3.1510     3.5623     3.6494     3.4480 
   H 114    3.1510     3.5623    17.8432    17.0918    16.7925    17.4222 
   H 115   20.5900    19.8232     5.0008     5.7018     6.6089     6.4367 
   H 116   20.6037    19.8282     4.8437     5.5974     6.8901     6.8231 
   H 117   19.7276    18.9518     3.9714     4.7215     6.0873     6.0754 
   H 118    5.0008     5.7018    20.5900    19.8232    19.2945    19.8656 
   H 119    4.8437     5.5974    20.6037    19.8282    19.1703    19.7113 
   H 120    3.9714     4.7215    19.7276    18.9518    18.3001    18.8455 
   H 121    3.7881     4.5782    19.4291    18.6385    17.6845    18.1553 
   H 122    3.3368     4.0930    18.7420    17.9488    16.9191    17.3724 
   H 123    2.5666     3.3497    18.2001    17.4104    16.4993    16.9866 
   H 124   19.4291    18.6385     3.7881     4.5782     6.7893     7.0243 
   H 125   18.7420    17.9488     3.3368     4.0930     6.5682     6.9076 
   H 126   18.2001    17.4104     2.5666     3.3497     5.7098     6.0334 
   H 127    5.2489     4.4637    10.5668     9.7876     9.3049     9.9458 
   H 128    6.0005     5.2230     9.8132     9.0299     8.5077     9.1505 
   H 129   10.5668     9.7876     5.2489     4.4637     4.4303     5.2351 
   H 130    9.8132     9.0299     6.0005     5.2230     5.1888     5.9741 
   H 131    8.5753     7.8184     7.3587     6.5630     5.8408     6.4928 
   H 132    9.3549     8.6026     6.6569     5.8598     5.0437     5.7003 
   H 133    7.3587     6.5630     8.5753     7.8184     7.7828     8.5232 
   H 134    6.6569     5.8598     9.3549     8.6026     8.5667     9.2979 
   H 135    5.7855     6.3152    20.5635    19.8233    19.6041    20.2413 
   H 136    6.1909     6.7887    21.2759    20.5285    20.2258    20.8440 
   H 137    5.4599     6.0998    20.7858    20.0292    19.6272    20.2257 
   H 138   20.5635    19.8233     5.7855     6.3152     6.2456     5.8080 
   H 139   21.2759    20.5285     6.1909     6.7887     6.9935     6.6057 
   H 140   20.7859    20.0293     5.4599     6.0999     6.6057     6.3165 
   H 141    6.4399     6.5084    18.2958    17.6172    17.9415    18.6810 
   H 142    7.2852     7.3211    18.5563    17.8977    18.3529    19.1113 
   H 143    7.5519     7.6751    19.3895    18.7241    19.1231    19.8715 
   H 144   18.2958    17.6172     6.4399     6.5084     4.6165     3.7876 
   H 145   18.5563    17.8977     7.2852     7.3211     5.2519     4.3915 
   H 146   19.3894    18.7240     7.5519     7.6750     5.8557     5.0223 
   H 147    6.9213     7.2415    20.3090    19.6070    19.7299    20.4317 
   H 148    7.7288     8.0782    21.1479    20.4506    20.5994    21.3037 
   H 149    7.4503     7.8752    21.4142    20.7020    20.7287    21.4108 
   H 150   20.3090    19.6070     6.9213     7.2415     6.1716     5.4793 
   H 151   21.1479    20.4506     7.7288     8.0782     7.0452     6.3432 
   H 152   21.4142    20.7020     7.4503     7.8752     7.1693     6.5399 
   H 153    8.6273     7.8356     7.2437     6.4823     6.5129     7.2813 
   H 154    7.2437     6.4823     8.6273     7.8356     7.1753     7.8103 

              H  91      H  92      H  93      H  94      H  95      H  96
              ------------------------------------------------------------------
   H  91    0.0000 
   H  92   14.7986     0.0000 
   H  93   15.4882     0.8769     0.0000 
   H  94   16.0327     1.2399     0.8768     0.0000 
   H  95    0.3075    15.1024    15.7935    16.3361     0.0000 
   H  96    1.0967    15.8340    16.5353    17.0649     0.7971     0.0000 
   H  97   16.3362     1.5394     1.0656     0.3075    16.6398    17.3695 
   H  98   17.0649     2.2781     1.6140     1.0967    17.3694    18.1048 
   H  99   14.0089     1.6385     2.4834     2.4478    14.3066    15.0050 
   H 100   13.2118     2.1112     2.9880     3.1211    13.5095    14.2084 
   H 101    2.4478    12.7689    13.4044    14.0089     2.7347     3.5298 
   H 102    3.1211    11.9719    12.6084    13.2118     3.4208     4.2170 
   H 103    2.5820    16.9488    17.5864    18.1886     2.3753     2.1729 
   H 104   18.1886     3.7044     3.4378     2.5820    18.4870    19.1870 
   H 105    4.2142    15.5253    16.0453    16.7481     4.2622     4.6706 
   H 106   16.7481     4.5510     4.9410     4.2142    17.0296    17.6582 
   H 107    3.6167    11.2033    11.9115    12.4336     3.9153     4.6315 
   H 108    2.8196    11.9940    12.6970    13.2254     3.1185     3.8401 
   H 109   12.4336     2.3768     3.0653     3.6167    12.7382    13.4756 
   H 110   13.2254     1.5797     2.2922     2.8196    13.5297    14.2647 
   H 111    2.4280    17.0192    17.7392    18.2437     2.1356     1.3414 
   H 112   18.2437     3.5449     2.7671     2.4280    18.5495    19.2950 
   H 113    2.5782    16.7925    17.4222    18.0324     2.3981     2.2860 
   H 114   18.0324     3.6494     3.4480     2.5782    18.3298    19.0252 
   H 115    5.5687    19.2945    19.8656    20.5294     5.3805     5.1467 
   H 116    5.9464    19.1703    19.7113    20.3991     5.7935     5.6646 
   H 117    5.2004    18.3001    18.8455    19.5298     5.0713     5.0233 
   H 118   20.5294     6.6089     6.4367     5.5687    20.8191    21.4790 
   H 119   20.3991     6.8901     6.8231     5.9464    20.6842    21.3252 
   H 120   19.5298     6.0873     6.0754     5.2004    19.8156    20.4595 
   H 121   18.8914     6.7893     7.0243     6.2019    19.1645    19.7605 
   H 122   18.1189     6.5682     6.9076     6.1329    18.3889    18.9737 
   H 123   17.7119     5.7098     6.0334     5.2561    17.9880    18.5952 
   H 124    6.2019    17.6845    18.1553    18.8914     6.1632     6.3434 
   H 125    6.1329    16.9191    17.3724    18.1189     6.1378     6.4246 
   H 126    5.2561    16.4993    16.9866    17.7119     5.2620     5.5610 
   H 127   10.5448     4.4303     5.2351     5.6148    10.8426    11.5434 
   H 128    9.7477     5.1888     5.9741     6.3873    10.0456    10.7471 
   H 129    5.6148     9.3049     9.9458    10.5448     5.9222     6.6960 
   H 130    6.3873     8.5077     9.1505     9.7477     6.6947     7.4621 
   H 131    7.0807     7.7828     8.5232     9.0033     7.3787     8.0839 
   H 132    6.2836     8.5667     9.2979     9.7905     6.5818     7.2886 
   H 133    9.0033     5.8408     6.4928     7.0807     9.3095    10.0605 
   H 134    9.7905     5.0437     5.7003     6.2836    10.0963    10.8435 
   H 135   20.8440     6.2456     5.8080     5.0366    21.1424    21.8424 
   H 136   21.4655     6.9935     6.6057     5.8080    21.7617    22.4504 
   H 137   20.8657     6.6056     6.3164     5.4767    21.1592    21.8360 
   H 138    5.0366    19.6041    20.2413    20.8440     4.7702     4.2565 
   H 139    5.8080    20.2258    20.8440    21.4655     5.5540     5.0842 
   H 140    5.4768    19.6273    20.2258    20.8658     5.2513     4.8916 
   H 141   19.1572     4.6165     3.7876     3.5670    19.4640    20.2196 
   H 142   19.5574     5.2519     4.3915     4.2932    19.8647    20.6296 
   H 143   20.3336     5.8557     5.0223     4.7998    20.6408    21.4010 
   H 144    3.5670    17.9415    18.6810    19.1572     3.2849     2.5013 
   H 145    4.2932    18.3529    19.1113    19.5574     4.0288     3.2724 
   H 146    4.7998    19.1231    19.8714    20.3335     4.5133     3.7227 
   H 147   20.9601     6.1716     5.4793     4.9539    21.2648    22.0012 
   H 148   21.8287     7.0452     6.3432     5.8298    22.1336    22.8715 
   H 149   21.9636     7.1693     6.5399     5.9320    22.2667    22.9925 
   H 150    4.9539    19.7299    20.4317    20.9601     4.6468     3.8966 
   H 151    5.8298    20.5994    21.3037    21.8287     5.5226     4.7686 
   H 152    5.9320    20.7287    21.4108    21.9636     5.6301     4.9295 
   H 153    7.7200     7.1753     7.8103     8.4151     8.0272     8.7896 
   H 154    8.4151     6.5129     7.2813     7.7200     8.7117     9.4087 

              H  97      H  98      H  99      H 100      H 101      H 102
              ------------------------------------------------------------------
   H  97    0.0000 
   H  98    0.7971     0.0000 
   H  99    2.7347     3.5298     0.0000 
   H 100    3.4208     4.2170     0.7971     0.0000 
   H 101   14.3067    15.0050    12.1422    11.3513     0.0000 
   H 102   13.5096    14.2084    11.3513    10.5612     0.7971     0.0000 
   H 103   18.4870    19.1870    16.2849    15.4904     4.1821     4.9786 
   H 104    2.3752     2.1729     4.1821     4.9786    16.2849    15.4904 
   H 105   17.0297    17.6582    15.1588    14.3938     3.6964     4.2805 
   H 106    4.2621     4.6706     3.6964     4.2805    15.1588    14.3938 
   H 107   12.7383    13.4756    10.3923     9.5952     2.2063     1.6888 
   H 108   13.5298    14.2647    11.1894    10.3923     1.6888     1.4515 
   H 109    3.9154     4.6315     2.2063     1.6888    10.3923     9.5952 
   H 110    3.1186     3.8401     1.6888     1.4515    11.1894    10.3923 
   H 111   18.5496    19.2950    16.1309    15.3365     4.8701     5.5468 
   H 112    2.1355     1.3414     4.8701     5.5468    16.1309    15.3365 
   H 113   18.3299    19.0252    16.1498    15.3564     4.0240     4.8210 
   H 114    2.3980     2.2860     4.0240     4.8210    16.1498    15.3564 
   H 115   20.8192    21.4790    18.7842    17.9998     6.6943     7.4645 
   H 116   20.6843    21.3252    18.7320    17.9553     6.7668     7.5058 
   H 117   19.8157    20.4595    17.8558    17.0788     5.9010     6.6346 
   H 118    5.3804     5.1467     6.6943     7.4645    18.7842    17.9998 
   H 119    5.7934     5.6646     6.7668     7.5058    18.7320    17.9553 
   H 120    5.0713     5.0233     5.9010     6.6346    17.8558    17.0788 
   H 121    6.1631     6.3434     6.1040     6.7027    17.4150    16.6633 
   H 122    6.1378     6.4246     5.6952     6.2251    16.6933    15.9500 
   H 123    5.2619     5.5610     4.9069     5.4806    16.2005    15.4450 
   H 124   19.1646    19.7605    17.4150    16.6633     6.1040     6.7027 
   H 125   18.3890    18.9737    16.6933    15.9500     5.6952     6.2251 
   H 126   17.9881    18.5952    16.2005    15.4450     4.9069     5.4806 
   H 127    5.9223     6.6960     3.4641     2.6670     8.7128     7.9279 
   H 128    6.6948     7.4621     4.2612     3.4641     7.9279     7.1457 
   H 129   10.8427    11.5434     8.7128     7.9279     3.4641     2.6670 
   H 130   10.0456    10.7471     7.9279     7.1457     4.2612     3.4641 
   H 131    9.3096    10.0605     6.9282     6.1311     5.3282     4.5664 
   H 132   10.0964    10.8435     7.7253     6.9282     4.5664     3.8189 
   H 133    7.3788     8.0839     5.3282     4.5664     6.9282     6.1311 
   H 134    6.5818     7.2886     4.5664     3.8189     7.7253     6.9282 
   H 135    4.7701     4.2565     6.8374     7.6341    18.9283    18.1330 
   H 136    5.5539     5.0842     7.4638     8.2599    19.5956    18.8022 
   H 137    5.2511     4.8915     6.9079     7.6973    19.0485    18.2584 
   H 138   21.1425    21.8424    18.9283    18.1330     6.8374     7.6341 
   H 139   21.7618    22.4504    19.5956    18.8022     7.4638     8.2599 
   H 140   21.1594    21.8361    19.0486    18.2585     6.9080     7.6974 
   H 141    3.2849     2.5013     6.0148     6.6678    16.9922    16.2021 
   H 142    4.0288     3.2724     6.7283     7.3426    17.3449    16.5606 
   H 143    4.5133     3.7228     7.2469     7.9063    18.1431    17.3560 
   H 144   19.4641    20.2196    16.9922    16.2021     6.0148     6.6678 
   H 145   19.8648    20.6296    17.3449    16.5606     6.7283     7.3426 
   H 146   20.6408    21.4009    18.1430    17.3559     7.2468     7.9063 
   H 147    4.6467     3.8966     7.2477     7.9999    18.8821    18.0864 
   H 148    5.5225     4.7686     8.1211     8.8754    19.7413    18.9460 
   H 149    5.6300     4.9295     8.0958     8.8727    19.9308    19.1340 
   H 150   21.2649    22.0012    18.8821    18.0864     7.2477     7.9999 
   H 151   22.1337    22.8715    19.7413    18.9460     8.1211     8.8754 
   H 152   22.2668    22.9925    19.9308    19.1340     8.0958     8.8727 
   H 153    8.7118     9.4087     6.6547     5.8839     5.5965     4.7998 
   H 154    8.0272     8.7896     5.5965     4.7998     6.6547     5.8839 

              H 103      H 104      H 105      H 106      H 107      H 108
              ------------------------------------------------------------------
   H 103    0.0000 
   H 104   20.4436     0.0000 
   H 105    3.3092    19.1769     0.0000 
   H 106   19.1769     3.3092    18.4247     0.0000 
   H 107    5.9814    14.5720     5.8956    13.1957     0.0000 
   H 108    5.2057    15.3691     5.3589    13.9769     0.7971     0.0000 
   H 109   14.5720     5.9814    13.1957     5.8956     8.8488     9.6360 
   H 110   15.3691     5.2057    13.9769     5.3589     9.6360    10.4248 
   H 111    2.5832    20.3102     5.6470    18.6561     5.8320     5.0578 
   H 112   20.3102     2.5832    18.6561     5.6470    14.6746    15.4584 
   H 113    0.2754    20.3024     3.0347    19.0740     5.8842     5.1179 
   H 114   20.3024     0.2754    19.0740     3.0347    14.4160    15.2131 
   H 115    3.0114    22.8877     4.0151    21.8531     8.7401     8.0065 
   H 116    3.4919    22.7977     3.6941    21.8872     8.8927     8.1945 
   H 117    2.8699    21.9242     2.8577    21.0120     8.0401     7.3529 
   H 118   22.8877     3.0114    21.8531     4.0151    16.9323    17.7250 
   H 119   22.7977     3.4919    21.8872     3.6941    16.8235    17.6110 
   H 120   21.9242     2.8699    21.0120     2.8577    15.9513    16.7394 
   H 121   21.3662     4.3908    20.7531     2.4222    15.3929    16.1609 
   H 122   20.6092     4.6493    20.0749     2.0288    14.6457    15.4071 
   H 123   20.1727     3.8531    19.5214     1.2105    14.1947    14.9671 
   H 124    4.3908    21.3662     2.4222    20.7531     8.3086     7.7451 
   H 125    4.6493    20.6092     2.0288    20.0749     7.8765     7.3718 
   H 126    3.8531    20.1727     1.2105    19.5214     7.1048     6.5680 
   H 127   12.8345     7.6447    11.8650     6.5690     6.9282     7.7253 
   H 128   12.0416     8.4416    11.1217     7.3030     6.1311     6.9282 
   H 129    7.6447    12.8345     6.5690    11.8650     2.3121     2.9753 
   H 130    8.4416    12.0416     7.3030    11.1217     2.9753     3.6919 
   H 131    9.3942    11.1082     8.7045     9.8306     3.4641     4.2612 
   H 132    8.6053    11.9052     8.0128    10.5992     2.6670     3.4641 
   H 133   11.1082     9.3942     9.8306     8.7045     5.4611     6.2332 
   H 134   11.9052     8.6053    10.5992     8.0128     6.2332     7.0109 
   H 135   23.0918     2.6555    21.7692     5.2107    17.2274    18.0244 
   H 136   23.7469     3.3217    22.4962     5.4435    17.8501    18.6470 
   H 137   23.1816     2.9037    22.0263     4.6286    17.2554    18.0512 
   H 138    2.6555    23.0918     5.2107    21.7692     8.5839     7.7957 
   H 139    3.3217    23.7469     5.4435    22.4962     9.3006     8.5208 
   H 140    2.9038    23.1817     4.6287    22.0264     8.8459     8.0833 
   H 141   21.1610     3.5183    19.3831     6.7250    15.6164    16.3927 
   H 142   21.4959     4.3925    19.6058     7.5992    16.0525    16.8194 
   H 143   22.3025     4.4201    20.4503     7.7131    16.8087    17.5811 
   H 144    3.5183    21.1610     6.7250    19.3831     6.8173     6.0674 
   H 145    4.3925    21.4959     7.5992    19.6058     7.3395     6.6214 
   H 146    4.4201    22.3025     7.7131    20.4502     8.0367     7.2948 
   H 147   23.0637     3.5189    21.4384     6.7435    17.3722    18.1612 
   H 148   23.9222     4.3189    22.2675     7.4732    18.2433    19.0318 
   H 149   24.1124     4.0776    22.5628     7.0511    18.3610    19.1540 
   H 150    3.5189    23.0637     6.7435    21.4384     8.5267     7.7365 
   H 151    4.3189    23.9222     7.4732    22.2675     9.3961     8.6073 
   H 152    4.0776    24.1124     7.0511    22.5628     9.5440     8.7478 
   H 153    9.7784    10.7351     8.5115     9.9588     4.2428     4.9904 
   H 154   10.7351     9.7784     9.9588     8.5115     4.7998     5.5966 

              H 109      H 110      H 111      H 112      H 113      H 114
              ------------------------------------------------------------------
   H 109    0.0000 
   H 110    0.7971     0.0000 
   H 111   14.6746    15.4584     0.0000 
   H 112    5.8320     5.0578    20.5040     0.0000 
   H 113   14.4160    15.2131     2.8059    20.1402     0.0000 
   H 114    5.8842     5.1179    20.1402     2.8059    20.1640     0.0000 
   H 115   16.9323    17.7250     5.1661    22.5269     2.9905    22.7661 
   H 116   16.8235    17.6110     5.8409    22.3394     3.4078    22.6857 
   H 117   15.9513    16.7394     5.3612    21.4802     2.7376    21.8113 
   H 118    8.7401     8.0065    22.5269     5.1661    22.7661     2.9905 
   H 119    8.8927     8.1945    22.3394     5.8409    22.6857     3.4078 
   H 120    8.0401     7.3529    21.4802     5.3612    21.8113     2.7376 
   H 121    8.3086     7.7451    20.6977     6.9739    21.2764     4.1752 
   H 122    7.8765     7.3718    19.8929     7.2015    20.5250     4.4050 
   H 123    7.1048     6.5680    19.5543     6.3759    20.0788     3.5987 
   H 124   15.3929    16.1609     6.9739    20.6977     4.1752    21.2764 
   H 125   14.6457    15.4071     7.2015    19.8929     4.4050    20.5250 
   H 126   14.1947    14.9671     6.3759    19.5543     3.5987    20.0788 
   H 127    2.3121     2.9753    12.6810     7.9745    12.7051     7.4879 
   H 128    2.9753     3.6919    11.8883     8.7273    11.9140     8.2850 
   H 129    6.9282     7.7253     7.9745    12.6810     7.4879    12.7051 
   H 130    6.1311     6.9282     8.7273    11.8883     8.2850    11.9140 
   H 131    5.4611     6.2332     9.2417    11.2902     9.2748    10.9519 
   H 132    6.2332     7.0109     8.4532    12.0650     8.4893    11.7490 
   H 133    3.4641     4.2612    11.2902     9.2417    10.9519     9.2748 
   H 134    2.6670     3.4641    12.0650     8.4532    11.7490     8.4893 
   H 135    8.5839     7.7957    22.9630     3.7712    22.9484     2.8250 
   H 136    9.3006     8.5208    23.5497     4.6469    23.6093     3.4457 
   H 137    8.8458     8.0832    22.9141     4.6900    23.0509     2.9659 
   H 138   17.2274    18.0244     3.7712    22.9630     2.8250    22.9484 
   H 139   17.8501    18.6470     4.6469    23.5497     3.4457    23.6093 
   H 140   17.2555    18.0513     4.6901    22.9142     2.9660    23.0510 
   H 141    6.8173     6.0674    21.4481     1.1752    20.9826     3.7712 
   H 142    7.3395     6.6214    21.8770     2.0000    21.3096     4.6469 
   H 143    8.0368     7.2948    22.6385     2.3825    22.1194     4.6900 
   H 144   15.6164    16.3927     1.1752    21.4481     3.7712    20.9826 
   H 145   16.0525    16.8194     2.0000    21.8770     4.6469    21.3096 
   H 146   16.8086    17.5810     2.3825    22.6384     4.6900    22.1193 
   H 147    8.5267     7.7365    23.1907     2.7823    22.8976     3.7869 
   H 148    9.3961     8.6073    24.0636     3.6200    23.7544     4.5801 
   H 149    9.5440     8.7478    24.1610     3.9391    23.9525     4.3170 
   H 150   17.3722    18.1612     2.7823    23.1907     3.7869    22.8976 
   H 151   18.2433    19.0318     3.6200    24.0636     4.5801    23.7544 
   H 152   18.3610    19.1540     3.9391    24.1610     4.3170    23.9525 
   H 153    4.7998     5.5966    10.0427    10.5470     9.6186    10.6144 
   H 154    4.2428     4.9904    10.5470    10.0427    10.6144     9.6186 

              H 115      H 116      H 117      H 118      H 119      H 120
              ------------------------------------------------------------------
   H 115    0.0000 
   H 116    0.8768     0.0000 
   H 117    1.2399     0.8768     0.0000 
   H 118   25.4536    25.4192    24.5426     0.0000 
   H 119   25.4192    25.4150    24.5383     0.8768     0.0000 
   H 120   24.5426    24.5383    23.6616     1.2399     0.8768     0.0000 
   H 121   24.1017    24.1685    23.2958     3.1423     2.3809     2.0167 
   H 122   23.3703    23.4553    22.5846     3.8935     3.1930     2.6937 
   H 123   22.8908    22.9485    22.0750     3.5736     3.0240     2.3338 
   H 124    3.1423     2.3809     2.0167    24.1017    24.1685    23.2958 
   H 125    3.8935     3.1930     2.6937    23.3703    23.4553    22.5846 
   H 126    3.5736     3.0240     2.3338    22.8908    22.9485    22.0750 
   H 127   15.3849    15.3716    14.4949    10.0719    10.0434     9.1667 
   H 128   14.6070    14.6052    13.7288    10.8569    10.8139     9.9372 
   H 129   10.0719    10.0434     9.1667    15.3849    15.3716    14.4949 
   H 130   10.8569    10.8139     9.9372    14.6070    14.6052    13.7288 
   H 131   12.0225    12.0699    11.1970    13.4935    13.4146    12.5394 
   H 132   11.2576    11.3239    10.4534    14.2837    14.1966    13.3221 
   H 133   13.4935    13.4146    12.5394    12.0225    12.0699    11.1970 
   H 134   14.2837    14.1966    13.3221    11.2576    11.3239    10.4534 
   H 135   25.5128    25.4067    24.5348     2.0872     2.9625     3.0483 
   H 136   26.2079    26.1194    25.2459     1.7518     2.5913     2.9256 
   H 137   25.6901    25.6258    24.7505     0.8999     1.7685     2.0489 
   H 138    2.0872     2.9625     3.0483    25.5128    25.4067    24.5348 
   H 139    1.7518     2.5913     2.9256    26.2079    26.1194    25.2459 
   H 140    0.8999     1.7684     2.0489    25.6902    25.6259    24.7505 
   H 141   23.2965    23.0753    22.2240     5.6932     6.4565     6.1015 
   H 142   23.5516    23.2998    22.4568     6.4550     7.2442     6.9300 
   H 143   24.3873    24.1444    23.2990     6.0970     6.9267     6.7130 
   H 144    5.6932     6.4565     6.1015    23.2965    23.0753    22.2240 
   H 145    6.4550     7.2442     6.9300    23.5516    23.2998    22.4568 
   H 146    6.0971     6.9268     6.7130    24.3872    24.1443    23.2989 
   H 147   25.3050    25.1212    24.2615     4.3527     5.2182     5.1632 
   H 148   26.1460    25.9535    25.0957     4.7207     5.5974     5.6653 
   H 149   26.4034    26.2382    25.3750     3.9832     4.8557     5.0106 
   H 150    4.3527     5.2182     5.1632    25.3050    25.1212    24.2615 
   H 151    4.7207     5.5974     5.6653    26.1460    25.9535    25.0957 
   H 152    3.9832     4.8557     5.0106    26.4034    26.2382    25.3750 
   H 153   12.1526    12.0795    11.2038    13.3471    13.3767    12.5020 
   H 154   13.3471    13.3767    12.5020    12.1526    12.0795    11.2038 

              H 121      H 122      H 123      H 124      H 125      H 126
              ------------------------------------------------------------------
   H 121    0.0000 
   H 122    0.8768     0.0000 
   H 123    1.2400     0.8767     0.0000 
   H 124   23.1008    22.4375    21.8656     0.0000 
   H 125   22.4375    21.7892    21.1998     0.8768     0.0000 
   H 126   21.8656    21.1998    20.6309     1.2400     0.8767     0.0000 
   H 127    8.9342     8.3140     7.6951    14.1845    13.5077    12.9536 
   H 128    9.6442     8.9978     8.4081    13.4576    12.7951    12.2234 
   H 129   14.1845    13.5077    12.9536     8.9342     8.3140     7.6951 
   H 130   13.4576    12.7951    12.2234     9.6442     8.9978     8.4081 
   H 131   12.0988    11.3934    10.8790    11.0958    10.4999     9.8558 
   H 132   12.8488    12.1314    11.6342    10.4186     9.8503     9.1802 
   H 133   11.0958    10.4999     9.8558    12.0988    11.3934    10.8790 
   H 134   10.4186     9.8503     9.1802    12.8488    12.1314    11.6342 
   H 135    5.0650     5.7026     5.1799    23.9267    23.1556    22.7442 
   H 136    4.8899     5.6171     5.2145    24.6757    23.9126    23.4862 
   H 137    4.0200     4.7405     4.3457    24.2386    23.4896    23.0386 
   H 138   23.9267    23.1556    22.7442     5.0650     5.7026     5.1799 
   H 139   24.6757    23.9126    23.4862     4.8899     5.6171     5.2145 
   H 140   24.2387    23.4897    23.0387     4.0201     4.7405     4.3458 
   H 141    7.8578     8.1657     7.3697    21.3606    20.5403    20.2411 
   H 142    8.7168     9.0376     8.2449    21.5230    20.6907    20.4264 
   H 143    8.5930     8.9929     8.2423    22.3820    21.5519    21.2803 
   H 144   21.3606    20.5403    20.2411     7.8578     8.1657     7.3697 
   H 145   21.5230    20.6907    20.4264     8.7168     9.0376     8.2449 
   H 146   22.3819    21.5518    21.2802     8.5931     8.9929     8.2424 
   H 147    7.1461     7.6743     7.0221    23.4756    22.6680    22.3350 
   H 148    7.6769     8.2643     7.6621    24.2867    23.4743    23.1530 
   H 149    7.0268     7.6646     7.1199    24.6275    23.8265    23.4774 
   H 150   23.4756    22.6680    22.3350     7.1461     7.6743     7.0221 
   H 151   24.2867    23.4743    23.1530     7.6769     8.2643     7.6621 
   H 152   24.6275    23.8265    23.4774     7.0268     7.6646     7.1199 
   H 153   12.3288    11.7019    11.0897    10.8034    10.1163     9.5772 
   H 154   10.8034    10.1163     9.5772    12.3288    11.7019    11.0897 

              H 127      H 128      H 129      H 130      H 131      H 132
              ------------------------------------------------------------------
   H 127    0.0000 
   H 128    0.7971     0.0000 
   H 129    5.3282     4.5664     0.0000 
   H 130    4.5664     3.8189     0.7971     0.0000 
   H 131    3.4641     2.6670     2.2063     1.6888     0.0000 
   H 132    4.2612     3.4641     1.6888     1.4515     0.7971     0.0000 
   H 133    2.2063     1.6888     3.4641     2.6670     2.3122     2.9753 
   H 134    1.6888     1.4515     4.2612     3.4641     2.9753     3.6918 
   H 135   10.3002    11.0971    15.4731    14.6786    13.7637    14.5606 
   H 136   10.9246    11.7213    16.1501    15.3584    14.3871    15.1839 
   H 137   10.3471    11.1407    15.6199    14.8332    13.7988    14.5938 
   H 138   15.4731    14.6786    10.3002    11.0971    12.0229    11.2302 
   H 139   16.1501    15.3584    10.9246    11.7213    12.7147    11.9266 
   H 140   15.6200    14.8333    10.3472    11.1408    12.2113    11.4317 
   H 141    9.0227     9.7578    13.5641    12.7779    12.2736    13.0371 
   H 142    9.5955    10.3073    13.9470    13.1700    12.7624    13.5117 
   H 143   10.2561    10.9866    14.7302    13.9484    13.4856    14.2443 
   H 144   13.5641    12.7779     9.0227     9.7578    10.1602     9.3832 
   H 145   13.9470    13.1700     9.5955    10.3073    10.5921     9.8309 
   H 146   14.7301    13.9483    10.2561    10.9865    11.3482    10.5776 
   H 147   10.5649    11.3406    15.4248    14.6297    13.9537    14.7384 
   H 148   11.4415    12.2169    16.2863    15.4918    14.8278    15.6118 
   H 149   11.4922    12.2791    16.4678    15.6710    14.9197    15.7107 
   H 150   15.4248    14.6297    10.5649    11.3406    11.9714    11.1777 
   H 151   16.2863    15.4918    11.4415    12.2169    12.8361    12.0433 
   H 152   16.4678    15.6710    11.4922    12.2791    13.0053    12.2087 
   H 153    3.3946     2.7169     2.1355     1.3413     1.6620     2.0354 
   H 154    2.1355     1.3413     3.3946     2.7169     1.3414     2.1356 

              H 133      H 134      H 135      H 136      H 137      H 138
              ------------------------------------------------------------------
   H 133    0.0000 
   H 134    0.7971     0.0000 
   H 135   12.0229    11.2302     0.0000 
   H 136   12.7147    11.9266     0.8768     0.0000 
   H 137   12.2112    11.4316     1.2399     0.8768     0.0000 
   H 138   13.7637    14.5606    25.7416    26.3917    25.8191     0.0000 
   H 139   14.3871    15.1839    26.3917    27.0547    26.4964     0.8768 
   H 140   13.7989    14.5939    25.8192    26.4964    25.9557     1.2399 
   H 141   10.1602     9.3832     3.9637     4.8189     5.0675    23.8076 
   H 142   10.5921     9.8309     4.6167     5.4400     5.7778    24.1330 
   H 143   11.3483    10.5777     4.1339     4.9027     5.3474    24.9439 
   H 144   12.2736    13.0371    23.8076    24.3712    23.7142     3.9637 
   H 145   12.7624    13.5117    24.1330    24.6735    23.9971     4.6167 
   H 146   13.4855    14.2442    24.9438    25.4933    24.8238     4.1339 
   H 147   11.9714    11.1777     2.2884     2.9814     3.5282    25.7182 
   H 148   12.8361    12.0433     2.6423     3.1408     3.8413    26.5761 
   H 149   13.0053    12.2087     1.9641     2.3258     3.0874    26.7679 
   H 150   13.9537    14.7384    25.7182    26.3142    25.6855     2.2884 
   H 151   14.8278    15.6118    26.5761    27.1674    26.5339     2.6423 
   H 152   14.9197    15.7107    26.7679    27.3794    26.7653     1.9641 
   H 153    1.3414     2.1356    13.3643    14.0553    13.5472    12.4338 
   H 154    1.6620     2.0354    12.4338    13.0505    12.4583    13.3643 

              H 139      H 140      H 141      H 142      H 143      H 144
              ------------------------------------------------------------------
   H 139    0.0000 
   H 140    0.8768     0.0000 
   H 141   24.3712    23.7143     0.0000 
   H 142   24.6735    23.9972     0.8768     0.0000 
   H 143   25.4934    24.8239     1.2400     0.8769     0.0000 
   H 144    4.8189     5.0676    22.4142    22.8654    23.6142     0.0000 
   H 145    5.4400     5.7779    22.8654    23.3409    24.0749     0.8768 
   H 146    4.9028     5.3476    23.6141    24.0748    24.8181     1.2399 
   H 147   26.3142    25.6856     2.2884     2.6422     1.9640    24.1103 
   H 148   27.1674    26.5340     2.9814     3.1408     2.3257    24.9853 
   H 149   27.3794    26.7653     3.5283     3.8414     3.0873    25.0562 
   H 150    2.9814     3.5283    24.1103    24.5105    25.2875     2.2884 
   H 151    3.1408     3.8414    24.9853    25.3868    26.1633     2.9814 
   H 152    2.3258     3.0874    25.0562    25.4304    26.2203     3.5283 
   H 153   13.0505    12.4584    11.4396    11.8401    12.6136    11.0554 
   H 154   14.0553    13.5473    11.0554    11.5801    12.2783    11.4396 

              H 145      H 146      H 147      H 148      H 149      H 150
              ------------------------------------------------------------------
   H 145    0.0000 
   H 146    0.8768     0.0000 
   H 147   24.5105    25.2875     0.0000 
   H 148   25.3868    26.1632     0.8768     0.0000 
   H 149   25.4304    26.2202     1.2400     0.8768     0.0000 
   H 150    2.6422     1.9641    25.8977    26.7681    26.8863     0.0000 
   H 151    3.1408     2.3258    26.7681    27.6389    27.7534     0.8768 
   H 152    3.8414     3.0874    26.8863    27.7534    27.8949     1.2400 
   H 153   11.5801    12.2782    13.2893    14.1509    14.3343    12.6739 
   H 154   11.8401    12.6135    12.6739    13.5497    13.6191    13.2893 

              H 151      H 152      H 153      H 154
              --------------------------------------------
   H 151    0.0000 
   H 152    0.8768     0.0000 
   H 153   13.5497    13.6191     0.0000 
   H 154   14.1509    14.3343     1.9436     0.0000 



ATOMIC CHARGES
   O   1   -0.4644257779
   O   2   -0.4644257779
   O   3   -0.4914405298
   O   4   -0.4914405298
   O   5   -0.4914432170
   O   6   -0.4914432170
   O   7   -0.4913146179
   O   8   -0.4913146179
   O   9   -0.4913146179
   O  10   -0.4913146179
   O  11   -0.4884995448
   O  12   -0.4884995448
   O  13   -0.2508424347
   O  14   -0.2508424347
   N  15    0.2470952167
   N  16    0.2470952167
   C  17    0.0109749980
   C  18    0.0109749980
   C  19   -0.0256613399
   C  20   -0.0256613399
   C  21   -0.0265877977
   C  22   -0.0265877977
   C  23    0.0075813045
   C  24    0.0075813045
   C  25    0.0133419801
   C  26    0.0133419801
   C  27   -0.0406651527
   C  28   -0.0406651527
   C  29    0.0201926481
   C  30    0.0201926481
   C  31   -0.0301669965
   C  32   -0.0301669965
   C  33    0.0218635751
   C  34    0.0218635751
   C  35   -0.0075372367
   C  36   -0.0075372367
   C  37   -0.0345550390
   C  38   -0.0345550390
   C  39   -0.0124883308
   C  40   -0.0124883308
   C  41    0.0972724101
   C  42    0.0972724101
   C  43    0.1619504343
   C  44    0.1619504343
   C  45    0.1617652139
   C  46    0.1617652139
   C  47   -0.0126750973
   C  48   -0.0126750973
   C  49   -0.0126750973
   C  50   -0.0126750973
   C  51    0.1654317214
   C  52    0.1654317214
   C  53    0.1654317214
   C  54    0.1654317214
   C  55    0.2035153757
   C  56    0.2035153757
   C  57    0.3073725268
   C  58    0.3073725268
   C  59    0.0789623259
   C  60    0.0789623259
   C  61    0.0789623093
   C  62    0.0789623093
   C  63    0.0483464764
   C  64    0.0483464764
   C  65   -0.0246901196
   C  66   -0.0246901196
   C  67    0.0789647375
   C  68    0.0789647375
   C  69    0.0789647375
   C  70    0.0789647375
   C  71    0.0791087624
   C  72    0.0791087624
   C  73   -0.0874060394
   C  74   -0.0874060394
   H  75    0.0907987412
   H  76    0.0907987412
   H  77    0.0818317906
   H  78    0.0818317906
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   H  80    0.0818317906
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   H  84    0.0816178830
   H  85    0.0365240707
   H  86    0.0365240707
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   H  88    0.0365240707
   H  89    0.0778356607
   H  90    0.0778356607
   H  91    0.0778356607
   H  92    0.0778356607
   H  93    0.0778356607
   H  94    0.0778356607
   H  95    0.0371805485
   H  96    0.0371805485
   H  97    0.0371805485
   H  98    0.0371805485
   H  99    0.0349968600
   H 100    0.0349968600
   H 101    0.0349968600
   H 102    0.0349968600
   H 103    0.0659990427
   H 104    0.0659990427
   H 105    0.0658085424
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   H 107    0.0699175448
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   H 112    0.0658008848
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   H 114    0.0658008848
   H 115    0.0659954487
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   H 120    0.0659954487
   H 121    0.0659954487
   H 122    0.0659954487
   H 123    0.0659954487
   H 124    0.0659954487
   H 125    0.0659954487
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   H 127    0.0380485662
   H 128    0.0380485662
   H 129    0.0380485662
   H 130    0.0380485662
   H 131    0.0312476930
   H 132    0.0312476930
   H 133    0.0312476930
   H 134    0.0312476930
   H 135    0.0659954585
   H 136    0.0659954585
   H 137    0.0659954585
   H 138    0.0659954585
   H 139    0.0659954585
   H 140    0.0659954585
   H 141    0.0659954585
   H 142    0.0659954585
   H 143    0.0659954585
   H 144    0.0659954585
   H 145    0.0659954585
   H 146    0.0659954585
   H 147    0.0659973900
   H 148    0.0659973900
   H 149    0.0659973900
   H 150    0.0659973900
   H 151    0.0659973900
   H 152    0.0659973900
   H 153    0.0569079067
   H 154    0.0569079067


BOND ANGLES
  41    1   57   C3   O3   C2    119.998
  42    2   58   C3   O3   C2    119.998
  44    3   59  Car   O3   C3    120.003
  43    4   60  Car   O3   C3    120.003
  46    5   62  Car   O3   C3    120.004
  45    6   61  Car   O3   C3    120.004
  52    7   67  Car   O3   C3    120.001
  51    8   68  Car   O3   C3    119.999
  54    9   69  Car   O3   C3    119.998
  53   10   70  Car   O3   C3    120.001
  55   11   71  Car   O3   C3    120.001
  56   12   72  Car   O3   C3    120.001
  18   15   19   C3  N3+   C3    120.001
  18   15   22   C3  N3+   C3    149.999
  18   15   27   C3  N3+   C3     90.000
  19   15   22   C3  N3+   C3     90.000
  19   15   27   C3  N3+   C3    149.999
  22   15   27   C3  N3+   C3     59.999
  17   16   20   C3  N3+   C3    120.001
  17   16   21   C3  N3+   C3    149.999
  17   16   28   C3  N3+   C3     90.000
  20   16   21   C3  N3+   C3     90.000
  20   16   28   C3  N3+   C3    149.999
  21   16   28   C3  N3+   C3     59.999
  16   17   24  N3+   C3  Car    120.001
  16   17   29  N3+   C3   C3    120.001
  16   17   75  N3+   C3   HC     60.002
  24   17   29  Car   C3   C3    119.998
  24   17   75  Car   C3   HC    179.974
  29   17   75   C3   C3   HC     59.998
  15   18   23  N3+   C3  Car    119.999
  15   18   30  N3+   C3   C3    120.001
  15   18   76  N3+   C3   HC     60.002
  23   18   30  Car   C3   C3    120.001
  23   18   76  Car   C3   HC    179.974
  30   18   76   C3   C3   HC     59.998
  15   19   25  N3+   C3   C3    120.001
  15   19   79  N3+   C3   HC    159.996
  15   19   80  N3+   C3   HC     79.997
  25   19   79   C3   C3   HC     80.004
  25   19   80   C3   C3   HC    160.002
  79   19   80   HC   C3   HC     79.999
  16   20   26  N3+   C3   C3    120.001
  16   20   77  N3+   C3   HC    159.996
  16   20   78  N3+   C3   HC     79.997
  26   20   77   C3   C3   HC     80.004
  26   20   78   C3   C3   HC    160.002
  77   20   78   HC   C3   HC     79.999
  16   21   34  N3+   C3   C3    120.001
  16   21   83  N3+   C3   HC    159.996
  16   21   84  N3+   C3   HC     79.997
  34   21   83   C3   C3   HC     80.004
  34   21   84   C3   C3   HC    160.002
  83   21   84   HC   C3   HC     79.999
  15   22   33  N3+   C3   C3    120.001
  15   22   81  N3+   C3   HC    159.996
  15   22   82  N3+   C3   HC     79.997
  33   22   81   C3   C3   HC     80.004
  33   22   82   C3   C3   HC    160.002
  81   22   82   HC   C3   HC     79.999
  18   23   32   C3  Car  Car    120.001
  18   23   36   C3  Car  Car    119.116
  32   23   36  Car  Car  Car    120.884
  17   24   31   C3  Car  Car    119.998
  17   24   35   C3  Car  Car    119.116
  31   24   35  Car  Car  Car    120.886
  19   25   32   C3   C3  Car    119.999
  19   25   87   C3   C3   HC    160.009
  19   25   88   C3   C3   HC     80.000
  32   25   87  Car   C3   HC     79.993
  32   25   88  Car   C3   HC    160.002
  87   25   88   HC   C3   HC     80.009
  20   26   31   C3   C3  Car    120.001
  20   26   85   C3   C3   HC    160.009
  20   26   86   C3   C3   HC     80.000
  31   26   85  Car   C3   HC     79.990
  31   26   86  Car   C3   HC    159.999
  85   26   86   HC   C3   HC     80.009
  15   27   89  N3+   C3   HC     89.999
  15   27   90  N3+   C3   HC    179.974
  15   27   91  N3+   C3   HC     90.001
  89   27   90   HC   C3   HC     90.005
  89   27   91   HC   C3   HC    179.974
  90   27   91   HC   C3   HC     89.995
  16   28   92  N3+   C3   HC     89.999
  16   28   93  N3+   C3   HC    179.974
  16   28   94  N3+   C3   HC     90.001
  92   28   93   HC   C3   HC     90.005
  92   28   94   HC   C3   HC    179.974
  93   28   94   HC   C3   HC     89.995
  17   29   38   C3   C3  Car    119.998
  17   29   97   C3   C3   HC     79.995
  17   29   98   C3   C3   HC    160.004
  38   29   97  Car   C3   HC    160.007
  38   29   98  Car   C3   HC     79.998
  97   29   98   HC   C3   HC     80.009
  18   30   37   C3   C3  Car    120.001
  18   30   95   C3   C3   HC     79.997
  18   30   96   C3   C3   HC    160.004
  37   30   95  Car   C3   HC    160.002
  37   30   96  Car   C3   HC     79.995
  95   30   96   HC   C3   HC     80.007
  24   31   26  Car  Car   C3    119.998
  24   31   39  Car  Car  Car    120.886
  26   31   39   C3  Car  Car    119.116
  23   32   25  Car  Car   C3    120.001
  23   32   40  Car  Car  Car    120.884
  25   32   40   C3  Car  Car    119.116
  22   33   42   C3   C3   C3    120.001
  22   33  101   C3   C3   HC     80.004
  22   33  102   C3   C3   HC    160.002
  42   33  101   C3   C3   HC    159.996
  42   33  102   C3   C3   HC     79.997
 101   33  102   HC   C3   HC     79.999
  21   34   41   C3   C3   C3    120.001
  21   34   99   C3   C3   HC     80.004
  21   34  100   C3   C3   HC    160.002
  41   34   99   C3   C3   HC    159.996
  41   34  100   C3   C3   HC     79.997
  99   34  100   HC   C3   HC     79.999
  24   35   44  Car  Car  Car    119.554
  24   35  104  Car  Car   HC    120.221
  44   35  104  Car  Car   HC    120.225
  23   36   43  Car  Car  Car    119.556
  23   36  103  Car  Car   HC    120.218
  43   36  103  Car  Car   HC    120.225
  30   37   48   C3  Car  Car    120.001
  30   37   50   C3  Car  Car    120.001
  48   37   50  Car  Car  Car    119.998
  29   38   47   C3  Car  Car    119.998
  29   38   49   C3  Car  Car    120.001
  47   38   49  Car  Car  Car    120.001
  31   39   45  Car  Car  Car    119.554
  31   39  106  Car  Car   HC    120.221
  45   39  106  Car  Car   HC    120.225
  32   40   46  Car  Car  Car    119.556
  32   40  105  Car  Car   HC    120.218
  46   40  105  Car  Car   HC    120.225
   1   41   34   O3   C3   C3    119.998
   1   41  109   O3   C3   HC     79.998
   1   41  110   O3   C3   HC    160.005
  34   41  109   C3   C3   HC    160.004
  34   41  110   C3   C3   HC     79.997
 109   41  110   HC   C3   HC     80.007
   2   42   33   O3   C3   C3    119.998
   2   42  107   O3   C3   HC     79.998
   2   42  108   O3   C3   HC    160.005
  33   42  107   C3   C3   HC    160.004
  33   42  108   C3   C3   HC     79.997
 107   42  108   HC   C3   HC     80.007
   4   43   36   O3  Car  Car    120.218
   4   43   46   O3  Car  Car    120.222
  36   43   46  Car  Car  Car    119.560
   3   44   35   O3  Car  Car    120.218
   3   44   45   O3  Car  Car    120.222
  35   44   45  Car  Car  Car    119.560
   6   45   39   O3  Car  Car    120.218
   6   45   44   O3  Car  Car    120.222
  39   45   44  Car  Car  Car    119.560
   5   46   40   O3  Car  Car    120.218
   5   46   43   O3  Car  Car    120.222
  40   46   43  Car  Car  Car    119.560
  38   47   53  Car  Car  Car    120.001
  38   47  112  Car  Car   HC    119.997
  53   47  112  Car  Car   HC    120.002
  37   48   54  Car  Car  Car    119.998
  37   48  111  Car  Car   HC    120.002
  54   48  111  Car  Car   HC    120.000
  38   49   51  Car  Car  Car    119.999
  38   49  114  Car  Car   HC    120.001
  51   49  114  Car  Car   HC    120.001
  37   50   52  Car  Car  Car    120.001
  37   50  113  Car  Car   HC    119.998
  52   50  113  Car  Car   HC    120.001
   8   51   49   O3  Car  Car    119.999
   8   51   56   O3  Car  Car    120.001
  49   51   56  Car  Car  Car    120.001
   7   52   50   O3  Car  Car    119.999
   7   52   55   O3  Car  Car    120.001
  50   52   55  Car  Car  Car    120.001
  10   53   47   O3  Car  Car    120.001
  10   53   56   O3  Car  Car    120.001
  47   53   56  Car  Car  Car    119.999
   9   54   48   O3  Car  Car    119.998
   9   54   55   O3  Car  Car    120.001
  48   54   55  Car  Car  Car    120.001
  11   55   52   O3  Car  Car    120.001
  11   55   54   O3  Car  Car    119.999
  52   55   54  Car  Car  Car    120.001
  12   56   51   O3  Car  Car    120.001
  12   56   53   O3  Car  Car    119.999
  51   56   53  Car  Car  Car    120.001
   1   57   14   O3   C2   O2    119.998
   1   57   63   O3   C2   C3    120.001
  14   57   63   O2   C2   C3    120.001
   2   58   13   O3   C2   O2    119.998
   2   58   64   O3   C2   C3    120.001
  13   58   64   O2   C2   C3    120.001
   3   59  118   O3   C3   HC     90.003
   3   59  119   O3   C3   HC    179.974
   3   59  120   O3   C3   HC     89.997
 118   59  119   HC   C3   HC     90.000
 118   59  120   HC   C3   HC    179.974
 119   59  120   HC   C3   HC     90.000
   4   60  115   O3   C3   HC     90.003
   4   60  116   O3   C3   HC    179.974
   4   60  117   O3   C3   HC     89.997
 115   60  116   HC   C3   HC     90.000
 115   60  117   HC   C3   HC    179.974
 116   60  117   HC   C3   HC     90.000
   6   61  121   O3   C3   HC     90.004
   6   61  122   O3   C3   HC    179.974
   6   61  123   O3   C3   HC     90.005
 121   61  122   HC   C3   HC     90.000
 121   61  123   HC   C3   HC    179.974
 122   61  123   HC   C3   HC     89.991
   5   62  124   O3   C3   HC     90.004
   5   62  125   O3   C3   HC    179.974
   5   62  126   O3   C3   HC     90.005
 124   62  125   HC   C3   HC     90.000
 124   62  126   HC   C3   HC    179.974
 125   62  126   HC   C3   HC     89.991
  57   63   66   C2   C3   C3    120.001
  57   63  127   C2   C3   HC     79.995
  57   63  128   C2   C3   HC    160.002
  66   63  127   C3   C3   HC    160.004
  66   63  128   C3   C3   HC     79.997
 127   63  128   HC   C3   HC     80.007
  58   64   65   C2   C3   C3    120.001
  58   64  129   C2   C3   HC     79.995
  58   64  130   C2   C3   HC    160.002
  65   64  129   C3   C3   HC    160.004
  65   64  130   C3   C3   HC     79.997
 129   64  130   HC   C3   HC     80.007
  64   65   73   C3   C3   C2    120.001
  64   65  131   C3   C3   HC    159.996
  64   65  132   C3   C3   HC     79.997
  73   65  131   C2   C3   HC     80.004
  73   65  132   C2   C3   HC    160.002
 131   65  132   HC   C3   HC     79.999
  63   66   74   C3   C3   C2    120.001
  63   66  133   C3   C3   HC    159.996
  63   66  134   C3   C3   HC     79.997
  74   66  133   C2   C3   HC     80.004
  74   66  134   C2   C3   HC    160.002
 133   66  134   HC   C3   HC     79.999
   7   67  138   O3   C3   HC     89.996
   7   67  139   O3   C3   HC    179.974
   7   67  140   O3   C3   HC     90.004
 138   67  139   HC   C3   HC     90.000
 138   67  140   HC   C3   HC    179.974
 139   67  140   HC   C3   HC     90.000
   8   68  135   O3   C3   HC     90.007
   8   68  136   O3   C3   HC    179.974
   8   68  137   O3   C3   HC     90.001
 135   68  136   HC   C3   HC     89.997
 135   68  137   HC   C3   HC    179.974
 136   68  137   HC   C3   HC     89.995
   9   69  144   O3   C3   HC     90.004
   9   69  145   O3   C3   HC    179.974
   9   69  146   O3   C3   HC     89.996
 144   69  145   HC   C3   HC     90.000
 144   69  146   HC   C3   HC    179.974
 145   69  146   HC   C3   HC     90.000
  10   70  141   O3   C3   HC     90.009
  10   70  142   O3   C3   HC    179.974
  10   70  143   O3   C3   HC     89.999
 141   70  142   HC   C3   HC     89.987
 141   70  143   HC   C3   HC    179.974
 142   70  143   HC   C3   HC     90.005
  11   71  150   O3   C3   HC     90.000
  11   71  151   O3   C3   HC    179.974
  11   71  152   O3   C3   HC     90.000
 150   71  151   HC   C3   HC     90.000
 150   71  152   HC   C3   HC    179.974
 151   71  152   HC   C3   HC     90.000
  12   72  147   O3   C3   HC     90.000
  12   72  148   O3   C3   HC    179.974
  12   72  149   O3   C3   HC     90.000
 147   72  148   HC   C3   HC     90.000
 147   72  149   HC   C3   HC    179.974
 148   72  149   HC   C3   HC     90.000
  65   73   74   C3   C2   C2    120.001
  65   73  153   C3   C2   HC    119.998
  74   73  153   C2   C2   HC    120.002
  66   74   73   C3   C2   C2    120.001
  66   74  154   C3   C2   HC    119.998
  73   74  154   C2   C2   HC    120.002


TORSION ANGLES
  57    1   41   34    179.974
  57    1   41  109      0.026
  57    1   41  110      0.026
  41    1   57   14      0.026
  41    1   57   63    179.974
  58    2   42   33    179.974
  58    2   42  107      0.026
  58    2   42  108      0.026
  42    2   58   13      0.026
  42    2   58   64    179.974
  59    3   44   35    179.974
  59    3   44   45      0.026
  44    3   59  118    179.974
  44    3   59  119      0.026
  44    3   59  120      0.026
  60    4   43   36    179.974
  60    4   43   46      0.026
  43    4   60  115    179.974
  43    4   60  116      0.026
  43    4   60  117      0.026
  62    5   46   40      0.026
  62    5   46   43    179.974
  46    5   62  124    179.974
  46    5   62  125      0.026
  46    5   62  126      0.026
  61    6   45   39      0.026
  61    6   45   44    179.974
  45    6   61  121    179.974
  45    6   61  122      0.026
  45    6   61  123      0.026
  67    7   52   50    179.974
  67    7   52   55      0.026
  52    7   67  138      0.026
  52    7   67  139      0.026
  52    7   67  140    179.974
  68    8   51   49    179.974
  68    8   51   56      0.026
  51    8   68  135      0.026
  51    8   68  136    179.974
  51    8   68  137    179.974
  69    9   54   48      0.026
  69    9   54   55    179.974
  54    9   69  144      0.026
  54    9   69  145    179.974
  54    9   69  146    179.974
  70   10   53   47      0.026
  70   10   53   56    179.974
  53   10   70  141      0.026
  53   10   70  142      0.026
  53   10   70  143    179.974
  71   11   55   52    179.974
  71   11   55   54      0.026
  55   11   71  150      0.026
  55   11   71  151    180.000
  55   11   71  152    179.974
  72   12   56   51    179.974
  72   12   56   53      0.026
  56   12   72  147      0.026
  56   12   72  148    180.000
  56   12   72  149    179.974
  19   15   18   23      0.026
  19   15   18   30    179.974
  19   15   18   76    179.974
  22   15   18   23    179.974
  22   15   18   30      0.026
  22   15   18   76      0.026
  27   15   18   23    179.974
  27   15   18   30      0.026
  27   15   18   76      0.026
  18   15   19   25      0.026
  18   15   19   79    179.974
  18   15   19   80    179.974
  22   15   19   25    179.974
  22   15   19   79      0.026
  22   15   19   80      0.026
  27   15   19   25    179.974
  27   15   19   79      0.026
  27   15   19   80      0.026
  18   15   22   33    179.974
  18   15   22   81      0.026
  18   15   22   82      0.026
  19   15   22   33      0.026
  19   15   22   81    179.974
  19   15   22   82    179.974
  27   15   22   33    179.974
  27   15   22   81      0.026
  27   15   22   82      0.026
  18   15   27   89    179.974
  18   15   27   90      0.026
  18   15   27   91      0.026
  19   15   27   89      0.026
  19   15   27   90    179.974
  19   15   27   91    179.974
  22   15   27   89      0.026
  22   15   27   90    179.974
  22   15   27   91    179.974
  20   16   17   24      0.026
  20   16   17   29    179.974
  20   16   17   75    179.974
  21   16   17   24    179.974
  21   16   17   29      0.026
  21   16   17   75      0.026
  28   16   17   24    179.974
  28   16   17   29      0.026
  28   16   17   75      0.026
  17   16   20   26      0.026
  17   16   20   77    179.974
  17   16   20   78    179.974
  21   16   20   26    179.974
  21   16   20   77      0.026
  21   16   20   78      0.026
  28   16   20   26    179.974
  28   16   20   77      0.026
  28   16   20   78      0.026
  17   16   21   34    179.974
  17   16   21   83      0.026
  17   16   21   84      0.026
  20   16   21   34      0.026
  20   16   21   83    179.974
  20   16   21   84    179.974
  28   16   21   34    179.974
  28   16   21   83      0.026
  28   16   21   84      0.026
  17   16   28   92    179.974
  17   16   28   93      0.026
  17   16   28   94      0.026
  20   16   28   92      0.026
  20   16   28   93    179.974
  20   16   28   94    179.974
  21   16   28   92      0.026
  21   16   28   93    179.974
  21   16   28   94    179.974
  16   17   24   31      0.026
  16   17   24   35    179.974
  29   17   24   31    179.974
  29   17   24   35      0.026
  75   17   24   31    179.974
  75   17   24   35      0.026
  16   17   29   38    179.974
  16   17   29   97      0.026
  16   17   29   98      0.026
  24   17   29   38      0.026
  24   17   29   97    179.974
  24   17   29   98    179.974
  75   17   29   38    179.974
  75   17   29   97      0.026
  75   17   29   98      0.026
  15   18   23   32      0.026
  15   18   23   36    179.974
  30   18   23   32    179.974
  30   18   23   36      0.026
  76   18   23   32    179.974
  76   18   23   36      0.026
  15   18   30   37    179.974
  15   18   30   95      0.026
  15   18   30   96      0.026
  23   18   30   37      0.026
  23   18   30   95    179.974
  23   18   30   96    179.974
  76   18   30   37    179.974
  76   18   30   95      0.026
  76   18   30   96      0.026
  15   19   25   32      0.026
  15   19   25   87    179.974
  15   19   25   88    179.974
  79   19   25   32    179.974
  79   19   25   87      0.026
  79   19   25   88      0.026
  80   19   25   32    179.974
  80   19   25   87      0.026
  80   19   25   88      0.026
  16   20   26   31      0.026
  16   20   26   85    179.974
  16   20   26   86    179.974
  77   20   26   31    179.974
  77   20   26   85      0.026
  77   20   26   86      0.026
  78   20   26   31    179.974
  78   20   26   85      0.026
  78   20   26   86      0.026
  16   21   34   41    179.974
  16   21   34   99      0.026
  16   21   34  100      0.026
  83   21   34   41      0.026
  83   21   34   99    179.974
  83   21   34  100    179.974
  84   21   34   41      0.026
  84   21   34   99    179.974
  84   21   34  100    179.974
  15   22   33   42    179.974
  15   22   33  101      0.026
  15   22   33  102      0.026
  81   22   33   42      0.026
  81   22   33  101    179.974
  81   22   33  102    179.974
  82   22   33   42      0.026
  82   22   33  101    179.974
  82   22   33  102    179.974
  18   23   32   25      0.026
  18   23   32   40    179.974
  36   23   32   25    179.974
  36   23   32   40      0.026
  18   23   36   43    179.974
  18   23   36  103      0.026
  32   23   36   43      0.026
  32   23   36  103    179.974
  17   24   31   26      0.026
  17   24   31   39    179.974
  35   24   31   26    179.974
  35   24   31   39      0.026
  17   24   35   44    179.974
  17   24   35  104      0.026
  31   24   35   44      0.026
  31   24   35  104    179.974
  19   25   32   23      0.026
  19   25   32   40    179.974
  87   25   32   23    179.974
  87   25   32   40      0.026
  88   25   32   23    179.974
  88   25   32   40      0.026
  20   26   31   24      0.026
  20   26   31   39    179.974
  85   26   31   24    179.974
  85   26   31   39      0.026
  86   26   31   24    179.974
  86   26   31   39      0.026
  17   29   38   47    179.974
  17   29   38   49      0.026
  97   29   38   47      0.026
  97   29   38   49    179.974
  98   29   38   47      0.026
  98   29   38   49    179.974
  18   30   37   48    179.974
  18   30   37   50      0.026
  95   30   37   48      0.026
  95   30   37   50    179.974
  96   30   37   48      0.026
  96   30   37   50    179.974
  24   31   39   45      0.026
  24   31   39  106    179.974
  26   31   39   45    179.974
  26   31   39  106      0.026
  23   32   40   46      0.026
  23   32   40  105    179.974
  25   32   40   46    179.974
  25   32   40  105      0.026
  22   33   42    2    179.974
  22   33   42  107      0.026
  22   33   42  108      0.026
 101   33   42    2      0.026
 101   33   42  107    179.974
 101   33   42  108    179.974
 102   33   42    2      0.026
 102   33   42  107    179.974
 102   33   42  108    179.974
  21   34   41    1    179.974
  21   34   41  109      0.026
  21   34   41  110      0.026
  99   34   41    1      0.026
  99   34   41  109    179.974
  99   34   41  110    179.974
 100   34   41    1      0.026
 100   34   41  109    179.974
 100   34   41  110    179.974
  24   35   44    3    179.974
  24   35   44   45      0.026
 104   35   44    3      0.026
 104   35   44   45    179.974
  23   36   43    4    179.974
  23   36   43   46      0.026
 103   36   43    4      0.026
 103   36   43   46    179.974
  30   37   48   54    179.974
  30   37   48  111      0.026
  50   37   48   54      0.026
  50   37   48  111    179.974
  30   37   50   52    179.974
  30   37   50  113      0.026
  48   37   50   52      0.026
  48   37   50  113    179.974
  29   38   47   53    179.974
  29   38   47  112      0.026
  49   38   47   53      0.026
  49   38   47  112    179.974
  29   38   49   51    179.974
  29   38   49  114      0.026
  47   38   49   51      0.026
  47   38   49  114    179.974
  31   39   45    6    179.974
  31   39   45   44      0.026
 106   39   45    6      0.026
 106   39   45   44    179.974
  32   40   46    5    179.974
  32   40   46   43      0.026
 105   40   46    5      0.026
 105   40   46   43    179.974
   4   43   46    5      0.026
   4   43   46   40    179.974
  36   43   46    5    179.974
  36   43   46   40      0.026
   3   44   45    6      0.026
   3   44   45   39    179.974
  35   44   45    6    179.974
  35   44   45   39      0.026
  38   47   53   10    179.974
  38   47   53   56      0.026
 112   47   53   10      0.026
 112   47   53   56    179.974
  37   48   54    9    179.974
  37   48   54   55      0.026
 111   48   54    9      0.026
 111   48   54   55    179.974
  38   49   51    8    179.974
  38   49   51   56      0.026
 114   49   51    8      0.026
 114   49   51   56    179.974
  37   50   52    7    179.974
  37   50   52   55      0.026
 113   50   52    7      0.026
 113   50   52   55    179.974
   8   51   56   12      0.026
   8   51   56   53    179.974
  49   51   56   12    179.974
  49   51   56   53      0.026
   7   52   55   11      0.026
   7   52   55   54    179.974
  50   52   55   11    179.974
  50   52   55   54      0.026
  10   53   56   12      0.026
  10   53   56   51    179.974
  47   53   56   12    179.974
  47   53   56   51      0.026
   9   54   55   11      0.026
   9   54   55   52    179.974
  48   54   55   11    179.974
  48   54   55   52      0.026
   1   57   63   66    179.974
   1   57   63  127      0.026
   1   57   63  128      0.026
  14   57   63   66      0.026
  14   57   63  127    179.974
  14   57   63  128    179.974
   2   58   64   65    179.974
   2   58   64  129      0.026
   2   58   64  130      0.026
  13   58   64   65      0.026
  13   58   64  129    179.974
  13   58   64  130    179.974
  57   63   66   74    179.974
  57   63   66  133      0.026
  57   63   66  134      0.026
 127   63   66   74      0.026
 127   63   66  133    179.974
 127   63   66  134    179.974
 128   63   66   74      0.026
 128   63   66  133    179.974
 128   63   66  134    179.974
  58   64   65   73    179.974
  58   64   65  131      0.026
  58   64   65  132      0.026
 129   64   65   73      0.026
 129   64   65  131    179.974
 129   64   65  132    179.974
 130   64   65   73      0.026
 130   64   65  131    179.974
 130   64   65  132    179.974
  64   65   73   74    179.974
  64   65   73  153      0.026
 131   65   73   74      0.026
 131   65   73  153    179.974
 132   65   73   74      0.026
 132   65   73  153    179.974
  63   66   74   73    179.974
  63   66   74  154      0.026
 133   66   74   73      0.026
 133   66   74  154    179.974
 134   66   74   73      0.026
 134   66   74  154    179.974
  65   73   74   66    179.974
  65   73   74  154      0.026
 153   73   74   66      0.026
 153   73   74  154    179.974


CHIRAL ATOMS
 153   73   74  154    179.974
 153   73   74  154    179.974
 153   73   74  154    179.974
 153   73   74  154    179.974