* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    121    199     360
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036   105.73488   -27.43347
    3     1 S   H    _H1_     3     1.02120    64.08026    76.07497
    4     1 S   H    _H2_     4     1.02107    48.39055  -128.68990
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.81748    98.15268  -178.23608
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.51472   110.75508   -59.98328
   38    33 S   OH   _O37    70     1.41945   112.66011   174.66884
   39    38 S   HO   _H14    71     0.97135   106.84756  -174.92368
   40    37 S   CA   _C15    38     1.47287   125.38791   -61.75627
   41    37 S   CM   _C14    51     1.34498   107.52368   118.48814
   42    40 S   CA   _C16    39     1.39461   120.08355   120.28015
   43    42 S   HA   _H9_    40     1.08861   120.48099    -0.01978
   44    41 S   OS   _O33    52     1.39394   113.77211    -0.69069
   45    41 S   OH   _O34    68     1.36764   125.87981   178.15846
   46    45 S   HO   _H8_    69     0.96720   110.51101   179.97202
   47    42 S   CA   _C17    41     1.39481   120.04840  -179.85735
   48    33 S   CM   _C11    53     1.51286   111.03698    52.60162
   49    47 S   CA   _C18    42     1.39505   119.97023    -0.00000
   50    49 S   HA   _H10    43     1.08729   120.03307   179.98022
   51    47 S   OH   _O36    49     1.36057   120.08553   179.94405
   52    51 S   HO   _H13    50     0.97124   110.25789     0.03956
   53    48 S   CM   _C10    54     1.33795   128.61672    64.94451
   54    53 S   HC   _H7_    55     1.08884   117.41910     1.74271
   55    49 S   CA   _C19    44     1.39492   120.01328     0.02798
   56    53 S   CA   _C9_    56     1.43311   124.59799   179.98022
   57    40 S   CA   _C20    45     1.39505   119.93494   -59.58422
   58    57 S   HA   _H11    46     1.08777   120.51119    -0.12195
   59    55 S   OH   _O35    47     1.36056   120.02454  -179.97202
   60    59 S   HO   _H12    48     0.97058   110.31512   179.95154
   61    56 S   CA   _C4_    57     1.39441   120.01033  -118.23740
   62    61 S   HA   _H3_    58     1.08779   120.87215    -0.03426
   63    61 S   CA   _C5_    59     1.39484   120.00427  -179.95577
   64    63 S   HA   _H4_    60     1.08668   119.67693   179.97202
   65    63 S   CA   _C6_    61     1.39558   119.97868    -0.08393
   66    65 S   CA   _C7_    62     1.39504   120.00744     0.04846
   67    66 S   HA   _H5_    63     1.08586   120.32687   179.92338
   68    65 S   OH   _O38    66     1.36105   119.94788  -179.94766
   69    68 S   HO   _H15    67     0.97063   110.21018   180.00000
   70    56 S   CA   _C8_    64     1.39476   119.95285    61.74502
   71    70 S   HA   _H6_    65     1.08698   120.91131    -0.00000
  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
  13   2   1   1  15   6   1  13   7   9   4   6   2   1   7   5
   8   4   2   1   8   3   4   9   3   1   1   1   8   4   7   3
   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    41    44    48    53    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    57    41    44    48    53    54    56    45    38    39  
   35    36  
   36  
    0  
   40    42    43    47    55    57    58    41    44    48    53    45    46    38    39  
   39    40    41    44    48    53  
   48  
   42    43    47    49    55    57    58    59    51    41    44    48    45  
   44    48    53    45    46    42    57  
   43    47    49    50    55    57    58    51    52  
   47    49    57    51  
   48    53    54    56    45    46  
   46    48  
    0  
   49    50    55    57    59    51    52  
   53    54    56    61    70  
   50    55    57    58    59    60    51    52  
   55    57    59    51  
   52    55  
    0  
   54    56    61    62    63    66    70    71  
   56    61    70  
   57    58    59    60  
   61    62    63    64    65    66    67    70    71  
   58    59    60  
   59  
   60  
    0  
   62    63    64    65    66    70    71    68  
   63    64    65    70  
   64    65    66    67    70    68    69  
   65    66    68  
   66    67    70    71    68    69  
   67    70    71    68    69  
   70    71    68  
   69    70  
    0  
   71  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   2.8500   0.1400  -0.170000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    48   317.000  1.510
   33    38   320.000  1.410
   37    40   320.000  1.460
   37    41   549.000  1.340
   40    42   469.000  1.400
   40    57   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    49   469.000  1.400
   47    51   450.000  1.364
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    57   469.000  1.400
   55    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   51    52   553.000  0.945
   41    44   440.000  1.360
   41    45   510.000  1.338
   44    48   440.000  1.360
   48    53   549.000  1.340
   53    54   340.000  1.080
   53    56   320.000  1.460
   56    61   469.000  1.400
   56    70   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    68   450.000  1.364
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   68    69   553.000  0.945
   45    46   553.000  0.945
   38    39   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    60.00000  124.00000
   33    37    41    70.00000  124.00000
   33    48    44    85.00000  112.85300
   33    48    53    70.00000  124.00000
   33    38    39    55.00000  108.50000
   37    40    42    60.00000  118.70000
   37    40    57    60.00000  118.70000
   37    41    44    80.00000  120.01400
   37    41    45    80.00000  121.38400
   40    42    43    35.00000  120.00000
   40    42    47    63.00000  120.00000
   40    57    55    63.00000  120.00000
   40    57    58    35.00000  120.00000
   42    47    49    63.00000  120.00000
   42    47    51    70.00000  120.00000
   47    42    43    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    55    63.00000  120.00000
   47    51    52    35.00000  113.00000
   49    55    57    63.00000  120.00000
   49    55    59    70.00000  120.00000
   55    49    50    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    59    60    35.00000  113.00000
   57    40    42    63.00000  120.00000
   59    55    57    70.00000  120.00000
   51    47    49    70.00000  120.00000
   41    37    40    60.00000  123.66000
   41    44    48    90.00000  114.05000
   41    45    46    70.00000  107.45700
   44    48    53    80.00000  120.01400
   48    33    37    70.00000  110.12100
   48    53    54    35.00000  120.00000
   48    53    56    60.00000  123.20500
   53    56    61    60.00000  120.93500
   53    56    70    60.00000  120.93500
   56    53    54    40.00000  117.26300
   56    61    62    35.00000  120.00000
   56    61    63    63.00000  120.00000
   56    70    66    63.00000  120.00000
   56    70    71    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    68    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    70    63.00000  120.00000
   65    68    69    35.00000  113.00000
   66    70    71    35.00000  120.00000
   70    56    61    63.00000  120.00000
   70    66    67    35.00000  120.00000
   68    65    66    70.00000  120.00000
   45    41    44   115.00000  116.36000
   38    33    37    90.00000  110.39200
   38    33    48    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    48    44   0.09700  1.0 1.0
   29    33    48    44   0.15600 -1.0 2.0
   29    33    48    44  -0.50800  1.0 3.0
   29    33    48    53   0.42700  1.0 1.0
   29    33    48    53  -0.70350 -1.0 2.0
   29    33    48    53  -0.43150  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    42  -0.02500  1.0 1.0
   33    37    40    42  -0.32150 -1.0 2.0
   33    37    40    42  -0.01500  1.0 3.0
   33    37    40    57  -0.02500  1.0 1.0
   33    37    40    57  -0.32150 -1.0 2.0
   33    37    40    57  -0.01500  1.0 3.0
   33    37   -41    44   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    48    53    54   7.00000 -1.0 2.0
   33    48    53    56   7.00000 -1.0 2.0
   37    33   -48    44   0.09700  1.0 1.0
   37    33   -48    44   0.15600 -1.0 2.0
   37    33   -48    44  -0.50800  1.0 3.0
   37    33    48    53  -0.28300  1.0 1.0
   37    33    48    53   0.26700 -1.0 2.0
   37    33    48    53  -0.63300  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    42    43   3.62500 -1.0 2.0
   37    40    42    47   3.62500 -1.0 2.0
   37    40    57    55   3.62500 -1.0 2.0
   37    40    57    58   3.62500 -1.0 2.0
   37    41   -44    48   2.00000 -1.0 2.0
   37    41    45    46  -0.66100  1.0 1.0
   37    41    45    46   1.20850 -1.0 2.0
   37    41    45    46  -0.36000  1.0 3.0
   40    37    41    44   7.00000 -1.0 2.0
   40    37    41    45   7.00000 -1.0 2.0
   40    42    47    49   3.62500 -1.0 2.0
   40    42    47    51   3.62500 -1.0 2.0
   42    40    57    55   3.62500 -1.0 2.0
   42    40    57    58   3.62500 -1.0 2.0
   42    47    49    50   3.62500 -1.0 2.0
   42    47   -49    55   3.62500 -1.0 2.0
   42    47    51    52   0.84100 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   43    42    47    51   3.62500 -1.0 2.0
   47    49    55    57   3.62500 -1.0 2.0
   47    49    55    59   3.62500 -1.0 2.0
   49    47    51    52   0.84100 -1.0 2.0
   49    55   -57    40   3.62500 -1.0 2.0
   49    55    57    58   3.62500 -1.0 2.0
   49    55    59    60   0.84100 -1.0 2.0
   50    49    55    57   3.62500 -1.0 2.0
   50    49    55    59   3.62500 -1.0 2.0
   57    40    42    43   3.62500 -1.0 2.0
   57    40   -42    47   3.62500 -1.0 2.0
   57    55    59    60   0.84100 -1.0 2.0
   59    55    57    40   3.62500 -1.0 2.0
   59    55    57    58   3.62500 -1.0 2.0
   51    47    49    50   3.62500 -1.0 2.0
   51    47    49    55   3.62500 -1.0 2.0
   41    37    40    42   0.15800  1.0 1.0
   41    37    40    42   1.85350 -1.0 2.0
   41    37    40    42  -0.48700  1.0 3.0
   41    37    40    57   0.15800  1.0 1.0
   41    37    40    57   1.85350 -1.0 2.0
   41    37    40    57  -0.48700  1.0 3.0
   41    44   -48    33   2.00000 -1.0 2.0
   41    44    48    53   2.00000 -1.0 2.0
   44    41    45    46   2.00000 -1.0 2.0
   44    48    53    54   7.00000 -1.0 2.0
   44    48    53    56   7.00000 -1.0 2.0
   48    33    37    40   0.09700  1.0 1.0
   48    33    37    40   0.15600 -1.0 2.0
   48    33    37    40  -0.50800  1.0 3.0
   48    33   -37    41  -0.28300  1.0 1.0
   48    33   -37    41   0.26700 -1.0 2.0
   48    33   -37    41  -0.63300  1.0 3.0
   48    33    38    39  -0.07800  1.0 1.0
   48    33    38    39  -0.21500 -1.0 2.0
   48    33    38    39  -0.03150  1.0 3.0
   48    53    56    61   0.15800  1.0 1.0
   48    53    56    61   1.85350 -1.0 2.0
   48    53    56    61  -0.48700  1.0 3.0
   48    53    56    70   0.15800  1.0 1.0
   48    53    56    70   1.85350 -1.0 2.0
   48    53    56    70  -0.48700  1.0 3.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56    61    63   3.62500 -1.0 2.0
   53    56    70    66   3.62500 -1.0 2.0
   53    56    70    71   3.62500 -1.0 2.0
   54    53    56    61   0.56550  1.0 3.0
   54    53    56    70   0.56550  1.0 3.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61    63    65   3.62500 -1.0 2.0
   61    56    70    66   3.62500 -1.0 2.0
   61    56    70    71   3.62500 -1.0 2.0
   61    63   -65    66   3.62500 -1.0 2.0
   61    63    65    68   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    70   3.62500 -1.0 2.0
   63    65    68    69   0.84100 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    68   3.62500 -1.0 2.0
   65    66   -70    56   3.62500 -1.0 2.0
   65    66    70    71   3.62500 -1.0 2.0
   66    65    68    69   0.84100 -1.0 2.0
   67    66    70    56   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    56    61    62   3.62500 -1.0 2.0
   70    56   -61    63   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    70   3.62500 -1.0 2.0
   45    41    44    48   2.00000 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    48    44   0.09700  1.0 1.0
   38    33    48    44   0.15600 -1.0 2.0
   38    33    48    44  -0.50800  1.0 3.0
   38    33    48    53   0.67800  1.0 1.0
   38    33    48    53   0.47050 -1.0 2.0
   38    33    48    53  -0.62500  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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   42    57    40    37   4.00000 -1.0 2.0
   47    43    42    40   1.10000 -1.0 2.0
   49    51    47    42   4.00000 -1.0 2.0
   55    50    49    47   1.10000 -1.0 2.0
   57    59    55    49   4.00000 -1.0 2.0
   55    58    57    40   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   33    44    48    53   1.10000 -1.0 2.0
   56    54    53    48   1.10000 -1.0 2.0
   61    70    56    53   4.00000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    68    65    63   4.00000 -1.0 2.0
   70    67    66    65   1.10000 -1.0 2.0
   66    71    70    56   1.10000 -1.0 2.0
END
