* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    144    234     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02022    45.90623   104.83883
    3     1 S   H    _H1_     3     1.02110    66.82988  -101.09745
    4     1 S   H    _H2_     4     1.02058   104.98760     3.17983
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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   _C23    36     1.83687    98.15095   161.78860
   34    33 S   Br   BR37    37     1.98905   109.08921   176.56265
   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   _C20    38     1.53917   109.69603    60.00763
   39    38 S   Br   BR35    39     1.89077   116.95612    58.45792
   40    38 S   CM   _C17    40     1.34747   121.08451  -121.98549
   41    40 S   CM   _C16    41     1.44518   119.88269     2.61838
   42    41 S   CM   _C18    42     1.45170   123.73237    -6.92974
   43    42 S   Br   BR34    43     1.87888   118.69068  -173.20153
   44    41 S   CO4  _C19    46     1.47531   109.23726   169.12905
   45    44 S   O    _O21    47     1.21534   128.74873  -176.31294
   46    33 S   CM   _C21    44     1.54540   109.62642   -66.70794
   47    46 S   Br   BR36    45     1.90559   115.90012   -58.54660
   48    44 S   OS   _O26    48     1.36337   106.50817     2.05833
   49    40 S   CT   _C22    49     1.51877   133.56204   178.60717
   50    49 S   CA   _C10    50     1.53860   112.75649   -52.71762
   51    49 S   CA   _C11    66     1.53971   115.39149    82.42905
   52    50 S   CA   _C4_    51     1.39454   119.92054   105.29609
   53    52 S   HA   _H38    52     1.08654   120.52318     0.05234
   54    51 S   CA   _C5_    67     1.39499   119.97447   165.89496
   55    54 S   HA   _H39    68     1.08745   120.44639     0.02798
   56    52 S   CA   _C6_    53     1.39545   119.94125  -180.00000
   57    56 S   HA   _H40    54     1.08710   119.55269   179.96044
   58    54 S   CA   _C7_    69     1.39390   120.03382  -179.92087
   59    58 S   HA   _H41    70     1.08647   119.67269  -179.98022
   60    56 S   CA   _C12    55     1.39463   119.99804     0.04846
   61    58 S   CA   _C13    71     1.39562   119.99898    -0.05234
   62    60 S   CA   _C14    56     1.39415   120.02846    -0.07133
   63    60 S   OH   _O27    64     1.36312   118.95286   179.91607
   64    63 S   HO   _H44    65     0.96980   110.19031     0.00000
   65    61 S   CA   _C15    72     1.39499   119.96718     0.04423
   66    61 S   OH   _O28    80     1.36247   118.96952   179.93744
   67    66 S   HO   _H45    81     0.96948   110.25821     0.01978
   68    50 S   CA   _C8_    57     1.39463   120.01882   -74.65157
   69    68 S   HA   _H42    58     1.08732   119.84156    -0.11014
   70    62 S   SY   _S32    59     1.74952   120.89305   179.96044
   71    70 S   OY   _O22    60     1.45486   107.88599  -175.94802
   72    70 S   OY   _O23    61     1.45311   106.82341   -44.65956
   73    51 S   CA   _C9_    73     1.39557   120.05509   -14.01772
   74    73 S   HA   _H43    74     1.08730   119.74571    -0.13270
   75    65 S   SY   _S33    75     1.74937   120.84028   179.90935
   76    75 S   OY   _O24    76     1.45444   107.84726  -175.99503
   77    75 S   OY   _O25    77     1.45388   106.84159   -44.71611
   78    70 S   OS   _O29    62     1.63453   105.07854    70.10134
   79    78 S   HO   _H46    63     0.98616   115.26040  -173.83922
   80    75 S   OS   _O30    78     1.63468   105.09725    70.05004
   81    80 S   HO   _H47    79     0.98597   115.28742  -173.91163
  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   8   5   4   3
  10   6   2   1   1  11   4  14  10   7   3   6   2   1   1   7
  14  12  11   8   4   8   4   7   3   7   3   9   9   9   3   1
   9   3   1   5   1   4   3   2   5   1   4   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    49  
   38    39    40    42    46    47  
   36    37  
   37  
    0  
   39    40    41    42    46    47    44    48    49    50    51  
   40    41    46    49  
   41    42    43    46    44    45    48    49    50    52    68    51    54    73  
   42    43    46    47    44    45    48    49    50    51  
   43    46    47    44    45    48    49  
   46    47    44  
   45    48    49    50    51    46  
   48    49  
   47  
    0  
   49    50    52    68    51    54    73  
   50    52    53    56    62    68    69    51    54    55    58    65    73    74  
   52    53    56    57    60    62    68    69    70    51    54    73  
   54    55    58    59    61    65    73    74    75    52    68  
   53    56    57    60    62    68    69    63  
   56    57    60    68  
   55    58    59    61    65    73    74    66  
   58    59    61    73  
   57    60    62    68    70    63    64  
   60    62    63  
   59    61    65    73    75    66    67  
   61    65    66  
   62    68    69    70    71    72    78    63    64  
   65    73    74    75    76    77    80    66    67  
   68    69    70    71    72    78    79    63    64  
   64    68    70  
    0  
   73    74    75    76    77    80    81    66    67  
   67    73    75  
    0  
   69    70    71    72    78  
   70  
   71    72    78    79  
   72    78    79  
   78    79  
   74    75    76    77    80  
   75  
   76    77    80    81  
   77    80    81  
   80    81  
   79  
    0  
   81  
    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  -0.175000   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   0.211400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   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  -0.153833   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.333333   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.153833   2.0020   1.7750   0.023028004  -0.852763146
   47   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.402600   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   71   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   72   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.2500   1.302800   2.0025   1.7750   0.025682759  -1.666211680
   76   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   77   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.588100   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.431800   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   245.000  1.990
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   165.000  1.979
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    49   317.000  1.510
   41    42   380.000  1.444
   41    44   320.000  1.462
   42    43   165.000  1.979
   42    46   549.000  1.340
   46    47   165.000  1.979
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    49   320.000  1.410
   49    50   317.000  1.510
   49    51   317.000  1.510
   50    52   469.000  1.400
   50    68   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    68   469.000  1.400
   62    70   225.000  1.779
   68    69   367.000  1.080
   70    71   735.000  1.471
   70    72   735.000  1.471
   70    78   335.000  1.682
   78    79   553.000  0.945
   63    64   553.000  0.945
   51    54   469.000  1.400
   51    73   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    65   469.000  1.400
   61    66   450.000  1.364
   65    73   469.000  1.400
   65    75   225.000  1.779
   73    74   367.000  1.080
   75    76   735.000  1.471
   75    77   735.000  1.471
   75    80   335.000  1.682
   80    81   553.000  0.945
   66    67   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    65.00000  111.00000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    70.00000  111.14000
   33    38    40    70.00000  124.00000
   33    46    42    70.00000  124.00000
   33    46    47    70.00000  111.14000
   38    33    34    70.00000  109.00000
   38    40    41    70.00000  123.01800
   38    40    49    70.00000  124.00000
   40    38    39    65.00000  115.01300
   40    41    42    70.00000  123.01800
   40    41    44    65.00000  118.96000
   40    49    48    85.00000  110.90400
   40    49    50    70.00000  112.99600
   40    49    51    70.00000  112.99600
   41    42    43    65.00000  115.01300
   41    42    46    70.00000  123.01800
   41    44    45    80.00000  123.72100
   41    44    48    90.00000  111.29400
   42    46    47    65.00000  115.01300
   46    33    34    70.00000  109.00000
   46    33    38    70.00000  110.12100
   46    42    43    65.00000  115.01300
   44    41    42    65.00000  118.96000
   44    48    49    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    49    50    85.00000  111.85700
   48    49    51    85.00000  111.85700
   49    40    41    70.00000  124.00000
   49    50    52    70.00000  120.00000
   49    50    68    70.00000  120.00000
   49    51    54    70.00000  120.00000
   49    51    73    70.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    56    63.00000  120.00000
   50    68    62    63.00000  120.00000
   50    68    69    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    62    63.00000  120.00000
   56    60    63    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    68    63.00000  120.00000
   60    62    70    65.00000  117.06700
   60    63    64    35.00000  113.00000
   62    68    69    35.00000  120.00000
   62    70    71   100.00000  107.67100
   62    70    72   100.00000  107.67100
   62    70    78   115.00000   98.04500
   68    50    52    63.00000  120.00000
   70    62    68    65.00000  117.06700
   70    78    79    65.00000  110.03400
   72    70    71   115.00000  120.17200
   78    70    71   135.00000  106.70400
   78    70    72   135.00000  106.70400
   63    60    62    70.00000  120.00000
   51    49    50    70.00000  112.04700
   51    54    55    35.00000  120.00000
   51    54    58    63.00000  120.00000
   51    73    65    63.00000  120.00000
   51    73    74    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    65    63.00000  120.00000
   58    61    66    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    65    73    63.00000  120.00000
   61    65    75    65.00000  117.06700
   61    66    67    35.00000  113.00000
   65    73    74    35.00000  120.00000
   65    75    76   100.00000  107.67100
   65    75    77   100.00000  107.67100
   65    75    80   115.00000   98.04500
   73    51    54    63.00000  120.00000
   75    65    73    65.00000  117.06700
   75    80    81    65.00000  110.03400
   77    75    76   115.00000  120.17200
   80    75    76   135.00000  106.70400
   80    75    77   135.00000  106.70400
   66    61    65    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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    46    42   0.42700  1.0 1.0
   29    33    46    42  -0.70350 -1.0 2.0
   29    33    46    42  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    49   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    46    42   0.09700  1.0 1.0
   34    33    46    42   0.15600 -1.0 2.0
   34    33    46    42  -0.50800  1.0 3.0
   34    33    46    47   0.09700  1.0 1.0
   34    33    46    47   0.15600 -1.0 2.0
   34    33    46    47  -0.50800  1.0 3.0
   38    33    46    42  -0.28300  1.0 1.0
   38    33    46    42   0.26700 -1.0 2.0
   38    33    46    42  -0.63300  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40   -41    42   0.28850  1.0 1.0
   38    40   -41    42   2.61350 -1.0 2.0
   38    40   -41    42   0.78400  1.0 3.0
   38    40    41    44  -0.18600  1.0 3.0
   38    40    49    48   0.39000  1.0 1.0
   38    40    49    48  -0.05800 -1.0 2.0
   38    40    49    48  -0.55150  1.0 3.0
   38    40    49    50   1.44450  1.0 1.0
   38    40    49    50   0.06600 -1.0 2.0
   38    40    49    50   0.29250  1.0 3.0
   38    40    49    51   1.44450  1.0 1.0
   38    40    49    51   0.06600 -1.0 2.0
   38    40    49    51   0.29250  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    49   7.00000 -1.0 2.0
   40    41    42    43  -0.18600  1.0 3.0
   40    41    42    46   0.28850  1.0 1.0
   40    41    42    46   2.61350 -1.0 2.0
   40    41    42    46   0.78400  1.0 3.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41   -44    48  -0.56150  1.0 1.0
   40    41   -44    48   2.19150 -1.0 2.0
   40    49    50    52   0.18050 -1.0 2.0
   40    49    50    68   0.18050 -1.0 2.0
   40    49    51    54   0.18050 -1.0 2.0
   40    49    51    73   0.18050 -1.0 2.0
   41    40   -49    48   0.39000  1.0 1.0
   41    40   -49    48  -0.05800 -1.0 2.0
   41    40   -49    48  -0.55150  1.0 3.0
   41    40    49    50   1.44450  1.0 1.0
   41    40    49    50   0.06600 -1.0 2.0
   41    40    49    50   0.29250  1.0 3.0
   41    40    49    51   1.44450  1.0 1.0
   41    40    49    51   0.06600 -1.0 2.0
   41    40    49    51   0.29250  1.0 3.0
   41    42   -46    33   7.00000 -1.0 2.0
   41    42    46    47   7.00000 -1.0 2.0
   41    44   -48    49   2.00000 -1.0 2.0
   42    41    44    45   1.00000 -1.0 2.0
   42    41    44    48  -0.56150  1.0 1.0
   42    41    44    48   2.19150 -1.0 2.0
   43    42    46    33   7.00000 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   46    33    38    39   0.09700  1.0 1.0
   46    33    38    39   0.15600 -1.0 2.0
   46    33    38    39  -0.50800  1.0 3.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   44    41    42    43   1.08500 -1.0 2.0
   44    41    42    46  -0.18600  1.0 3.0
   44    48   -49    40  -0.82050  1.0 1.0
   44    48   -49    40   0.00600 -1.0 2.0
   44    48   -49    40   0.04400  1.0 3.0
   44    48    49    50  -0.43900 -1.0 2.0
   44    48    49    50   0.14100  1.0 3.0
   44    48    49    51  -0.43900 -1.0 2.0
   44    48    49    51   0.14100  1.0 3.0
   45    44    48    49   3.00000 -1.0 2.0
   48    49    50    52   0.64500  1.0 1.0
   48    49    50    52   0.14800 -1.0 2.0
   48    49    50    52   0.20650  1.0 3.0
   48    49    50    68   0.64500  1.0 1.0
   48    49    50    68   0.14800 -1.0 2.0
   48    49    50    68   0.20650  1.0 3.0
   48    49    51    54   0.64500  1.0 1.0
   48    49    51    54   0.14800 -1.0 2.0
   48    49    51    54   0.20650  1.0 3.0
   48    49    51    73   0.64500  1.0 1.0
   48    49    51    73   0.14800 -1.0 2.0
   48    49    51    73   0.20650  1.0 3.0
   49    40    41    42  -0.18600  1.0 3.0
   49    40   -41    44   1.08500 -1.0 2.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    56   3.62500 -1.0 2.0
   49    50    68    62   3.62500 -1.0 2.0
   49    50    68    69   3.62500 -1.0 2.0
   49    51    54    55   3.62500 -1.0 2.0
   49    51    54    58   3.62500 -1.0 2.0
   49    51    73    65   3.62500 -1.0 2.0
   49    51    73    74   3.62500 -1.0 2.0
   50    49    51    54   0.04300 -1.0 2.0
   50    49    51    73   0.04300 -1.0 2.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    60   3.62500 -1.0 2.0
   52    50    68    62   3.62500 -1.0 2.0
   52    50    68    69   3.62500 -1.0 2.0
   52    56   -60    62   3.62500 -1.0 2.0
   52    56    60    63   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   56    60    62    70   3.62500 -1.0 2.0
   56    60    63    64   0.84100 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    62   -68    50   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    70    71   0.19500  1.0 1.0
   60    62    70    71   0.12000 -1.0 2.0
   60    62    70    72   0.19500  1.0 1.0
   60    62    70    72   0.12000 -1.0 2.0
   60    62    70    78   0.00000  1.0 1.0
   62    60    63    64   0.84100 -1.0 2.0
   62    70    78    79   0.00000  1.0 1.0
   68    50    52    53   3.62500 -1.0 2.0
   68    50   -52    56   3.62500 -1.0 2.0
   68    62    70    71   0.19500  1.0 1.0
   68    62    70    71   0.12000 -1.0 2.0
   68    62    70    72   0.19500  1.0 1.0
   68    62    70    72   0.12000 -1.0 2.0
   68    62    70    78   0.00000  1.0 1.0
   70    62    68    50   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   71    70    78    79   0.67600  1.0 1.0
   71    70    78    79   0.52900 -1.0 2.0
   71    70    78    79   0.12800  1.0 3.0
   72    70    78    79   0.67600  1.0 1.0
   72    70    78    79   0.52900 -1.0 2.0
   72    70    78    79   0.12800  1.0 3.0
   63    60    62    68   3.62500 -1.0 2.0
   63    60    62    70   3.62500 -1.0 2.0
   51    49    50    52   0.04300 -1.0 2.0
   51    49    50    68   0.04300 -1.0 2.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54    58    61   3.62500 -1.0 2.0
   54    51    73    65   3.62500 -1.0 2.0
   54    51    73    74   3.62500 -1.0 2.0
   54    58   -61    65   3.62500 -1.0 2.0
   54    58    61    66   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61    65    73   3.62500 -1.0 2.0
   58    61    65    75   3.62500 -1.0 2.0
   58    61    66    67   0.84100 -1.0 2.0
   59    58    61    65   3.62500 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   61    65   -73    51   3.62500 -1.0 2.0
   61    65    73    74   3.62500 -1.0 2.0
   61    65    75    76   0.19500  1.0 1.0
   61    65    75    76   0.12000 -1.0 2.0
   61    65    75    77   0.19500  1.0 1.0
   61    65    75    77   0.12000 -1.0 2.0
   61    65    75    80   0.00000  1.0 1.0
   65    61    66    67   0.84100 -1.0 2.0
   65    75    80    81   0.00000  1.0 1.0
   73    51    54    55   3.62500 -1.0 2.0
   73    51   -54    58   3.62500 -1.0 2.0
   73    65    75    76   0.19500  1.0 1.0
   73    65    75    76   0.12000 -1.0 2.0
   73    65    75    77   0.19500  1.0 1.0
   73    65    75    77   0.12000 -1.0 2.0
   73    65    75    80   0.00000  1.0 1.0
   75    65    73    51   3.62500 -1.0 2.0
   75    65    73    74   3.62500 -1.0 2.0
   76    75    80    81   0.67600  1.0 1.0
   76    75    80    81   0.52900 -1.0 2.0
   76    75    80    81   0.12800  1.0 3.0
   77    75    80    81   0.67600  1.0 1.0
   77    75    80    81   0.52900 -1.0 2.0
   77    75    80    81   0.12800  1.0 3.0
   66    61    65    73   3.62500 -1.0 2.0
   66    61    65    75   3.62500 -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
   41    49    40    38   1.10000 -1.0 2.0
   41    43    42    46   1.10000 -1.0 2.0
   33    47    46    42   1.10000 -1.0 2.0
   41    48    44    45  10.50000 -1.0 2.0
   52    68    50    49   4.00000 -1.0 2.0
   56    53    52    50   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   62    63    60    56   4.00000 -1.0 2.0
   68    70    62    60   4.00000 -1.0 2.0
   62    69    68    50   1.10000 -1.0 2.0
   54    73    51    49   4.00000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   65    66    61    58   4.00000 -1.0 2.0
   73    75    65    61   4.00000 -1.0 2.0
   65    74    73    51   1.10000 -1.0 2.0
END
