* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    185     348
    1     0 S   NP   _N1_     1    28.56975    96.98868   -22.24778
    2     1 S   H    _HN1     2     1.02778    95.87025   -78.86864
    3     1 S   H    _H1_     3     1.02959    70.39634    28.53847
    4     1 S   H    _H2_     4     1.02835    44.84427   171.56492
    5     1 S   CT   _CA1     5     1.50126   148.95109   125.70886
    6     5 S   HC   _HA1     6     1.09576   105.20808    91.87456
    7     5 S   CO3  _C1_     7     1.53773   112.44826   -28.29014
    8     7 S   O2Z  _O11     8     1.26358   114.99589   -42.32134
    9     7 S   O2Z  _O12     9     1.26241   114.92388   136.84431
   10     5 S   CT   _CB1    10     1.53095   107.42280  -150.22217
   11    10 S   HC   HB11    11     1.09826   109.26774   -50.79109
   12    10 S   HC   HB12    12     1.09817   110.43206    65.74404
   13    10 S   CT   _CG1    13     1.53016   112.71234  -171.89853
   14    13 S   HC   HG11    14     1.09593   110.47160   -65.26392
   15    13 S   HC   HG12    15     1.09660   109.93475    53.96178
   16    13 S   C    _CD1    16     1.51828   112.33839   174.27854
   17    16 S   O    _OE1    17     1.22719   123.26186     0.01978
   18    16 S   N    _N2_    18     1.38642   111.64517  -179.67434
   19    18 S   H    _HN2    19     1.01575   118.99341     1.33998
   20    18 S   CT1  _CA2    20     1.46173   123.41640   178.94168
   21    20 S   HC   _HA2    21     1.09740   109.41985    -1.58029
   22    20 S   C    _C2_    22     1.53515   108.50885  -117.11376
   23    22 S   O    _O2_    23     1.23038   122.19228  -145.06036
   24    20 S   CT   _CB2    32     1.53343   111.58086   120.42768
   25    24 S   HC   HB21    33     1.09589   110.18367    55.44336
   26    24 S   HC   HB22    34     1.09451   109.81185   174.49049
   27    22 S   N    _N3_    24     1.38488   113.53978    42.31771
   28    27 S   H    _HN3    25     1.01490   119.01018    -0.48819
   29    24 S   S    _SG2    35     1.82754   111.69031   -65.64229
   30    27 S   CT   _CA3    26     1.45455   123.44352   175.04757
   31    30 S   HC   HA31    27     1.09520   109.29408    24.02601
   32    30 S   HC   HA32    28     1.09497   107.12615   141.04014
   33    29 S   CT   _C17    36     1.82216    99.60039   174.09170
   34    33 S   HC   _H3_    37     1.09534   108.69094   -54.53769
   35    30 S   CO3  _C3_    29     1.52915   112.99698   -99.47714
   36    35 S   O2Z  _O31    30     1.26410   115.34235   -46.13572
   37    35 S   O2Z  _O32    31     1.26347   115.02465   134.75438
   38    33 S   CO4  _C15    38     1.50520   110.87506    63.88976
   39    38 S   O    _O18    39     1.22659   121.93260  -106.50512
   40    38 S   CA   _C11    40     1.48211   116.30947    74.81868
   41    40 S   CA   _C8_    41     1.43113   121.67226  -144.95903
   42    40 S   CA   _C10    53     1.41021   115.36020    34.47566
   43    41 S   CA   _C5_    42     1.41960   124.61260     3.66089
   44    43 S   HA   _H24    43     1.08689   121.11036     0.87982
   45    42 S   CMA  _C14    54     1.52100   122.97153    -0.21761
   46    45 S   OM   _O17    55     1.26886   119.99019   163.34050
   47    43 S   CA   _C7_    44     1.39670   122.46904   179.32914
   48    47 S   HA   _H26    45     1.08619   119.31613  -179.23357
   49    33 S   CM   _C16    56     1.50352   110.91933  -175.45317
   50    47 S   CA   _C12    46     1.38472   119.51434     0.18871
   51    49 S   OS   _O21    57     1.39499   113.52110    85.97743
   52    50 S   CA   _C13    47     1.39502   119.91038     0.29342
   53    51 S   CT   _C19    58     1.42697   111.04070    87.97848
   54    53 S   HC   _H31    59     1.09399   107.82598   178.17952
   55    53 S   HC   _H32    60     1.09507   111.40127    59.77997
   56    53 S   HC   _H33    61     1.09461   111.31181   -63.52993
   57    50 S   OH   _O19    67     1.36690   120.37560  -178.89217
   58    57 S   HO   _H34    68     0.97227   108.79600     0.18663
   59    41 S   CA   _C9_    48     1.41719   118.16699  -178.02266
   60    52 S   OS   _O20    62     1.37716   119.08050  -178.05197
   61    59 S   CA   _C4_    49     1.40538   118.76001    -1.64984
   62    61 S   HA   _H23    50     1.08863   120.65450  -179.26618
   63    60 S   CT   _C18    63     1.42895   110.27616   -84.98918
   64    63 S   HC   _H28    64     1.09409   107.73929  -174.30715
   65    63 S   HC   _H29    65     1.09483   111.30701    67.50996
   66    63 S   HC   _H30    66     1.09573   111.45325   -56.00973
   67    61 S   CA   _C6_    51     1.39591   121.73581     0.00000
   68    67 S   HA   _H25    52     1.08832   117.40467  -179.08528
  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
  11   6   2   1   1  10   4  13  13  10   8   4   7   3   7   3
   6   7   4  11   3   2   1   1   3   1   6   5   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    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    45    49    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    49    51    53  
   38    39    40    45    49    51  
   36    37  
   37  
    0  
   39    40    41    43    59    67    42    45    49    51  
   40    41    42    49  
   41    43    44    47    52    59    61    67    68    42    45    46    49  
   43    44    47    48    50    52    59    61    62    67    42    45    60  
   45    46    49    51    43    59    61    62    67    68  
   44    47    48    50    52    59    61    57  
   47    48    50    59  
   46    49    51    53    61    67    68  
   49    51    67  
   48    50    52    59    60    57    58  
   50    52    57  
   51    53    54    55    56    67  
   52    59    61    60    63    57    58  
   53    54    55    56  
   59    61    62    67    60    63    64    65    66    57    58  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60  
    0  
   61    62    67    68    60    63  
   63    64    65    66    61  
   62    67    68  
   67    68  
   64    65    66  
   65    66  
   66  
    0  
   68  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    49   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    42   469.000  1.400
   41    43   469.000  1.400
   41    59   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    52   469.000  1.400
   50    57   450.000  1.364
   52    59   469.000  1.400
   52    60   450.000  1.364
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    67   469.000  1.400
   67    68   367.000  1.080
   67    42   469.000  1.400
   42    45   320.000  1.460
   45    46   745.000  1.250
   45    49   465.000  1.376
   49    51   440.000  1.360
   51    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    58   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  110.18000
   29    33    49    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    45    70.00000  124.00000
   33    49    51    85.00000  112.85300
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    42    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    43    63.00000  120.00000
   40    41    59    63.00000  120.00000
   40    42    67    63.00000  120.00000
   40    42    45    60.00000  120.93500
   41    43    44    35.00000  120.00000
   41    43    47    63.00000  120.00000
   41    59    52    63.00000  120.00000
   41    59    61    63.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    50    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    50    52    63.00000  120.00000
   47    50    57    70.00000  120.00000
   50    47    48    35.00000  120.00000
   50    52    59    63.00000  120.00000
   50    52    60    70.00000  120.00000
   50    57    58    35.00000  113.00000
   52    59    61    63.00000  120.00000
   52    60    63    75.00000  111.00000
   59    41    43    63.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    67    63.00000  120.00000
   61    67    68    35.00000  120.00000
   61    67    42    63.00000  120.00000
   67    61    62    35.00000  120.00000
   67    42    45    60.00000  120.93500
   42    40    41    63.00000  120.00000
   42    67    68    35.00000  120.00000
   42    45    46    85.00000  114.86500
   42    45    49    60.00000  123.20500
   45    49    51    80.00000  120.01400
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  109.06800
   49    45    46    65.00000  137.10300
   49    51    53    90.00000  111.18400
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   60    52    59    70.00000  120.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    50    52    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   0.32350  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  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    45   0.42700  1.0 1.0
   29    33    49    45  -0.70350 -1.0 2.0
   29    33    49    45  -0.43150  1.0 3.0
   29    33    49    51   0.09700  1.0 1.0
   29    33    49    51   0.15600 -1.0 2.0
   29    33    49    51  -0.50800  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    42   2.26350  1.0 1.0
   33    38    40    42   0.76750 -1.0 2.0
   33    38    40    42   0.22500  1.0 3.0
   33    49    51    53   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    45   0.00000  1.0 1.0
   34    33    49    51   0.00000  1.0 1.0
   38    33    49    45  -0.51250  1.0 1.0
   38    33    49    45  -0.88800 -1.0 2.0
   38    33    49    45   0.08850  1.0 3.0
   38    33    49    51   0.09700  1.0 1.0
   38    33    49    51   0.15600 -1.0 2.0
   38    33    49    51  -0.50800  1.0 3.0
   38    40    41    43   3.62500 -1.0 2.0
   38    40    41    59   3.62500 -1.0 2.0
   38    40    42    67   3.62500 -1.0 2.0
   38    40   -42    45   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    42   1.05000 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    47   3.62500 -1.0 2.0
   40    41    59    52   3.62500 -1.0 2.0
   40    41    59    61   3.62500 -1.0 2.0
   40    42    45    46  -0.01750  1.0 1.0
   40    42    45    46  -0.32000 -1.0 2.0
   40    42    45    46   0.00600  1.0 3.0
   40    42    45    49   0.15800  1.0 1.0
   40    42    45    49   1.85350 -1.0 2.0
   40    42    45    49  -0.48700  1.0 3.0
   41    40    42    67   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   41    43    47    48   3.62500 -1.0 2.0
   41    43    47    50   3.62500 -1.0 2.0
   41    59    61    62   3.62500 -1.0 2.0
   41    59   -61    67   3.62500 -1.0 2.0
   43    41    59    52   3.62500 -1.0 2.0
   43    41    59    61   3.62500 -1.0 2.0
   43    47   -50    52   3.62500 -1.0 2.0
   43    47    50    57   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    50   3.62500 -1.0 2.0
   47    50    52    59   3.62500 -1.0 2.0
   47    50    52    60   3.62500 -1.0 2.0
   47    50    57    58   0.84100 -1.0 2.0
   48    47    50    52   3.62500 -1.0 2.0
   48    47    50    57   3.62500 -1.0 2.0
   50    52   -59    41   3.62500 -1.0 2.0
   50    52    59    61   3.62500 -1.0 2.0
   50    52    60    63   1.63200 -1.0 2.0
   52    50    57    58   0.84100 -1.0 2.0
   52    59    61    62   3.62500 -1.0 2.0
   52    59    61    67   3.62500 -1.0 2.0
   52    60    63    64   0.08050  1.0 3.0
   52    60    63    65   0.08050  1.0 3.0
   52    60    63    66   0.08050  1.0 3.0
   59    41    43    44   3.62500 -1.0 2.0
   59    41   -43    47   3.62500 -1.0 2.0
   59    52    60    63   1.63200 -1.0 2.0
   59    61    67    68   3.62500 -1.0 2.0
   59    61    67    42   3.62500 -1.0 2.0
   61    67   -42    40   3.62500 -1.0 2.0
   61    67    42    45   3.62500 -1.0 2.0
   62    61    67    68   3.62500 -1.0 2.0
   62    61    67    42   3.62500 -1.0 2.0
   67    42    45    46  -0.01750  1.0 1.0
   67    42    45    46  -0.32000 -1.0 2.0
   67    42    45    46   0.00600  1.0 3.0
   67    42    45    49   0.15800  1.0 1.0
   67    42    45    49   1.85350 -1.0 2.0
   67    42    45    49  -0.48700  1.0 3.0
   68    67    42    40   3.62500 -1.0 2.0
   68    67    42    45   3.62500 -1.0 2.0
   42    40    41    43   3.62500 -1.0 2.0
   42    40   -41    59   3.62500 -1.0 2.0
   42    45   -49    33   7.00000 -1.0 2.0
   42    45    49    51   7.00000 -1.0 2.0
   45    49    51    53  -2.26850  1.0 1.0
   45    49    51    53   3.39050 -1.0 2.0
   46    45    49    33   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   49    51    53    54   0.08050  1.0 3.0
   49    51    53    55   0.08050  1.0 3.0
   49    51    53    56   0.08050  1.0 3.0
   60    52    59    41   3.62500 -1.0 2.0
   60    52    59    61   3.62500 -1.0 2.0
   57    50    52    59   3.62500 -1.0 2.0
   57    50    52    60   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    40    38    39  10.50000 -1.0 2.0
   41    42    40    38   4.00000 -1.0 2.0
   43    59    41    40   4.00000 -1.0 2.0
   47    44    43    41   1.10000 -1.0 2.0
   50    48    47    43   1.10000 -1.0 2.0
   52    57    50    47   4.00000 -1.0 2.0
   59    60    52    50   4.00000 -1.0 2.0
   52    61    59    41   4.00000 -1.0 2.0
   67    62    61    59   1.10000 -1.0 2.0
   42    68    67    61   1.10000 -1.0 2.0
   67    45    42    40   4.00000 -1.0 2.0
   42    46    45    49   1.10000 -1.0 2.0
   33    51    49    45   1.10000 -1.0 2.0
END
