* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    158    241     465
    1     0 S   NP   _N1_     1    28.89054    94.40137   -20.14944
    2     1 S   H    _HN1     2     1.02777    83.78867   -68.24110
    3     1 S   H    _H1_     3     1.02970    96.79827    39.54120
    4     1 S   H    _H2_     4     1.02831    31.41142   151.22931
    5     1 S   CT   _CA1     5     1.50144   140.63802   173.82080
    6     5 S   HC   _HA1     6     1.09569   105.24029    46.66964
    7     5 S   CO3  _C1_     7     1.53761   112.40000   -73.48953
    8     7 S   O2Z  _O11     8     1.26347   115.09344   -41.20065
    9     7 S   O2Z  _O12     9     1.26249   115.04909   138.19107
   10     5 S   CT   _CB1    10     1.53119   107.38038   164.59806
   11    10 S   HC   HB11    11     1.09817   109.31961   -50.16232
   12    10 S   HC   HB12    12     1.09819   110.34146    66.32198
   13    10 S   CT   _CG1    13     1.53022   112.81948  -171.34601
   14    13 S   HC   HG11    14     1.09533   110.30479   -61.87319
   15    13 S   HC   HG12    15     1.09627   110.17309    57.24783
   16    13 S   C    _CD1    16     1.51852   112.20421   177.32966
   17    16 S   O    _OE1    17     1.22733   123.15756   -13.49185
   18    16 S   N    _N2_    18     1.38625   111.74727   167.40311
   19    18 S   H    _HN2    19     1.01576   118.99571     1.19370
   20    18 S   CT1  _CA2    20     1.46333   123.45939  -178.14607
   21    20 S   HC   _HA2    21     1.09732   109.38740   -16.54887
   22    20 S   C    _C2_    22     1.53387   108.07124  -132.28459
   23    22 S   O    _O2_    23     1.22998   122.32500  -144.28424
   24    20 S   CT   _CB2    32     1.53574   111.25107   105.72845
   25    24 S   HC   HB21    33     1.09245   109.14793    55.35581
   26    24 S   HC   HB22    34     1.09516   110.57447   173.28537
   27    22 S   N    _N3_    24     1.38534   113.26209    42.91193
   28    27 S   H    _HN3    25     1.01536   118.92552    -0.36850
   29    24 S   S    _SG2    35     1.82941   111.24183   -68.05598
   30    27 S   CT   _CA3    26     1.45448   123.40698   175.25084
   31    30 S   HC   HA31    27     1.09525   109.20157    25.04640
   32    30 S   HC   HA32    28     1.09495   107.12959   142.03979
   33    29 S   CT   _C18    36     1.87043   102.95445   144.72250
   34    30 S   CO3  _C3_    29     1.52926   113.13981   -98.40940
   35    34 S   O2Z  _O31    30     1.26400   115.41222   -44.46490
   36    34 S   O2Z  _O32    31     1.26356   114.97865   136.47387
   37    33 S   CT   _C15    37     1.55145   109.02561    52.39984
   38    37 S   HC   _H34    38     1.09781   110.85757    41.57074
   39    37 S   HC   _H35    39     1.09774   109.54782   -75.73951
   40    33 S   CT   _C17    50     1.55979   108.67306   170.79214
   41    40 S   HC   _H37    51     1.09745   109.94867    64.52217
   42    33 S   CT   _C24    69     1.56034   109.47979   -67.12094
   43    42 S   HC   _H50    70     1.09654   109.24653   175.28682
   44    42 S   HC   _H51    71     1.09535   111.16536    59.39136
   45    37 S   CA   _C6_    40     1.51589   114.92919   162.84728
   46    40 S   CO4  _C10    52     1.54666   113.62519   -52.72267
   47    46 S   O    _O22    53     1.23081   122.19853   -66.47149
   48    42 S   CO4  _C13    72     1.52692   117.65856   -63.58081
   49    48 S   O    _O25    73     1.22984   123.51390    15.70475
   50    45 S   CA   _C4_    41     1.40692   117.53501   164.68126
   51    50 S   HA   _H32    42     1.08757   119.65148     0.24309
   52    46 S   CT   _C21    54     1.51769   116.28302   116.99212
   53    52 S   HC   _H44    55     1.09499   106.90948    81.00278
   54    52 S   HC   _H45    56     1.09453   109.65526   -36.79098
   55    48 S   CT   _C22    74     1.51324   116.27317  -165.28807
   56    55 S   HC   _H46    75     1.09349   107.11776  -120.66768
   57    55 S   HC   _H47    76     1.09438   110.18889    -3.65875
   58    50 S   CA   _C8_    43     1.39128   120.36932  -179.34419
   59    52 S   CO4  _C11    57     1.51286   115.53179  -157.40414
   60    59 S   O    _O23    58     1.23016   122.69831    27.67109
   61    55 S   CO4  _C12    77     1.51259   113.53257   117.78586
   62    61 S   O    _O24    78     1.23113   121.34149   -22.18951
   63    58 S   CA   _C5_    44     1.38715   120.60994     0.34264
   64    63 S   HA   _H33    45     1.08619   119.86509   178.68240
   65    59 S   CT   _C19    59     1.50643   116.33352  -155.37440
   66    65 S   HC   _H38    60     1.09281   109.62326    60.26787
   67    65 S   HC   _H39    61     1.09355   109.73008   179.56569
   68    65 S   HC   _H40    62     1.09272   109.53799   -60.82178
   69    58 S   OH   _O27    67     1.36597   121.13080   179.69162
   70    69 S   HO   _H52    68     0.97241   108.63057     1.09647
   71    61 S   CT   _C23    79     1.51462   116.36640   162.69287
   72    71 S   HC   _H48    80     1.09569   106.67466    85.39766
   73    71 S   HC   _H49    81     1.09527   108.62258   -31.73253
   74    63 S   CA   _C9_    46     1.39628   119.24926    -0.89065
   75    71 S   CO4  _C14    82     1.51081   115.32610  -152.25667
   76    75 S   O    _O26    83     1.22396   124.66612    12.78554
   77    45 S   CA   _C7_    47     1.41163   122.59744   -16.83758
   78    74 S   OH   _O28    65     1.37081   118.82353   177.74163
   79    78 S   HO   _H53    66     0.97197   109.00288     2.60489
   80    75 S   S    _S31    84     1.76868   113.08108  -168.73776
   81    77 S   CT   _C16    48     1.51702   120.51638     1.72522
   82    81 S   HC   _H36    49     1.09742   106.38245   103.79487
   83    80 S   CT   _C20    85     1.80600   100.28504  -177.09862
   84    83 S   HC   _H41    86     1.09325   109.27382   179.76344
   85    83 S   HC   _H42    87     1.09342   110.52231    60.43534
   86    83 S   HC   _H43    88     1.09339   110.53581   -60.90536
   87    81 S   OH   _O29    63     1.42863   111.70481  -140.46944
   88    87 S   HO   _H54    64     0.97248   107.37959  -164.47637
  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  13   5   4   3
  20   2   1   1  16   6   5  18   8  11   4   3  11  11   5   7
   4   9   4   9   4   3   8   4   3   7   5   4   7   4   8   4
   3   2   1   1   2   1   6   4   3   6   6   2   6   2   1   4
   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    81    40    41    46    42    43    44    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    50    77    81    82    40    41    46    47    52    87    42    43    44    48    49    55  
   35    36  
   36  
    0  
   38    39    45    50    51    58    74    77    81    40    41    46    42    43    44    48  
   39    45    50    77    40    42  
   45    50    77    40    42  
   41    46    47    52    53    54    59    87    88    42    43    44    48    45    74    77    81    82  
   46    47    52    87    42    77    81    82  
   43    44    48    49    55    56    57    61    45    46    81  
   44    48    49    55  
   48    49    55  
   50    51    58    63    74    77    81    82    87    78    69  
   47    52    53    54    59    60    65    87    77    81    82  
   52    53    54    59    81  
   49    55    56    57    61    62    71  
   55    56    57    61  
   51    58    63    64    74    77    81    69    70  
   58    63    77    69  
   53    54    59    60    65    66    67    68    81  
   54    59    60    65  
   59    60    65  
   56    57    61    62    71    72    73    75  
   57    61    62    71  
   61    62    71  
   63    64    74    77    78    69    70  
   60    65    66    67    68  
   65    66    67    68  
   62    71    72    73    75    76    80  
   71    72    73    75  
   64    74    77    81    78    79    69    70  
   74    77    78    69  
   66    67    68  
   67    68  
   68  
    0  
   70    74  
    0  
   72    73    75    76    80    83  
   73    75    76    80  
   75    76    80  
   77    81    82    87    78    79  
   76    80    83    84    85    86  
   80    83  
   81    82    87    88    78    79  
   79    81  
    0  
   83    84    85    86  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   81   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   317.000  1.510
   45    50   469.000  1.400
   45    77   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   469.000  1.400
   58    69   450.000  1.364
   63    64   367.000  1.080
   63    74   469.000  1.400
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    81   317.000  1.510
   81    82   340.000  1.090
   81    40   268.000  1.529
   81    87   320.000  1.410
   40    41   340.000  1.090
   40    46   317.000  1.522
   46    47   570.000  1.229
   46    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.522
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   87    88   553.000  0.945
   78    79   553.000  0.945
   69    70   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   317.000  1.522
   48    49   570.000  1.229
   48    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   317.000  1.522
   61    62   570.000  1.229
   61    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   570.000  1.229
   75    80   210.000  1.799
   80    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    70.00000  112.17500
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    63.00000  111.10000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    48    63.00000  111.10000
   37    45    50    70.00000  120.00000
   37    45    77    70.00000  120.00000
   39    37    38    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    39    35.00000  109.50000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    77    74    63.00000  120.00000
   45    77    81    70.00000  120.00000
   50    58    63    63.00000  120.00000
   50    58    69    70.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    74    63.00000  120.00000
   58    69    70    35.00000  113.00000
   63    74    77    63.00000  120.00000
   63    74    78    70.00000  120.00000
   74    63    64    35.00000  120.00000
   74    77    81    70.00000  120.00000
   74    78    79    35.00000  113.00000
   77    45    50    63.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    40    70.00000  112.17500
   77    81    87    90.00000  112.51600
   81    40    41    37.50000  110.70000
   81    40    46    63.00000  111.10000
   81    87    88    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    46    47    80.00000  120.40000
   40    46    52    70.00000  116.00000
   46    40    41    35.00000  109.50000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    59    75.00000  107.99600
   52    46    47    80.00000  120.40000
   52    59    60    80.00000  120.40000
   52    59    65    70.00000  116.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   65    59    60    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   87    81    82    35.00000  109.50000
   87    81    40    50.00000  109.50000
   78    74    77    70.00000  120.00000
   69    58    63    70.00000  120.00000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    48    49    80.00000  120.40000
   42    48    55    70.00000  116.00000
   44    42    43    33.00000  107.80000
   48    42    43    35.00000  109.50000
   48    42    44    35.00000  109.50000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    61    75.00000  107.99600
   55    48    49    80.00000  120.40000
   55    61    62    80.00000  120.40000
   55    61    71    70.00000  116.00000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    71    72    35.00000  109.50000
   61    71    73    35.00000  109.50000
   61    71    75    75.00000  107.99600
   71    61    62    80.00000  120.40000
   71    75    76    80.00000  120.40000
   71    75    80    70.00000  114.16300
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   75    80    83    90.00000   96.72000
   80    75    76    80.00000  121.30200
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    45    50   0.04150 -1.0 2.0
   33    37    45    77   0.04150 -1.0 2.0
   33    40    46    47   0.30150 -1.0 2.0
   33    40    46    52   0.60050  1.0 1.0
   33    40    46    52   0.05600 -1.0 2.0
   33    40    46    52   0.26150  1.0 3.0
   33    42    48    49   0.30150 -1.0 2.0
   33    42    48    55   0.60050  1.0 1.0
   33    42    48    55   0.05600 -1.0 2.0
   33    42    48    55   0.26150  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46  -0.95700  1.0 1.0
   37    33    40    46  -0.18200 -1.0 2.0
   37    33    40    46   0.29450  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    48  -0.95700  1.0 1.0
   37    33    42    48  -0.18200 -1.0 2.0
   37    33    42    48   0.29450  1.0 3.0
   37    45    50    51   3.62500 -1.0 2.0
   37    45    50    58   3.62500 -1.0 2.0
   37    45    77    74   3.62500 -1.0 2.0
   37    45   -77    81   3.62500 -1.0 2.0
   38    37    45    50   0.00000  1.0 1.0
   38    37    45    77   0.00000  1.0 1.0
   39    37    45    50   0.00000  1.0 1.0
   39    37    45    77   0.00000  1.0 1.0
   45    50    58    63   3.62500 -1.0 2.0
   45    50    58    69   3.62500 -1.0 2.0
   45    77    81    82   0.00000  1.0 1.0
   45    77    81    40   0.04150 -1.0 2.0
   45    77    81    87   0.14300 -1.0 2.0
   45    77    81    87   0.00300  1.0 3.0
   50    45    77    74   3.62500 -1.0 2.0
   50    45    77    81   3.62500 -1.0 2.0
   50    58    63    64   3.62500 -1.0 2.0
   50    58   -63    74   3.62500 -1.0 2.0
   50    58    69    70   0.84100 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   51    50    58    69   3.62500 -1.0 2.0
   58    63    74    77   3.62500 -1.0 2.0
   58    63    74    78   3.62500 -1.0 2.0
   63    58    69    70   0.84100 -1.0 2.0
   63    74   -77    45   3.62500 -1.0 2.0
   63    74    77    81   3.62500 -1.0 2.0
   63    74    78    79   0.84100 -1.0 2.0
   64    63    74    77   3.62500 -1.0 2.0
   64    63    74    78   3.62500 -1.0 2.0
   74    77    81    82   0.00000  1.0 1.0
   74    77    81    40   0.04150 -1.0 2.0
   74    77    81    87   0.14300 -1.0 2.0
   74    77    81    87   0.00300  1.0 3.0
   77    45    50    51   3.62500 -1.0 2.0
   77    45   -50    58   3.62500 -1.0 2.0
   77    74    78    79   0.84100 -1.0 2.0
   77    81   -40    33  -0.03700  1.0 1.0
   77    81   -40    33   0.37200 -1.0 2.0
   77    81   -40    33  -0.47300  1.0 3.0
   77    81    40    41   0.43200  1.0 3.0
   77    81    40    46   0.56750  1.0 1.0
   77    81    40    46  -0.07550 -1.0 2.0
   77    81    40    46   0.20000  1.0 3.0
   77    81    87    88   0.31900  1.0 1.0
   77    81    87    88  -0.11800 -1.0 2.0
   77    81    87    88   0.38750  1.0 3.0
   81    40    46    47   0.30150 -1.0 2.0
   81    40    46    52   0.60050  1.0 1.0
   81    40    46    52   0.05600 -1.0 2.0
   81    40    46    52   0.26150  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    46  -0.11250  1.0 3.0
   82    81    87    88   0.19450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    45  -0.03700  1.0 1.0
   40    33   -37    45   0.37200 -1.0 2.0
   40    33   -37    45  -0.47300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    48  -0.95700  1.0 1.0
   40    33    42    48  -0.18200 -1.0 2.0
   40    33    42    48   0.29450  1.0 3.0
   40    81    87    88  -0.11600  1.0 1.0
   40    81    87    88  -0.09450 -1.0 2.0
   40    81    87    88   0.21250  1.0 3.0
   40    46    52    53   0.00000  1.0 1.0
   40    46    52    54   0.00000  1.0 1.0
   40    46    52    59   0.65300  1.0 1.0
   40    46    52    59  -0.03850 -1.0 2.0
   40    46    52    59   0.33900  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.00000  1.0 1.0
   46    52    59    60   0.30150 -1.0 2.0
   46    52    59    65   0.65300  1.0 1.0
   46    52    59    65  -0.03850 -1.0 2.0
   46    52    59    65   0.33900  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    54   0.00000  1.0 1.0
   47    46    52    59   0.30150 -1.0 2.0
   52    59    65    66   0.00000  1.0 1.0
   52    59    65    67   0.00000  1.0 1.0
   52    59    65    68   0.00000  1.0 1.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.00000  1.0 1.0
   54    52    59    60   0.00000  1.0 1.0
   54    52    59    65   0.00000  1.0 1.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.00000  1.0 1.0
   60    59    65    68   0.00000  1.0 1.0
   87    81    40    33   0.86500  1.0 1.0
   87    81    40    33  -0.17500 -1.0 2.0
   87    81    40    33   0.20800  1.0 3.0
   87    81    40    41   0.23400  1.0 3.0
   87    81    40    46  -0.09450  1.0 1.0
   87    81    40    46  -1.12950 -1.0 2.0
   87    81    40    46   0.54000  1.0 3.0
   78    74    77    45   3.62500 -1.0 2.0
   78    74    77    81   3.62500 -1.0 2.0
   69    58    63    64   3.62500 -1.0 2.0
   69    58    63    74   3.62500 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45  -0.03700  1.0 1.0
   42    33    37    45   0.37200 -1.0 2.0
   42    33    37    45  -0.47300  1.0 3.0
   42    33    40    81   0.56750  1.0 1.0
   42    33    40    81  -0.07550 -1.0 2.0
   42    33    40    81   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46  -0.95700  1.0 1.0
   42    33    40    46  -0.18200 -1.0 2.0
   42    33    40    46   0.29450  1.0 3.0
   42    48    55    56   0.00000  1.0 1.0
   42    48    55    57   0.00000  1.0 1.0
   42    48    55    61   0.65300  1.0 1.0
   42    48    55    61  -0.03850 -1.0 2.0
   42    48    55    61   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    55   0.00000  1.0 1.0
   44    42    48    49   0.00000  1.0 1.0
   44    42    48    55   0.00000  1.0 1.0
   48    55    61    62   0.30150 -1.0 2.0
   48    55    61    71   0.65300  1.0 1.0
   48    55    61    71  -0.03850 -1.0 2.0
   48    55    61    71   0.33900  1.0 3.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   49    48    55    61   0.30150 -1.0 2.0
   55    61    71    72   0.00000  1.0 1.0
   55    61    71    73   0.00000  1.0 1.0
   55    61    71    75   0.65300  1.0 1.0
   55    61    71    75  -0.03850 -1.0 2.0
   55    61    71    75   0.33900  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    71   0.00000  1.0 1.0
   57    55    61    62   0.00000  1.0 1.0
   57    55    61    71   0.00000  1.0 1.0
   61    71    75    76   0.30150 -1.0 2.0
   61    71    75    80   0.00000  1.0 1.0
   62    61    71    72   0.00000  1.0 1.0
   62    61    71    73   0.00000  1.0 1.0
   62    61    71    75   0.30150 -1.0 2.0
   71    75    80    83  -0.11550  1.0 1.0
   71    75    80    83   1.88700 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    80   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    80   0.00000  1.0 1.0
   75    80    83    84   0.24000  1.0 3.0
   75    80    83    85   0.24000  1.0 3.0
   75    80    83    86   0.24000  1.0 3.0
   76    75    80    83  -0.11550  1.0 1.0
   76    75    80    83   1.88700 -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
   36    30    34    35  10.50000 -1.0 2.0
   50    77    45    37   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   63    69    58    50   4.00000 -1.0 2.0
   74    64    63    58   1.10000 -1.0 2.0
   77    78    74    63   4.00000 -1.0 2.0
   74    81    77    45   4.00000 -1.0 2.0
   40    52    46    47  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   42    55    48    49  10.50000 -1.0 2.0
   55    71    61    62  10.50000 -1.0 2.0
   71    80    75    76  10.50000 -1.0 2.0
END
