* LIGAND DATABASE FILE (OPLS2005)
*
001      69    73    128    218     380
    1     0 S   NP   _N1_     1    28.84672    96.02518   -21.92274
    2     1 S   H    _HN1     2     1.02777    94.86212   -68.75629
    3     1 S   H    _H1_     3     1.02954    76.95376    38.98924
    4     1 S   H    _H2_     4     1.02828    39.13894   178.64261
    5     1 S   CT   _CA1     5     1.50126   146.59797   146.29937
    6     5 S   HC   _HA1     6     1.09583   105.16586    80.30283
    7     5 S   CO3  _C1_     7     1.53705   112.38215   -39.73502
    8     7 S   O2Z  _O11     8     1.26347   114.94161   -43.99798
    9     7 S   O2Z  _O12     9     1.26250   114.85500   134.92057
   10     5 S   CT   _CB1    10     1.53062   107.39669  -161.93662
   11    10 S   HC   HB11    11     1.09824   109.06468   -51.60161
   12    10 S   HC   HB12    12     1.09814   110.55957    64.90047
   13    10 S   CT   _CG1    13     1.52991   112.71132  -172.74693
   14    13 S   HC   HG11    14     1.09590   110.44111   -68.50614
   15    13 S   HC   HG12    15     1.09673   109.92535    50.69026
   16    13 S   C    _CD1    16     1.51853   112.31027   170.82667
   17    16 S   O    _OE1    17     1.22727   123.31929     1.84207
   18    16 S   N    _N2_    18     1.38616   111.63594  -177.78450
   19    18 S   H    _HN2    19     1.01597   118.88150     0.09279
   20    18 S   CT1  _CA2    20     1.46282   123.43476   177.16137
   21    20 S   HC   _HA2    21     1.09738   109.39917    -9.46340
   22    20 S   C    _C2_    22     1.53426   108.12495  -124.80204
   23    22 S   O    _O2_    23     1.23018   122.44249  -146.99024
   24    20 S   CT   _CB2    32     1.53246   111.45829   112.86836
   25    24 S   HC   HB21    33     1.09507   109.81602    54.24349
   26    24 S   HC   HB22    34     1.09509   110.78337   172.70158
   27    22 S   N    _N3_    24     1.38383   113.40237    40.46223
   28    27 S   H    _HN3    25     1.01642   119.48448    -3.61043
   29    24 S   S    _SG2    35     1.82821   111.37020   -68.33754
   30    27 S   CT   _CA3    26     1.45290   123.16914   176.97314
   31    30 S   HC   HA31    27     1.09551   107.53161   -63.65358
   32    30 S   HC   HA32    28     1.09556   107.94749    52.76546
   33    29 S   CT   _C23    36     1.83938    99.76345   149.92614
   34    33 S   HC   _H3_    37     1.09659   108.07923    42.24126
   35    30 S   CO3  _C3_    29     1.52945   114.09872   174.72233
   36    35 S   O2Z  _O31    30     1.26371   116.03542    -1.35869
   37    35 S   O2Z  _O32    31     1.26425   114.42272   178.70850
   38    33 S   CM   _C21    38     1.50247   107.25827   158.03008
   39    38 S   HC   _H32    39     1.08692   117.99766   -80.65524
   40    38 S   CM   _C20    40     1.33855   122.81252    99.47895
   41    40 S   HC   _H31    41     1.08491   120.42092  -179.60189
   42    40 S   CA   _C18    42     1.46659   120.71310    -1.73133
   43    42 S   CA   _C11    43     1.39728   118.83186  -166.27329
   44    43 S   HA   _H30    44     1.08946   119.52834     0.78484
   45    42 S   CA   _C19    65     1.41105   120.99522    14.24823
   46    43 S   CA   _C14    45     1.39798   120.94553  -179.58316
   47    33 S   CT   _C22    66     1.54852   111.22341   -78.45577
   48    47 S   HC   _H33    67     1.09373   108.94265    39.38612
   49    46 S   CA   _C9_    46     1.40125   120.43805  -179.32652
   50    49 S   HA   _H28    47     1.08832   120.56630     0.33338
   51    46 S   CR3  _C17    63     1.41412   119.70585     0.91279
   52    47 S   OH   _O21    68     1.43213   109.04196   155.39826
   53    52 S   HO   _H35    69     0.97218   107.62287   -61.58438
   54    49 S   CA   _C7_    48     1.39387   120.90270  -179.70993
   55    54 S   HA   _H26    49     1.08791   118.78254  -179.88131
   56    57 S   CR3  _C16    64     1.41606   119.29293    -0.14265
   57    54 S   CA   _C12    50     1.39810   120.55688     0.26614
   58    57 S   CA   _C5_    51     1.40267   121.01697   179.80923
   59    58 S   HA   _H24    52     1.08785   120.61826     0.24866
   60    58 S   CA   _C4_    53     1.39261   120.58132  -179.84174
   61    60 S   HA   _H23    54     1.08612   120.02463  -179.76677
   62    60 S   CA   _C6_    55     1.39247   120.00564     0.10835
   63    62 S   HA   _H25    56     1.08792   118.86520  -179.68163
   64    62 S   CA   _C13    57     1.40284   120.58780    -0.13988
   65    64 S   CA   _C8_    58     1.39521   121.16335   179.97202
   66    65 S   HA   _H27    59     1.08814   120.57569     0.00000
   67    65 S   CA   _C10    60     1.39669   120.69257   179.76097
   68    67 S   HA   _H29    61     1.08674   116.69423   179.38611
   69    67 S   CA   _C15    62     1.41186   122.06726    -0.31279
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1   9   4   8   3  11  10   4  11  10   6   3
   8   4  10   2   1   7   3  11   8   6   3   5   3   5   2   5
   4   3   2   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    69    45    47    48    52    53  
   38    39    40    45    47    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    45    47    48    52  
   40    41    42    47  
   41    42    43    44    46    69    45    47  
   42    43    45  
   43    44    46    49    67    69    51    45    47    48    52  
   44    46    49    50    54    69    51    56    45    47  
   46    49    51    45  
   47    48    52    53    46    51    56    65    67    68    69  
   49    50    54    55    57    64    67    69    51    56  
   48    52    53    51    67    69  
   52    53    69  
   50    54    55    57    58    69    51    56  
   54    55    57    51  
   56    54    57    58    62    64    65    67    68    69  
   53    69  
    0  
   55    57    58    59    60    64    56  
   57    58    56  
   57    58    59    60    62    63    64    65    66    67    69  
   58    59    60    61    62    64    65    69  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65    66    67  
   64    65  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    45   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    49   469.000  1.400
   46    51   490.000  1.398
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   469.000  1.400
   57    56   490.000  1.398
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   469.000  1.400
   64    56   490.000  1.398
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    51   490.000  1.398
   69    45   469.000  1.400
   51    56   490.000  1.398
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    52   320.000  1.410
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    45    70.00000  112.17500
   33    47    48    37.50000  110.70000
   33    47    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    60.00000  123.20500
   40    38    39    35.00000  120.00000
   40    42    43    60.00000  120.93500
   40    42    45    60.00000  120.93500
   42    40    41    40.00000  117.26300
   42    43    44    35.00000  120.00000
   42    43    46    63.00000  120.00000
   42    45    69    63.00000  120.00000
   42    45    47    70.00000  120.00000
   43    46    49    63.00000  120.00000
   43    46    51    70.00000  112.88000
   46    43    44    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    54    63.00000  120.00000
   46    51    69    60.00000  130.80000
   46    51    56    60.00000  130.80000
   49    54    55    35.00000  120.00000
   49    54    57    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    57    58    63.00000  120.00000
   54    57    56    70.00000  112.88000
   57    54    55    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    60    63.00000  120.00000
   57    56    64    60.00000  130.80000
   57    56    51    60.00000  130.80000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    63.00000  120.00000
   62    64    56    70.00000  112.88000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    67    63.00000  120.00000
   64    56    51    60.00000  130.80000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    51    70.00000  112.88000
   67    69    45    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    51    56    60.00000  130.80000
   69    45    47    70.00000  120.00000
   51    46    49    70.00000  112.88000
   56    57    58    70.00000  112.88000
   56    64    65    70.00000  112.88000
   45    42    43    63.00000  120.00000
   45    69    51    70.00000  112.88000
   45    47    48    35.00000  109.50000
   45    47    52    90.00000  112.51600
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    52    53    55.00000  108.50000
   52    47    48    35.00000  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  -0.62250  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   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    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    52    53  -0.11600  1.0 1.0
   33    47    52    53  -0.09450 -1.0 2.0
   33    47    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.43200  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    52   0.23400  1.0 3.0
   38    33    47    45   0.21200  1.0 1.0
   38    33    47    45   0.16900 -1.0 2.0
   38    33    47    45  -1.15100  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    52   1.05650  1.0 1.0
   38    33    47    52   0.15600 -1.0 2.0
   38    33    47    52   0.53150  1.0 3.0
   38    40    42    43   0.15800  1.0 1.0
   38    40    42    43   1.85350 -1.0 2.0
   38    40    42    43  -0.48700  1.0 3.0
   38    40   -42    45   0.15800  1.0 1.0
   38    40   -42    45   1.85350 -1.0 2.0
   38    40   -42    45  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    45    69   3.62500 -1.0 2.0
   40    42    45    47   3.62500 -1.0 2.0
   41    40    42    43   0.56550  1.0 3.0
   41    40    42    45   0.56550  1.0 3.0
   42    43    46    49   3.62500 -1.0 2.0
   42    43    46    51   3.62500 -1.0 2.0
   42    45   -47    33   0.04150 -1.0 2.0
   42    45    47    48   0.00000  1.0 1.0
   42    45    47    52   0.14300 -1.0 2.0
   42    45    47    52   0.00300  1.0 3.0
   43    42    45    69   3.62500 -1.0 2.0
   43    42    45    47   3.62500 -1.0 2.0
   43    46    49    50   3.62500 -1.0 2.0
   43    46    49    54   3.62500 -1.0 2.0
   43    46   -51    69   3.62500 -1.0 2.0
   43    46    51    56   3.62500 -1.0 2.0
   44    43    46    49   3.62500 -1.0 2.0
   44    43    46    51   3.62500 -1.0 2.0
   46    49    54    55   3.62500 -1.0 2.0
   46    49    54    57   3.62500 -1.0 2.0
   46    51   -56    57   3.62500 -1.0 2.0
   46    51    56    64   3.62500 -1.0 2.0
   49    46    51    69   3.62500 -1.0 2.0
   49    46    51    56   3.62500 -1.0 2.0
   49    54    57    58   3.62500 -1.0 2.0
   49    54   -57    56   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    57   3.62500 -1.0 2.0
   54    57    58    59   3.62500 -1.0 2.0
   54    57    58    60   3.62500 -1.0 2.0
   54    57    56    64   3.62500 -1.0 2.0
   54    57    56    51   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    56   3.62500 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    62   3.62500 -1.0 2.0
   58    57    56    64   3.62500 -1.0 2.0
   58    57    56    51   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60   -62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62    64    56   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   62    64    65    67   3.62500 -1.0 2.0
   62    64   -56    57   3.62500 -1.0 2.0
   62    64    56    51   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    56   3.62500 -1.0 2.0
   64    65    67    68   3.62500 -1.0 2.0
   64    65    67    69   3.62500 -1.0 2.0
   65    64    56    57   3.62500 -1.0 2.0
   65    64    56    51   3.62500 -1.0 2.0
   65    67   -69    51   3.62500 -1.0 2.0
   65    67    69    45   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    51    46   3.62500 -1.0 2.0
   67    69    51    56   3.62500 -1.0 2.0
   67    69    45    42   3.62500 -1.0 2.0
   67    69    45    47   3.62500 -1.0 2.0
   68    67    69    51   3.62500 -1.0 2.0
   68    67    69    45   3.62500 -1.0 2.0
   69    51    56    57   3.62500 -1.0 2.0
   69    51   -56    64   3.62500 -1.0 2.0
   69    45    47    33   0.04150 -1.0 2.0
   69    45    47    48   0.00000  1.0 1.0
   69    45    47    52   0.14300 -1.0 2.0
   69    45    47    52   0.00300  1.0 3.0
   51    46    49    50   3.62500 -1.0 2.0
   51    46   -49    54   3.62500 -1.0 2.0
   51    69   -45    42   3.62500 -1.0 2.0
   51    69    45    47   3.62500 -1.0 2.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57   -58    60   3.62500 -1.0 2.0
   56    64    65    66   3.62500 -1.0 2.0
   56    64   -65    67   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    46   3.62500 -1.0 2.0
   45    69   -51    46   3.62500 -1.0 2.0
   45    69    51    56   3.62500 -1.0 2.0
   45    47    52    53   0.31900  1.0 1.0
   45    47    52    53  -0.11800 -1.0 2.0
   45    47    52    53   0.38750  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
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
   42    41    40    38   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   46    44    43    42   1.10000 -1.0 2.0
   49    51    46    43   4.00000 -1.0 2.0
   54    50    49    46   1.10000 -1.0 2.0
   57    55    54    49   1.10000 -1.0 2.0
   58    56    57    54   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   65    56    64    62   4.00000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   51    45    69    67   4.00000 -1.0 2.0
   69    56    51    46   4.00000 -1.0 2.0
   64    51    56    57   4.00000 -1.0 2.0
   69    47    45    42   4.00000 -1.0 2.0
END
