* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    251     454
    1     0 S   NP   _N1_     1    29.33290    93.20713   -23.71937
    2     1 S   H    _HN1     2     1.02958    89.01493    25.15778
    3     1 S   H    _H1_     3     1.02822    20.03956   179.82983
    4     1 S   H    _H2_     4     1.02776   106.77554   -83.72054
    5     1 S   CT   _CA1     5     1.50144   126.96287   140.11505
    6     5 S   HC   _HA1     6     1.09576   105.19294    72.76520
    7     5 S   CO3  _C1_     7     1.53798   112.43744   -47.34373
    8     7 S   O2Z  _O11     8     1.26364   115.02311   -41.58634
    9     7 S   O2Z  _O12     9     1.26249   114.94677   137.45692
   10     5 S   CT   _CB1    10     1.53065   107.35606  -169.36004
   11    10 S   HC   HB11    11     1.09825   109.27060   -50.45051
   12    10 S   HC   HB12    12     1.09822   110.42824    66.08048
   13    10 S   CT   _CG1    13     1.52984   112.72170  -171.57317
   14    13 S   HC   HG11    14     1.09592   110.40909   -64.87162
   15    13 S   HC   HG12    15     1.09653   110.04281    54.40944
   16    13 S   C    _CD1    16     1.51763   112.24501   174.63860
   17    16 S   O    _OE1    17     1.22737   123.28420    -3.15362
   18    16 S   N    _N2_    18     1.38688   111.68793   177.13365
   19    18 S   H    _HN2    19     1.01590   119.11415     1.45226
   20    18 S   CT1  _CA2    20     1.46039   123.10934   179.83214
   21    20 S   HC   _HA2    21     1.09413   109.06482    -6.92152
   22    20 S   C    _C2_    22     1.53416   108.98450  -121.94603
   23    22 S   O    _O2_    23     1.23056   122.20631  -150.30308
   24    20 S   CT   _CB2    32     1.53383   111.89772   115.34455
   25    24 S   HC   HB21    33     1.09677   109.30387    64.54072
   26    24 S   HC   HB22    34     1.09492   111.01440  -178.66177
   27    22 S   N    _N3_    24     1.38325   113.64879    37.15164
   28    27 S   H    _HN3    25     1.01633   119.48735    -3.29105
   29    24 S   S    _SG2    35     1.82983   114.89788   -54.59066
   30    27 S   CT   _CA3    26     1.45290   123.13300   176.98104
   31    30 S   HC   HA31    27     1.09550   107.49431   -64.96356
   32    30 S   HC   HA32    28     1.09560   107.97834    51.44188
   33    29 S   CT   _C12    36     1.83374   101.12672   -67.21541
   34    33 S   HC   _H7_    37     1.08824   106.49739    52.51256
   35    30 S   CO3  _C3_    29     1.52938   114.16196   173.50665
   36    35 S   O2Z  _O31    30     1.26362   116.07324     0.75615
   37    35 S   O2Z  _O32    31     1.26438   114.41090  -179.18627
   38    33 S   CT   _C11    38     1.53050   112.24818   -70.17985
   39    38 S   HC   _H11    39     1.09900   110.83128   -44.44697
   40    38 S   HC   _H12    40     1.09531   112.73309    74.80216
   41    38 S   CT   _C10    41     1.54839   105.48937  -162.91414
   42    41 S   CT   _C9_    42     1.55648   113.21032   -92.52783
   43    42 S   HC   _H6_    43     1.09523   112.27189   -73.99075
   44    41 S   CT   _C5_    64     1.57091   103.26155    34.11592
   45    41 S   OH   _O36    75     1.43194   106.63732   151.01798
   46    45 S   HO   _H14    76     0.97261   108.25308    58.45178
   47    42 S   CO4  _C15    44     1.50855   110.79957    48.57798
   48    47 S   O    _O37    45     1.21906   126.70459   -94.89805
   49    33 S   CT   _C13    65     1.53439   114.30710   172.94962
   50    44 S   CT   _C4_    71     1.55059   113.13778   104.18437
   51    50 S   HC   _H8_    72     1.09634   111.37946   -56.06801
   52    50 S   HC   _H9_    73     1.09672   111.12538  -176.34907
   53    50 S   HC   _H10    74     1.09008   112.97535    64.02151
   54    47 S   OS   _O38    46     1.37163   107.75216    83.79269
   55    49 S   CO4  _C14    66     1.50684   114.39114   -93.60427
   56    55 S   O    _O33    67     1.22247   125.28710    66.95950
   57    49 S   OH   _O35    69     1.42134   111.71171    27.86422
   58    57 S   HO   _H13    70     0.97395   107.42734   -53.50541
   59    54 S   CT   _C7_    47     1.44794   108.05905     7.94431
   60    59 S   HC   _H4_    48     1.09468   106.87205   143.97786
   61    64 S   OS   _O34    68     1.43873   107.97414   -53.09681
   62    42 S   CT   _C8_    49     1.53486   116.40116   157.43082
   63    62 S   HC   _H5_    50     1.10521   106.05995  -176.26047
   64    59 S   CT   _C6_    62     1.53707   109.75884   -95.64359
   65    64 S   HC   _H3_    63     1.09623   107.67103  -167.53758
   66    62 S   CT   _C16    51     1.54097   121.28235    65.11308
   67    66 S   CT   _C17    52     1.53554   110.11357   177.57432
   68    67 S   HC   _H15    53     1.09640   110.90471  -178.28035
   69    67 S   HC   _H16    54     1.09555   111.10311    64.09206
   70    67 S   HC   _H17    55     1.09488   111.74880   -57.46665
   71    66 S   CT   _C18    56     1.53428   110.53541    56.69953
   72    71 S   HC   _H18    57     1.09635   110.92066   177.42207
   73    71 S   HC   _H19    58     1.09491   111.27967   -64.87900
   74    71 S   HC   _H20    59     1.09490   111.65714    56.67294
   75    66 S   OH   _O39    60     1.41442   111.97448   -63.60087
   76    75 S   HO   _H21    61     0.97252   108.67702   177.10078
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  22  18   9  19   6   1   8   3
  12   9   3   2   1   8   7   3   3   1  10   6   3  14   5   2
   1  10   9   4   3   2   5   3   2   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    40    41    44    49    55    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    64    44    49    55    56    61    57    58    50    45  
   38    39    40    41    44    49    55    57  
   36    37  
   37  
    0  
   39    40    41    42    43    47    62    64    44    49    55    57    50    45    46  
   40    41    42    44    49    45  
   41    42    44    49    45  
   42    43    47    48    54    59    62    63    66    64    65    44    49    55    61    57    50    51    52    53    45    46  
   43    47    48    54    59    60    62    63    66    67    71    75    64    44    49    50    45    46  
   47    48    54    59    62    63    66    44    45  
   49    55    56    61    57    58    50    51    52    53    45    46    47    54    59    60    62    64    65  
   46    47    49    50    62    64  
    0  
   48    54    59    60    62    63    66    64  
   54    59    62  
   55    56    61    57    58    50    51    52    53    59    64    65  
   51    52    53    55    57    59    61    64    65  
   52    53    64  
   53    64  
   64  
   59    60    62    63    66    64    65    61  
   56    61    57    58    59    64    65  
   61    57    64  
   58    61    64  
    0  
   60    62    63    66    67    71    75    64    65    61  
   62    63    66    64    65    61  
   62    64    65  
   63    66    67    68    69    70    71    72    73    74    75    76    64    65  
   66    67    71    75    64  
   65    66  
    0  
   67    68    69    70    71    72    73    74    75    76  
   68    69    70    71    72    73    74    75    76  
   69    70    71    75  
   70    71    75  
   71    75  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   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   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    45   320.000  1.410
   42    43   340.000  1.090
   42    47   317.000  1.522
   42    62   268.000  1.529
   47    48   570.000  1.229
   47    54   214.000  1.327
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   268.000  1.529
   62    63   340.000  1.090
   62    66   268.000  1.529
   66    67   268.000  1.529
   66    71   268.000  1.529
   66    75   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   64    65   340.000  1.090
   64    44   268.000  1.529
   64    61   320.000  1.410
   44    49   268.000  1.529
   44    50   268.000  1.529
   49    55   317.000  1.522
   49    57   320.000  1.410
   55    56   570.000  1.229
   55    61   214.000  1.327
   57    58   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   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  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    44    58.35000  112.70000
   33    49    55    63.00000  111.10000
   33    49    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    45    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    47    63.00000  111.10000
   41    42    62    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    49    58.35000  112.70000
   41    44    50    58.35000  112.70000
   41    45    46    55.00000  108.50000
   42    47    48    80.00000  120.40000
   42    47    54    81.00000  111.40000
   42    62    59    58.35000  112.70000
   42    62    63    37.50000  110.70000
   42    62    66    58.35000  112.70000
   47    42    43    35.00000  109.50000
   47    54    59    83.00000  116.90000
   54    47    48    83.00000  123.40000
   54    59    60    35.00000  109.50000
   54    59    62    50.00000  109.50000
   54    59    64    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    66    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    44    58.35000  112.70000
   59    64    61    50.00000  109.50000
   62    42    43    37.50000  110.70000
   62    42    47    63.00000  111.10000
   62    59    60    37.50000  110.70000
   62    66    67    58.35000  112.70000
   62    66    71    58.35000  112.70000
   62    66    75    50.00000  109.50000
   66    62    63    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    70    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   66    75    76    55.00000  108.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    66    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    67    50.00000  109.50000
   75    66    71    50.00000  109.50000
   64    59    60    37.50000  110.70000
   64    59    62    58.35000  112.70000
   64    44    49    58.35000  112.70000
   64    44    50    58.35000  112.70000
   64    61    55    83.00000  116.90000
   44    41    42    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    49    55    63.00000  111.10000
   44    49    57    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    55    56    80.00000  120.40000
   49    55    61    81.00000  111.40000
   49    57    58    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    44    50.00000  109.50000
   61    55    56    83.00000  123.40000
   57    49    55    90.00000  109.61100
   50    44    49    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    41    42    50.00000  109.50000
   45    41    44    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    44   0.44750  1.0 1.0
   29    33    49    44  -0.17800 -1.0 2.0
   29    33    49    44   0.20200  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
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38    41    42   0.56750  1.0 1.0
   33    38    41    42  -0.07550 -1.0 2.0
   33    38    41    42   0.20000  1.0 3.0
   33    38   -41    44   0.56750  1.0 1.0
   33    38   -41    44  -0.07550 -1.0 2.0
   33    38   -41    44   0.20000  1.0 3.0
   33    38    41    45   0.86500  1.0 1.0
   33    38    41    45  -0.17500 -1.0 2.0
   33    38    41    45   0.20800  1.0 3.0
   33    49    55    56   0.30150 -1.0 2.0
   33    49    55    61   0.36750  1.0 3.0
   33    49    57    58  -0.11600  1.0 1.0
   33    49    57    58  -0.09450 -1.0 2.0
   33    49    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    44   0.15000  1.0 3.0
   34    33    49    55  -0.11250  1.0 3.0
   34    33    49    57   0.23400  1.0 3.0
   38    33   -49    44   0.56750  1.0 1.0
   38    33   -49    44  -0.07550 -1.0 2.0
   38    33   -49    44   0.20000  1.0 3.0
   38    33    49    55  -0.95700  1.0 1.0
   38    33    49    55  -0.18200 -1.0 2.0
   38    33    49    55   0.29450  1.0 3.0
   38    33    49    57   0.86500  1.0 1.0
   38    33    49    57  -0.17500 -1.0 2.0
   38    33    49    57   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    47  -0.95700  1.0 1.0
   38    41    42    47  -0.18200 -1.0 2.0
   38    41    42    47   0.29450  1.0 3.0
   38    41    42    62   0.56750  1.0 1.0
   38    41    42    62  -0.07550 -1.0 2.0
   38    41    42    62   0.20000  1.0 3.0
   38    41    44    64   0.56750  1.0 1.0
   38    41    44    64  -0.07550 -1.0 2.0
   38    41    44    64   0.20000  1.0 3.0
   38    41   -44    49   0.56750  1.0 1.0
   38    41   -44    49  -0.07550 -1.0 2.0
   38    41   -44    49   0.20000  1.0 3.0
   38    41    44    50   0.56750  1.0 1.0
   38    41    44    50  -0.07550 -1.0 2.0
   38    41    44    50   0.20000  1.0 3.0
   38    41    45    46  -0.11600  1.0 1.0
   38    41    45    46  -0.09450 -1.0 2.0
   38    41    45    46   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    45   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    45   0.23400  1.0 3.0
   41    42    47    48   0.30150 -1.0 2.0
   41    42    47    54   0.36750  1.0 3.0
   41    42    62    59   0.56750  1.0 1.0
   41    42    62    59  -0.07550 -1.0 2.0
   41    42    62    59   0.20000  1.0 3.0
   41    42    62    63   0.15000  1.0 3.0
   41    42    62    66   0.56750  1.0 1.0
   41    42    62    66  -0.07550 -1.0 2.0
   41    42    62    66   0.20000  1.0 3.0
   41    44   -49    33   0.56750  1.0 1.0
   41    44   -49    33  -0.07550 -1.0 2.0
   41    44   -49    33   0.20000  1.0 3.0
   41    44    49    55  -0.95700  1.0 1.0
   41    44    49    55  -0.18200 -1.0 2.0
   41    44    49    55   0.29450  1.0 3.0
   41    44    49    57   0.86500  1.0 1.0
   41    44    49    57  -0.17500 -1.0 2.0
   41    44    49    57   0.20800  1.0 3.0
   41    44    50    51   0.15000  1.0 3.0
   41    44    50    52   0.15000  1.0 3.0
   41    44    50    53   0.15000  1.0 3.0
   42    41    44    64   0.56750  1.0 1.0
   42    41    44    64  -0.07550 -1.0 2.0
   42    41    44    64   0.20000  1.0 3.0
   42    41    44    49   0.56750  1.0 1.0
   42    41    44    49  -0.07550 -1.0 2.0
   42    41    44    49   0.20000  1.0 3.0
   42    41    44    50   0.56750  1.0 1.0
   42    41    44    50  -0.07550 -1.0 2.0
   42    41    44    50   0.20000  1.0 3.0
   42    41    45    46  -0.11600  1.0 1.0
   42    41    45    46  -0.09450 -1.0 2.0
   42    41    45    46   0.21250  1.0 3.0
   42    47   -54    59   1.63150  1.0 1.0
   42    47   -54    59   2.92000 -1.0 2.0
   42    62    66    67   0.56750  1.0 1.0
   42    62    66    67  -0.07550 -1.0 2.0
   42    62    66    67   0.20000  1.0 3.0
   42    62    66    71   0.56750  1.0 1.0
   42    62    66    71  -0.07550 -1.0 2.0
   42    62    66    71   0.20000  1.0 3.0
   42    62    66    75   0.86500  1.0 1.0
   42    62    66    75  -0.17500 -1.0 2.0
   42    62    66    75   0.20800  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    54   0.00000  1.0 1.0
   43    42    62    59   0.15000  1.0 3.0
   43    42    62    63   0.15000  1.0 3.0
   43    42    62    66   0.15000  1.0 3.0
   47    42   -62    59  -0.95700  1.0 1.0
   47    42   -62    59  -0.18200 -1.0 2.0
   47    42   -62    59   0.29450  1.0 3.0
   47    42    62    63  -0.11250  1.0 3.0
   47    42    62    66  -0.95700  1.0 1.0
   47    42    62    66  -0.18200 -1.0 2.0
   47    42    62    66   0.29450  1.0 3.0
   47    54    59    60   0.08050  1.0 3.0
   47    54   -59    62  -0.25900  1.0 1.0
   47    54   -59    62  -0.47000 -1.0 2.0
   47    54   -59    62   0.11750  1.0 3.0
   47    54    59    64  -0.25900  1.0 1.0
   47    54    59    64  -0.47000 -1.0 2.0
   47    54    59    64   0.11750  1.0 3.0
   48    47    54    59   3.00000 -1.0 2.0
   54    59   -62    42   0.62750  1.0 1.0
   54    59   -62    42  -0.30950 -1.0 2.0
   54    59   -62    42   0.27300  1.0 3.0
   54    59    62    63   0.23400  1.0 3.0
   54    59    62    66   0.62750  1.0 1.0
   54    59    62    66  -0.30950 -1.0 2.0
   54    59    62    66   0.27300  1.0 3.0
   54    59    64    65   0.23400  1.0 3.0
   54    59    64    44   0.62750  1.0 1.0
   54    59    64    44  -0.30950 -1.0 2.0
   54    59    64    44   0.27300  1.0 3.0
   54    59    64    61   1.11900  1.0 1.0
   54    59    64    61  -1.16350 -1.0 2.0
   54    59    64    61  -0.34150  1.0 3.0
   59    62    66    67   0.56750  1.0 1.0
   59    62    66    67  -0.07550 -1.0 2.0
   59    62    66    67   0.20000  1.0 3.0
   59    62    66    71   0.56750  1.0 1.0
   59    62    66    71  -0.07550 -1.0 2.0
   59    62    66    71   0.20000  1.0 3.0
   59    62    66    75   0.86500  1.0 1.0
   59    62    66    75  -0.17500 -1.0 2.0
   59    62    66    75   0.20800  1.0 3.0
   59    64   -44    41   0.56750  1.0 1.0
   59    64   -44    41  -0.07550 -1.0 2.0
   59    64   -44    41   0.20000  1.0 3.0
   59    64    44    49   0.56750  1.0 1.0
   59    64    44    49  -0.07550 -1.0 2.0
   59    64    44    49   0.20000  1.0 3.0
   59    64    44    50   0.56750  1.0 1.0
   59    64    44    50  -0.07550 -1.0 2.0
   59    64    44    50   0.20000  1.0 3.0
   59    64    61    55  -0.25900  1.0 1.0
   59    64    61    55  -0.47000 -1.0 2.0
   59    64    61    55   0.11750  1.0 3.0
   60    59    62    42   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    44   0.15000  1.0 3.0
   60    59    64    61   0.23400  1.0 3.0
   62    42    47    48   0.30150 -1.0 2.0
   62    42   -47    54   0.36750  1.0 3.0
   62    59    64    65   0.15000  1.0 3.0
   62    59    64    44   0.56750  1.0 1.0
   62    59    64    44  -0.07550 -1.0 2.0
   62    59    64    44   0.20000  1.0 3.0
   62    59    64    61   0.62750  1.0 1.0
   62    59    64    61  -0.30950 -1.0 2.0
   62    59    64    61   0.27300  1.0 3.0
   62    66    67    68   0.15000  1.0 3.0
   62    66    67    69   0.15000  1.0 3.0
   62    66    67    70   0.15000  1.0 3.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   62    66    75    76  -0.11600  1.0 1.0
   62    66    75    76  -0.09450 -1.0 2.0
   62    66    75    76   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    71   0.15000  1.0 3.0
   63    62    66    75   0.23400  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   67    66    75    76  -0.11600  1.0 1.0
   67    66    75    76  -0.09450 -1.0 2.0
   67    66    75    76   0.21250  1.0 3.0
   71    66    67    68   0.15000  1.0 3.0
   71    66    67    69   0.15000  1.0 3.0
   71    66    67    70   0.15000  1.0 3.0
   71    66    75    76  -0.11600  1.0 1.0
   71    66    75    76  -0.09450 -1.0 2.0
   71    66    75    76   0.21250  1.0 3.0
   75    66    67    68   0.23400  1.0 3.0
   75    66    67    69   0.23400  1.0 3.0
   75    66    67    70   0.23400  1.0 3.0
   75    66    71    72   0.23400  1.0 3.0
   75    66    71    73   0.23400  1.0 3.0
   75    66    71    74   0.23400  1.0 3.0
   64    59   -62    42   0.56750  1.0 1.0
   64    59   -62    42  -0.07550 -1.0 2.0
   64    59   -62    42   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    66   0.56750  1.0 1.0
   64    59    62    66  -0.07550 -1.0 2.0
   64    59    62    66   0.20000  1.0 3.0
   64    44    49    33   0.56750  1.0 1.0
   64    44    49    33  -0.07550 -1.0 2.0
   64    44    49    33   0.20000  1.0 3.0
   64    44   -49    55  -0.95700  1.0 1.0
   64    44   -49    55  -0.18200 -1.0 2.0
   64    44   -49    55   0.29450  1.0 3.0
   64    44    49    57   0.86500  1.0 1.0
   64    44    49    57  -0.17500 -1.0 2.0
   64    44    49    57   0.20800  1.0 3.0
   64    44    50    51   0.15000  1.0 3.0
   64    44    50    52   0.15000  1.0 3.0
   64    44    50    53   0.15000  1.0 3.0
   65    64    44    41   0.15000  1.0 3.0
   65    64    44    49   0.15000  1.0 3.0
   65    64    44    50   0.15000  1.0 3.0
   65    64    61    55   0.08050  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    47  -0.95700  1.0 1.0
   44    41    42    47  -0.18200 -1.0 2.0
   44    41    42    47   0.29450  1.0 3.0
   44    41   -42    62   0.56750  1.0 1.0
   44    41   -42    62  -0.07550 -1.0 2.0
   44    41   -42    62   0.20000  1.0 3.0
   44    41    45    46  -0.11600  1.0 1.0
   44    41    45    46  -0.09450 -1.0 2.0
   44    41    45    46   0.21250  1.0 3.0
   44    64   -61    55  -0.25900  1.0 1.0
   44    64   -61    55  -0.47000 -1.0 2.0
   44    64   -61    55   0.11750  1.0 3.0
   44    49    55    56   0.30150 -1.0 2.0
   44    49   -55    61   0.36750  1.0 3.0
   44    49    57    58  -0.11600  1.0 1.0
   44    49    57    58  -0.09450 -1.0 2.0
   44    49    57    58   0.21250  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    44    50    51   0.15000  1.0 3.0
   49    44    50    52   0.15000  1.0 3.0
   49    44    50    53   0.15000  1.0 3.0
   49    55   -61    64   1.63150  1.0 1.0
   49    55   -61    64   2.92000 -1.0 2.0
   55    49    57    58   0.91850  1.0 1.0
   55    49    57    58   0.57950  1.0 3.0
   56    55    61    64   3.00000 -1.0 2.0
   61    64    44    41   0.62750  1.0 1.0
   61    64    44    41  -0.30950 -1.0 2.0
   61    64    44    41   0.27300  1.0 3.0
   61    64   -44    49   0.62750  1.0 1.0
   61    64   -44    49  -0.30950 -1.0 2.0
   61    64   -44    49   0.27300  1.0 3.0
   61    64    44    50   0.62750  1.0 1.0
   61    64    44    50  -0.30950 -1.0 2.0
   61    64    44    50   0.27300  1.0 3.0
   57    49    55    56   0.30150 -1.0 2.0
   57    49    55    61   0.30750  1.0 1.0
   57    49    55    61   1.13850 -1.0 2.0
   57    49    55    61   0.38850  1.0 3.0
   50    44    49    33   0.56750  1.0 1.0
   50    44    49    33  -0.07550 -1.0 2.0
   50    44    49    33   0.20000  1.0 3.0
   50    44    49    55  -0.95700  1.0 1.0
   50    44    49    55  -0.18200 -1.0 2.0
   50    44    49    55   0.29450  1.0 3.0
   50    44    49    57   0.86500  1.0 1.0
   50    44    49    57  -0.17500 -1.0 2.0
   50    44    49    57   0.20800  1.0 3.0
   45    41    42    43   0.23400  1.0 3.0
   45    41    42    47  -0.09450  1.0 1.0
   45    41    42    47  -1.12950 -1.0 2.0
   45    41    42    47   0.54000  1.0 3.0
   45    41    42    62   0.86500  1.0 1.0
   45    41    42    62  -0.17500 -1.0 2.0
   45    41    42    62   0.20800  1.0 3.0
   45    41    44    64   0.86500  1.0 1.0
   45    41    44    64  -0.17500 -1.0 2.0
   45    41    44    64   0.20800  1.0 3.0
   45    41    44    49   0.86500  1.0 1.0
   45    41    44    49  -0.17500 -1.0 2.0
   45    41    44    49   0.20800  1.0 3.0
   45    41    44    50   0.86500  1.0 1.0
   45    41    44    50  -0.17500 -1.0 2.0
   45    41    44    50   0.20800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   42    54    47    48  10.50000 -1.0 2.0
   49    61    55    56  10.50000 -1.0 2.0
END
