* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    204    342     624
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02101    77.00701   -87.83850
    3     1 S   H    _H1_     3     1.02084   100.59569    19.11538
    4     1 S   H    _H2_     4     1.02151    37.95368   126.00786
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.82521    97.67831  -178.15422
   34    33 S   HC   _H3_    37     1.08536   104.04599    37.46386
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.53603   112.73906   -80.03712
   39    38 S   HC   _H56    39     1.04204   111.62116    73.69935
   40    38 S   CT   _C17    40     1.54888   103.54405  -166.74100
   41    40 S   HC   _H52    41     1.14034   106.74635   -95.15560
   42    38 S   OS   _O35    97     1.42451   110.96989   -46.86643
   43    40 S   CM   _C7_    42     1.49821   114.40264   151.42065
   44    40 S   CT   _C23    52     1.59203   106.47113    20.17704
   45    42 S   CO4  _C9_    98     1.36980   116.00910   122.67669
   46    45 S   O    _O28    99     1.22402   125.85382     0.04423
   47    43 S   CM   _C4_    43     1.43894   118.55070   115.45882
   48    47 S   HC   _H35    44     1.08547   118.87520     0.06561
   49    44 S   CT   _C13    53     1.55506   107.44322  -110.16565
   50    49 S   HC   _H44    54     1.08081   110.22187    37.31019
   51    49 S   HC   _H45    55     1.08133   109.76240   -78.71365
   52    44 S   CT   _C28    93     1.54310   112.14956   130.80315
   53    52 S   HC   _H61    94     1.08110   108.62443   -61.54427
   54    52 S   HC   _H62    95     1.08072   108.66182   178.43665
   55    52 S   HC   _H63    96     1.08102   108.62625    58.42916
   56    45 S   CT   _C27   100     1.49841   110.08337   179.93147
   57    56 S   HC   _H58   101     1.09322   109.85344   -89.97711
   58    56 S   HC   _H59   102     1.09364   109.85056   148.09951
   59    56 S   HC   _H60   103     1.09390   109.38417    29.10701
   60    47 S   CM   _C5_    45     1.33692   120.93999  -179.98022
   61    60 S   HC   _H36    46     1.08439   121.40896   179.97202
   62    49 S   CT   _C10    56     1.52675   114.59782   160.61044
   63    62 S   HC   _H38    57     1.06773   106.38657    63.94676
   64    62 S   HC   _H39    58     1.07206   109.42847  -179.43733
   65    60 S   CO4  _C8_    47     1.47791   120.51266    -0.00000
   66    65 S   O    _O27    48     1.22644   120.63326  -179.95577
   67    62 S   CT   _C18    59     1.54202   111.07744   -58.73670
   68    67 S   HC   _H53    60     1.07769   105.99413   -55.20911
   69    65 S   OS   _O29    49     1.36987   117.32709     0.09691
   70    67 S   CT   _C19    61     1.55199   109.46275    59.81988
   71    70 S   HC   _H54    62     1.09186   108.35642  -169.55714
   72    43 S   CM   _C6_    50     1.33676   123.78986   -64.43713
   73    72 S   HC   _H37    51     1.07987   125.78045    -0.01978
   74    70 S   CT   _C11    63     1.54083   110.94923    76.09907
   75    74 S   HC   _H40    64     1.09200   112.02856   -66.11460
   76    74 S   HC   _H41    65     1.09731   110.09070   176.39554
   77    33 S   CT   _C26    90     1.55578   115.66663   160.94305
   78    74 S   CT   _C15    66     1.52786   111.75280    56.79387
   79    78 S   HC   _H48    67     1.09237   108.19758    67.47133
   80    78 S   HC   _H49    68     1.09618   107.68058  -177.53050
   81    77 S   OH   _O34    91     1.43552   108.02346    55.31216
   82    81 S   HO   _H69    92     0.96739   106.16853   176.27096
   83    78 S   CT   _C25    69     1.54240   112.98973   -56.38422
   84    83 S   CT   _C16    70     1.54833   110.33579   178.44128
   85    84 S   HC   _H50    71     1.10825   110.00161   149.93313
   86    84 S   HC   _H51    72     1.10849   109.61835    38.55948
   87    83 S   OH   _O33    88     1.43881   104.30114   -67.39368
   88    87 S   HO   _H68    89     0.96765   106.04898   -60.02388
   89    84 S   CT   _C20    73     1.53113   115.93212   -85.58826
   90    89 S   HC   _H55    74     1.10924   109.46725   133.18741
   91    89 S   CT   _C12    75     1.51920   114.57895    10.07138
   92    91 S   HC   _H42    76     1.10409   110.00600  -173.62256
   93    91 S   HC   _H43    77     1.10620   109.06296    73.41228
   94    89 S   OH   _O30    86     1.42913   108.42413  -111.99786
   95    94 S   HO   _H67    87     0.97037   106.52561   -54.60192
   96    91 S   CT   _C14    78     1.52902   114.05615   -48.86277
   97    96 S   HC   _H46    79     1.10603   107.07590   160.07130
   98    96 S   HC   _H47    80     1.11034   108.30802   -88.22711
   99    67 S   CT   _C24    81     1.58624   115.59496  -172.07640
  100    99 S   CT   _C29    82     1.55644   108.82272    45.66874
  101   100 S   HC   _H64    83     1.07933   108.37773   -63.91982
  102   100 S   HC   _H65    84     1.07940   108.38026   176.11566
  103   100 S   HC   _H66    85     1.07885   108.37549    56.15524
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  16   7  22   8   9  12  19   5   4   8   4
  15   7   6   7   3   2   1   3   2   1   1   5   3  12   5   4
   4   2  21   8   2  14   7   1   1  11   6   5   4  12   5   4
   1   1  17  14   7   6   5   1  10   6   9   6   5   2   1   7
   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    70    77    81    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    49    67    70    71    74    77    81    82    52    42    45  
   38    39    40    44    70    77    81    42  
   36    37  
   37  
    0  
   39    40    41    43    47    72    44    49    70    77    81    52    42    45    46    56  
   40    41    43    44    77    42    45  
   41    43    47    48    60    69    72    73    44    49    50    51    62    70    77    81    52    53    54    55    42    45  
   43    47    72    44    49    77    52    42  
   45    46    56    57    58    59    43    44    77  
   47    48    60    61    65    69    72    73    44    49    77    52  
   49    50    51    62    63    64    67    70    71    74    77    81    82    52    53    54    55    47    72  
   46    56    57    58    59  
   56    57    58    59  
   48    60    61    65    66    69    72    73  
   60    61    65    72  
   50    51    62    63    64    67    68    70    99    77    81    52    53    54    55  
   51    62    63    64    67    77    52  
   62    63    64    67    77    52  
   53    54    55    62    70    77    81  
   54    55    77  
   55    77  
   77  
   57    58    59  
   58    59  
   59  
    0  
   61    65    66    69    72  
   65    66    69  
   63    64    67    68    70    71    74    83    96    99   100    77  
   64    67    68    70    99  
   67    68    70    99  
   66    69    72    73  
   69    72  
   68    70    71    74    75    76    78    83    84    91    96    97    98    99   100   101   102   103    87    77    81  
   70    71    74    83    96    99   100    77  
   72    73  
   71    74    75    76    78    79    80    83    96    99   100    77    81    82  
   74    75    76    78    99    77    81  
   73  
    0  
   75    76    78    79    80    83    84    99    87    77    81  
   76    78    79    80    83    77  
   78    79    80    83    77  
   81    82    78    99  
   79    80    83    84    85    86    89    96    99   100    87    88  
   80    83    84    99    87  
   83    84    99    87  
   82  
    0  
   84    85    86    89    90    91    96    97    98    99   100   101   102   103    94    87    88  
   85    86    89    90    91    92    93    96    99   100    94    95    87    88  
   86    89    90    91    99    94    87  
   89    90    91    99    94    87  
   88    89    96    99   100  
   99  
   90    91    92    93    96    97    98    99    94    95  
   91    92    93    96    94    95  
   92    93    96    97    98    99   100    94    95  
   93    96    97    98    99    94  
   96    97    98    99    94  
   95    96  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    77   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    47   380.000  1.444
   43    72   549.000  1.340
   47    48   340.000  1.080
   47    60   549.000  1.340
   60    61   340.000  1.080
   60    65   320.000  1.462
   65    66   570.000  1.229
   65    69   214.000  1.327
   69    72   440.000  1.360
   72    73   340.000  1.080
   44    49   268.000  1.529
   44    77   268.000  1.529
   44    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    99   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   268.000  1.529
   83    84   268.000  1.529
   83    99   268.000  1.529
   83    87   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    94   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   94    95   553.000  0.945
   87    88   553.000  0.945
   77    81   320.000  1.410
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    45   214.000  1.327
   45    46   570.000  1.229
   45    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    77    44    58.35000  112.70000
   33    77    70    58.35000  112.70000
   33    77    81    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    70.00000  112.02700
   38    40    44    58.35000  112.70000
   38    42    45    83.00000  116.90000
   40    38    39    37.50000  110.70000
   40    43    47    70.00000  124.00000
   40    43    72    70.00000  124.00000
   40    44    49    58.35000  112.70000
   40    44    77    58.35000  112.70000
   40    44    52    58.35000  112.70000
   43    40    41    35.00000  109.50000
   43    47    48    35.00000  120.00000
   43    47    60    70.00000  123.01800
   43    72    69    80.00000  120.01400
   43    72    73    35.00000  120.00000
   47    60    61    35.00000  120.00000
   47    60    65    65.00000  118.96000
   60    47    48    35.00000  120.00000
   60    65    66    80.00000  123.72100
   60    65    69    90.00000  111.29400
   65    60    61    40.00000  117.72500
   65    69    72    90.00000  114.22900
   69    65    66    83.00000  123.40000
   69    72    73    55.00000  109.52600
   72    43    47    70.00000  123.01800
   44    40    41    37.50000  110.70000
   44    40    43    70.00000  112.02700
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    62    58.35000  112.70000
   44    77    70    58.35000  112.70000
   44    77    81    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   49    62    63    37.50000  110.70000
   49    62    64    37.50000  110.70000
   49    62    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   62    49    50    37.50000  110.70000
   62    49    51    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    70    58.35000  112.70000
   62    67    99    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    77    58.35000  112.70000
   67    99    83    58.35000  112.70000
   67    99    96    58.35000  112.70000
   67    99   100    58.35000  112.70000
   70    67    68    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    77    81    50.00000  109.50000
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   78    74    75    37.50000  110.70000
   78    74    76    37.50000  110.70000
   78    83    84    58.35000  112.70000
   78    83    99    58.35000  112.70000
   78    83    87    50.00000  109.50000
   80    78    79    33.00000  107.80000
   83    78    79    37.50000  110.70000
   83    78    80    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    86    37.50000  110.70000
   83    84    89    58.35000  112.70000
   83    99    96    58.35000  112.70000
   83    99   100    58.35000  112.70000
   83    87    88    55.00000  108.50000
   84    89    90    37.50000  110.70000
   84    89    91    58.35000  112.70000
   84    89    94    50.00000  109.50000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    93    37.50000  110.70000
   89    91    96    58.35000  112.70000
   89    94    95    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    58.35000  112.70000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   96    99   100    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    67    68    37.50000  110.70000
   99    67    70    58.35000  112.70000
   99    83    84    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   94    89    90    35.00000  109.50000
   94    89    91    50.00000  109.50000
   87    83    84    50.00000  109.50000
   87    83    99    50.00000  109.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    44    49    58.35000  112.70000
   77    70    71    37.50000  110.70000
   77    70    74    58.35000  112.70000
   77    81    82    55.00000  108.50000
   52    44    49    58.35000  112.70000
   52    44    77    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    45    46    83.00000  123.40000
   42    45    56    81.00000  111.40000
   45    56    57    35.00000  109.50000
   45    56    58    35.00000  109.50000
   45    56    59    35.00000  109.50000
   56    45    46    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
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   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96    99   0.15000  1.0 3.0
   93    91    96    97   0.15000  1.0 3.0
   93    91    96    98   0.15000  1.0 3.0
   93    91    96    99   0.15000  1.0 3.0
   96    99   100   101   0.15000  1.0 3.0
   96    99   100   102   0.15000  1.0 3.0
   96    99   100   103   0.15000  1.0 3.0
   97    96    99    67   0.15000  1.0 3.0
   97    96    99    83   0.15000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   98    96    99    67   0.15000  1.0 3.0
   98    96    99    83   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   99    67    70    71   0.15000  1.0 3.0
   99    67   -70    74   0.56750  1.0 1.0
   99    67   -70    74  -0.07550 -1.0 2.0
   99    67   -70    74   0.20000  1.0 3.0
   99    67    70    77   0.56750  1.0 1.0
   99    67    70    77  -0.07550 -1.0 2.0
   99    67    70    77   0.20000  1.0 3.0
   99    83    84    85   0.15000  1.0 3.0
   99    83    84    86   0.15000  1.0 3.0
   99    83   -84    89   0.56750  1.0 1.0
   99    83   -84    89  -0.07550 -1.0 2.0
   99    83   -84    89   0.20000  1.0 3.0
   99    83    87    88  -0.11600  1.0 1.0
   99    83    87    88  -0.09450 -1.0 2.0
   99    83    87    88   0.21250  1.0 3.0
   94    89    91    92   0.23400  1.0 3.0
   94    89    91    93   0.23400  1.0 3.0
   94    89    91    96   0.86500  1.0 1.0
   94    89    91    96  -0.17500 -1.0 2.0
   94    89    91    96   0.20800  1.0 3.0
   87    83    84    85   0.23400  1.0 3.0
   87    83    84    86   0.23400  1.0 3.0
   87    83    84    89   0.86500  1.0 1.0
   87    83    84    89  -0.17500 -1.0 2.0
   87    83    84    89   0.20800  1.0 3.0
   87    83    99    67   0.86500  1.0 1.0
   87    83    99    67  -0.17500 -1.0 2.0
   87    83    99    67   0.20800  1.0 3.0
   87    83    99    96   0.86500  1.0 1.0
   87    83    99    96  -0.17500 -1.0 2.0
   87    83    99    96   0.20800  1.0 3.0
   87    83    99   100   0.86500  1.0 1.0
   87    83    99   100  -0.17500 -1.0 2.0
   87    83    99   100   0.20800  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33   -38    40   0.56750  1.0 1.0
   77    33   -38    40  -0.07550 -1.0 2.0
   77    33   -38    40   0.20000  1.0 3.0
   77    33    38    42   0.62750  1.0 1.0
   77    33    38    42  -0.30950 -1.0 2.0
   77    33    38    42   0.27300  1.0 3.0
   77    44    49    50   0.15000  1.0 3.0
   77    44    49    51   0.15000  1.0 3.0
   77    44   -49    62   0.56750  1.0 1.0
   77    44   -49    62  -0.07550 -1.0 2.0
   77    44   -49    62   0.20000  1.0 3.0
   77    44    52    53   0.15000  1.0 3.0
   77    44    52    54   0.15000  1.0 3.0
   77    44    52    55   0.15000  1.0 3.0
   77    70    74    75   0.15000  1.0 3.0
   77    70    74    76   0.15000  1.0 3.0
   77    70    74    78   0.56750  1.0 1.0
   77    70    74    78  -0.07550 -1.0 2.0
   77    70    74    78   0.20000  1.0 3.0
   52    44    49    50   0.15000  1.0 3.0
   52    44    49    51   0.15000  1.0 3.0
   52    44    49    62   0.56750  1.0 1.0
   52    44    49    62  -0.07550 -1.0 2.0
   52    44    49    62   0.20000  1.0 3.0
   52    44    77    33   0.56750  1.0 1.0
   52    44    77    33  -0.07550 -1.0 2.0
   52    44    77    33   0.20000  1.0 3.0
   52    44    77    70   0.56750  1.0 1.0
   52    44    77    70  -0.07550 -1.0 2.0
   52    44    77    70   0.20000  1.0 3.0
   52    44    77    81   0.86500  1.0 1.0
   52    44    77    81  -0.17500 -1.0 2.0
   52    44    77    81   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.61850  1.0 1.0
   42    38    40    43  -0.22750 -1.0 2.0
   42    38    40    43   0.15300  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
   42    45    56    57   0.00000  1.0 1.0
   42    45    56    58   0.00000  1.0 1.0
   42    45    56    59   0.00000  1.0 1.0
   46    45    56    57   0.00000  1.0 1.0
   46    45    56    58   0.00000  1.0 1.0
   46    45    56    59   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   40    47    43    72   1.10000 -1.0 2.0
   43    48    47    60   1.10000 -1.0 2.0
   65    61    60    47   1.10000 -1.0 2.0
   60    69    65    66  10.50000 -1.0 2.0
   69    73    72    43   1.10000 -1.0 2.0
   42    56    45    46  10.50000 -1.0 2.0
END
