* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    148    228     443
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02032    82.51159    51.66549
    3     1 S   H    _H1_     3     1.02111    34.82993  -169.37414
    4     1 S   H    _H2_     4     1.02063    96.92260   -56.38251
    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   _C7_    36     1.83818    97.63836  -178.13848
   34    33 S   HC   _H3_    37     1.09564   105.62372   -39.60110
   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   CM   _C4_    38     1.50550   108.27010    79.99750
   39    38 S   OS   _O18    39     1.38515   116.37531    71.65814
   40    38 S   CMA  _C5_    79     1.33930   123.49491  -106.43979
   41    40 S   OM   _O16    80     1.26805   126.44762   180.00000
   42    39 S   CO   _C15    40     1.43068   112.25060    56.90670
   43    42 S   HC   _H36    41     1.09761   109.78482    66.84031
   44    40 S   OH   _O20    81     1.40935   111.84458     0.04423
   45    44 S   HO   _H43    82     0.97374   105.64537   179.98022
   46    42 S   CT   _C12    42     1.53360   112.39890   -56.81177
   47    46 S   HC   _H33    43     1.09524   111.10156   -69.53013
   48    42 S   OS   _O26    50     1.42851   109.38756  -176.18464
   49    33 S   CT   _C9_    44     1.53417   113.03470  -158.40403
   50    49 S   HC   _H30    45     1.09776   108.71228   166.88450
   51    46 S   OH   _O23    48     1.42792   108.13212   173.53152
   52    51 S   HO   _H46    49     0.96947   106.41191   -59.88865
   53    48 S   CT   _C10    51     1.42559   111.40888   -58.75416
   54    53 S   HC   _H31    52     1.09797   107.24467    -0.01978
   55    49 S   OH   _O21    46     1.42423   110.32975    50.95373
   56    55 S   HO   _H44    47     0.96978   106.62052    60.01172
   57    53 S   CT   _C8_    53     1.53216   109.57350  -118.73032
   58    57 S   HC   _H29    54     1.09727   109.93711   -49.60729
   59    57 S   CO   _C14    55     1.53576   110.64837  -171.60361
   60    59 S   HC   _H35    56     1.09781   110.90772   -69.32962
   61    57 S   N    _N15    71     1.44918   110.25532    66.06133
   62    61 S   H    _H42    72     1.01337   118.45462    61.44410
   63    59 S   OS   _O19    57     1.42816   111.12505    52.62378
   64    59 S   OH   _O24    69     1.42742   108.13895   172.65420
   65    64 S   HO   _H47    70     0.96929   106.39427  -179.96044
   66    61 S   C    _C6_    73     1.38004   123.03691  -118.54866
   67    66 S   O    _O17    74     1.22599   126.57271    -0.02798
   68    63 S   CT   _C13    58     1.43193   113.19032   -60.36256
   69    68 S   HC   _H34    59     1.09720   108.65533   -57.34895
   70    66 S   CT   _C16    75     1.49201   113.91243   179.93147
   71    70 S   HC   _H37    76     1.10215   112.49883    89.99544
   72    70 S   HC   _H38    77     1.10222   112.43051  -151.32962
   73    70 S   HC   _H39    78     1.10136   115.32634   -30.72345
   74    53 S   CT   _C11    60     1.53042   109.86525   118.72934
   75    74 S   HC   _H32    61     1.09587   109.81308   -63.14556
   76    68 S   CT   _C17    64     1.52356   107.32336  -174.17617
   77    76 S   HC   _H40    65     1.09034   110.06230   -41.04343
   78    76 S   HC   _H41    66     1.09140   110.02951  -161.98133
   79    74 S   OH   _O22    62     1.42966   108.49065    53.71598
   80    79 S   HO   _H45    63     0.96815   106.24117   180.00000
   81    76 S   OH   _O25    67     1.41655   108.61321    78.55783
   82    81 S   HO   _H48    68     0.97228   107.04397   180.00000
  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   9   5   4   3
  14   7   2   1   1  12  11   5   2  13   6   1   1   9   6  12
   5   3   2   1  17   8   1   1  15   8  11   5  10   3  11   2
   1   5   4  10   7   3   2   1   1   7   3   5   3   2   1   1
   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    55    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    47    49    50    55    56    51    40    41    44  
   38    39    46    49    50    55    40  
   36    37  
   37  
    0  
   39    42    43    46    49    50    55    48    40    41    44    45  
   42    43    46    47    49    51    48    53    40    41    44  
   41    44    45    42    49  
   44    45  
   43    46    47    49    50    55    51    52    48    53    54    57    74  
   46    47    49    51    48    53  
   45  
    0  
   47    49    50    55    56    51    52    48    53  
   49    50    55    51    52    48  
   53    54    57    58    59    68    74    75    79    61    49    51  
   50    55    56    51    52  
   55    56    51  
   52    55  
    0  
   54    57    58    59    60    63    68    69    74    75    79    80    76    64    61    62    66  
   57    58    59    68    74    75    79    61  
   56  
    0  
   58    59    60    63    68    74    75    79    64    65    61    62    66    67    70  
   59    60    63    74    64    61    62    66  
   60    63    68    69    74    76    64    65    61    62    66  
   63    68    64    65    61  
   62    66    67    70    71    72    73    63    64    74  
   66    67    70  
   68    69    74    75    79    76    77    78    81    64    65  
   65    68  
    0  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    79    80    76    77    78    81    82  
   74    75    79    76    77    78    81  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    76    77    78    81  
   79    80    76  
   77    78    81    82    79  
   78    81    82  
   81    82  
   80  
    0  
   82  
    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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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
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   317.000  1.510
   33    49   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    42   320.000  1.380
   42    43   340.000  1.090
   42    46   250.000  1.527
   42    48   320.000  1.380
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    55   320.000  1.410
   55    56   553.000  0.945
   51    52   553.000  0.945
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    74   268.000  1.529
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   337.000  1.449
   59    60   340.000  1.090
   59    63   320.000  1.380
   59    64   380.000  1.407
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   268.000  1.529
   74    75   340.000  1.090
   74    79   320.000  1.410
   79    80   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   320.000  1.410
   81    82   553.000  0.945
   64    65   553.000  0.945
   61    62   434.000  1.010
   61    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   40    41   745.000  1.250
   40    44   510.000  1.338
   44    45   553.000  0.945
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  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    42    85.00000  113.97000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  121.38400
   39    42    43    35.00000  109.50000
   39    42    46    90.00000  108.56700
   39    42    48    92.60000  111.55000
   42    46    47    45.00000  108.72000
   42    46    49    75.00000  109.43000
   42    46    51    90.00000  111.58700
   42    48    53    60.00000  109.50000
   46    42    43    45.00000  112.01100
   46    49    50    37.50000  110.70000
   46    49    55    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    46    47    37.50000  110.70000
   49    55    56    55.00000  108.50000
   55    49    50    35.00000  109.50000
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    42    46    90.00000  108.56700
   48    53    54    35.00000  109.50000
   48    53    57    50.00000  109.50000
   48    53    74    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    75.00000  109.43000
   53    57    61    70.00000  110.72300
   53    74    68    58.35000  112.70000
   53    74    75    37.50000  110.70000
   53    74    79    50.00000  109.50000
   57    53    54    37.50000  110.70000
   57    59    60    45.00000  112.01100
   57    59    63    90.00000  108.56700
   57    59    64    90.00000  110.19100
   57    61    62    38.00000  118.40000
   57    61    66    50.00000  121.90000
   59    57    58    45.00000  108.72000
   59    63    68    60.00000  109.50000
   59    64    65    70.00000  107.92000
   63    59    60    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    74    50.00000  109.50000
   63    68    76    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    79    50.00000  109.50000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    81    50.00000  109.50000
   74    53    54    37.50000  110.70000
   74    53    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    55.00000  108.50000
   79    74    75    35.00000  109.50000
   76    68    69    37.50000  110.70000
   76    68    74    58.35000  112.70000
   76    81    82    55.00000  108.50000
   78    76    77    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   64    59    60    60.00000  108.02500
   64    59    63   110.00000  112.08000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  110.72300
   61    66    67    80.00000  122.90000
   61    66    70    70.00000  116.60000
   66    61    62    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   40    38    39    80.00000  120.01400
   40    44    45    70.00000  107.45700
   44    40    41   115.00000  116.36000
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
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   33    38    39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    49    55    56  -0.11600  1.0 1.0
   33    49    55    56  -0.09450 -1.0 2.0
   33    49    55    56   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    55   0.23400  1.0 3.0
   38    33    49    46   0.34400  1.0 1.0
   38    33    49    46   0.09450 -1.0 2.0
   38    33    49    46   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    55   1.05650  1.0 1.0
   38    33    49    55   0.15600 -1.0 2.0
   38    33    49    55   0.53150  1.0 3.0
   38    39    42    43   0.08050  1.0 3.0
   38    39   -42    46  -0.46850  1.0 1.0
   38    39   -42    46   0.09300 -1.0 2.0
   38    39   -42    46  -0.12850  1.0 3.0
   38    39    42    48  -0.48150  1.0 1.0
   38    39    42    48   0.09250 -1.0 2.0
   38    39    42    48  -0.12850  1.0 3.0
   38    40    44    45  -0.66100  1.0 1.0
   38    40    44    45   1.20850 -1.0 2.0
   38    40    44    45  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    46    47   0.23400  1.0 3.0
   39    42    46    49   0.62750  1.0 1.0
   39    42    46    49  -0.30950 -1.0 2.0
   39    42    46    49   0.27300  1.0 3.0
   39    42    46    51   3.69350  1.0 1.0
   39    42    46    51  -1.82950 -1.0 2.0
   39    42    48    53  -0.53350  1.0 1.0
   39    42    48    53  -0.78350 -1.0 2.0
   39    42    48    53   0.33750  1.0 3.0
   42    46   -49    33   3.97050  1.0 1.0
   42    46    49    50   0.15000  1.0 3.0
   42    46    49    55   0.86500  1.0 1.0
   42    46    49    55  -0.17500 -1.0 2.0
   42    46    49    55   0.20800  1.0 3.0
   42    46    51    52  -0.11600  1.0 1.0
   42    46    51    52  -0.09450 -1.0 2.0
   42    46    51    52   0.21250  1.0 3.0
   42    48    53    54   0.37050  1.0 3.0
   42    48    53    57   0.06250  1.0 1.0
   42    48    53    57  -0.01100 -1.0 2.0
   42    48    53    57   0.28050  1.0 3.0
   42    48    53    74   0.06250  1.0 1.0
   42    48    53    74  -0.01100 -1.0 2.0
   42    48    53    74   0.28050  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    46    51   0.23400  1.0 3.0
   43    42    48    53   0.37050  1.0 3.0
   46    42    48    53   0.06250  1.0 1.0
   46    42    48    53  -0.01100 -1.0 2.0
   46    42    48    53   0.28050  1.0 3.0
   46    49    55    56  -0.11600  1.0 1.0
   46    49    55    56  -0.09450 -1.0 2.0
   46    49    55    56   0.21250  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33   -38    39   0.09700  1.0 1.0
   49    33   -38    39   0.15600 -1.0 2.0
   49    33   -38    39  -0.50800  1.0 3.0
   49    33    38    40   0.09850  1.0 1.0
   49    33    38    40   0.15250 -1.0 2.0
   49    33    38    40  -0.50650  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    55   3.75450  1.0 1.0
   48    42    46    47   0.23400  1.0 3.0
   48    42    46    49   0.62750  1.0 1.0
   48    42    46    49  -0.30950 -1.0 2.0
   48    42    46    49   0.27300  1.0 3.0
   48    42    46    51   3.69350  1.0 1.0
   48    42    46    51  -1.82950 -1.0 2.0
   48    53    57    58   0.23400  1.0 3.0
   48    53    57    59   0.62750  1.0 1.0
   48    53    57    59  -0.30950 -1.0 2.0
   48    53    57    59   0.27300  1.0 3.0
   48    53    57    61   1.12100  1.0 1.0
   48    53    57    61  -0.16500 -1.0 2.0
   48    53    74    68   0.62750  1.0 1.0
   48    53    74    68  -0.30950 -1.0 2.0
   48    53    74    68   0.27300  1.0 3.0
   48    53    74    75   0.23400  1.0 3.0
   48    53    74    79   3.69350  1.0 1.0
   48    53    74    79  -1.82950 -1.0 2.0
   53    57    59    60   0.15000  1.0 3.0
   53    57    59    63   0.62750  1.0 1.0
   53    57    59    63  -0.30950 -1.0 2.0
   53    57    59    63   0.27300  1.0 3.0
   53    57    59    64   0.86500  1.0 1.0
   53    57    59    64  -0.17500 -1.0 2.0
   53    57    59    64   0.20800  1.0 3.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    66  -0.43950  1.0 1.0
   53    57    61    66  -0.08100 -1.0 2.0
   53    57    61    66   0.03350  1.0 3.0
   53    74    79    80  -0.11600  1.0 1.0
   53    74    79    80  -0.09450 -1.0 2.0
   53    74    79    80   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    74    68   0.15000  1.0 3.0
   54    53    74    75   0.15000  1.0 3.0
   54    53    74    79   0.23400  1.0 3.0
   57    53    74    68   0.56750  1.0 1.0
   57    53    74    68  -0.07550 -1.0 2.0
   57    53    74    68   0.20000  1.0 3.0
   57    53    74    75   0.15000  1.0 3.0
   57    53    74    79   0.86500  1.0 1.0
   57    53    74    79  -0.17500 -1.0 2.0
   57    53    74    79   0.20800  1.0 3.0
   57    59   -63    68   0.06250  1.0 1.0
   57    59   -63    68  -0.01100 -1.0 2.0
   57    59   -63    68   0.28050  1.0 3.0
   57    59    64    65  -0.11600  1.0 1.0
   57    59    64    65  -0.09450 -1.0 2.0
   57    59    64    65   0.21250  1.0 3.0
   57    61    66    67   3.04450 -1.0 2.0
   57    61    66    70   1.49850  1.0 1.0
   57    61    66    70   1.53950 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    66   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    66  -0.43950  1.0 1.0
   59    57    61    66  -0.08100 -1.0 2.0
   59    57    61    66   0.03350  1.0 3.0
   59    63    68    69   0.37050  1.0 3.0
   59    63    68    74   0.06250  1.0 1.0
   59    63    68    74  -0.01100 -1.0 2.0
   59    63    68    74   0.28050  1.0 3.0
   59    63    68    76   0.06250  1.0 1.0
   59    63    68    76  -0.01100 -1.0 2.0
   59    63    68    76   0.28050  1.0 3.0
   60    59    63    68   0.37050  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   63    59    64    65  -0.50000  1.0 1.0
   63    59    64    65  -0.73950 -1.0 2.0
   63    59    64    65   0.17150  1.0 3.0
   63    68   -74    53   0.62750  1.0 1.0
   63    68   -74    53  -0.30950 -1.0 2.0
   63    68   -74    53   0.27300  1.0 3.0
   63    68    74    75   0.23400  1.0 3.0
   63    68    74    79   3.69350  1.0 1.0
   63    68    74    79  -1.82950 -1.0 2.0
   63    68    76    77   0.23400  1.0 3.0
   63    68    76    78   0.23400  1.0 3.0
   63    68    76    81   3.69350  1.0 1.0
   63    68    76    81  -1.82950 -1.0 2.0
   68    74    79    80  -0.11600  1.0 1.0
   68    74    79    80  -0.09450 -1.0 2.0
   68    74    79    80   0.21250  1.0 3.0
   68    76    81    82  -0.11600  1.0 1.0
   68    76    81    82  -0.09450 -1.0 2.0
   68    76    81    82   0.21250  1.0 3.0
   69    68    74    53   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    81   0.23400  1.0 3.0
   74    53    57    58   0.15000  1.0 3.0
   74    53   -57    59   3.97050  1.0 1.0
   74    53    57    61  -0.27100  1.0 1.0
   74    53    57    61  -0.01700 -1.0 2.0
   74    53    57    61  -0.48600  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    81   0.86500  1.0 1.0
   74    68    76    81  -0.17500 -1.0 2.0
   74    68    76    81   0.20800  1.0 3.0
   75    74    79    80   0.19450  1.0 3.0
   76    68    74    53   0.56750  1.0 1.0
   76    68    74    53  -0.07550 -1.0 2.0
   76    68    74    53   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    79   0.86500  1.0 1.0
   76    68    74    79  -0.17500 -1.0 2.0
   76    68    74    79   0.20800  1.0 3.0
   77    76    81    82   0.19450  1.0 3.0
   78    76    81    82   0.19450  1.0 3.0
   64    59    63    68  -0.81800  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   1.12100  1.0 1.0
   61    57    59    63  -0.16500 -1.0 2.0
   61    57    59    64   2.76900  1.0 1.0
   61    57    59    64  -0.24350 -1.0 2.0
   61    57    59    64  -0.78250  1.0 3.0
   61    66    70    71   0.00000  1.0 1.0
   61    66    70    72   0.00000  1.0 1.0
   61    66    70    73   0.00000  1.0 1.0
   62    61    66    67   2.45000 -1.0 2.0
   62    61    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   40    38    39    42  -2.26850  1.0 1.0
   40    38    39    42   3.39050 -1.0 2.0
   41    40    44    45   2.00000 -1.0 2.0
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
   33    39    38    40   1.10000 -1.0 2.0
   62    66    61    57   1.00000 -1.0 2.0
   61    70    66    67  10.50000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
