* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    119    187     347
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   _C9_    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H3_    37     1.09726   109.41650   -39.16381
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C8_    38     1.51180   110.53852  -159.99965
   39    38 S   CM   _C11    39     1.45058   114.88586    72.62521
   40    38 S   CM   _C7_    56     1.34641   121.57577  -109.98252
   41    39 S   CM   _C12    40     1.33484   121.30104    57.30974
   42    41 S   HC   _H8_    41     1.08311   124.34304     0.02798
   43    39 S   CO4  _C19    52     1.47820   119.96812  -122.72420
   44    43 S   O    _O36    53     1.22334   122.90867    -0.08156
   45    40 S   CM   _C6_    57     1.44524   121.68709    -0.45970
   46    45 S   HC   _H7_    58     1.08748   117.37693   175.61055
   47    40 S   OH   _O38    67     1.37781   125.76321  -179.85463
   48    47 S   HO   _H13    68     0.96391   109.96552   179.38738
   49    41 S   OS   _O35    42     1.37511   126.04774   179.98022
   50    45 S   CM   _C5_    59     1.33726   122.97497    -6.23269
   51    49 S   CA   _C13    43     1.37405   117.56788     0.04846
   52    33 S   CO4  _C10    60     1.52927   106.64454    75.77891
   53    52 S   O    _O34    61     1.23235   121.39243   -69.55810
   54    50 S   OS   _O33    62     1.37674   121.56778  -177.85689
   55    51 S   CA   _C14    44     1.39438   117.21917   179.91153
   56    55 S   HA   _H9_    45     1.08765   120.21720     0.04846
   57    54 S   CT   _C4_    63     1.40859   112.77206   -89.98650
   58    57 S   HC   _H4_    64     1.09272   109.53830   179.97202
   59    57 S   HC   _H5_    65     1.09296   109.49550    59.20023
   60    57 S   HC   _H6_    66     1.09234   108.97526   -60.37652
   61    55 S   CA   _C15    46     1.39520   119.79826  -179.92338
   62    61 S   CA   _C16    47     1.39533   120.14311    -0.01978
   63    62 S   HA   _H10    48     1.08732   120.23725   179.96574
   64    61 S   OH   _O37    54     1.36144   119.90588  -179.98022
   65    64 S   HO   _H12    55     0.97078   110.23561  -179.98022
   66    62 S   CA   _C17    49     1.39620   120.22103     0.02798
   67    66 S   HA   _H11    50     1.08639   119.02309  -179.97202
   68    51 S   CA   _C18    51     1.39671   122.72524    -0.04423
  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
  12   6   2   1   1  15  12   9   7   3   8   3   8   4   2   1
   6   7   8   3   1   4   8   4   3   2   1   1   7   6   4   2
   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    43    40    45    50    52    53    54    47  
   38    39    40    50    52    53  
   36    37  
   37  
    0  
   39    41    42    49    68    43    44    40    45    46    50    52    53    47    48  
   41    42    49    51    66    68    43    44    40    45    52    47  
   45    46    50    52    54    47    48    41    43  
   42    49    51    55    68    43    44  
   49    51    43  
   44    49    51    55    62    66    67    68  
   51    66    68  
   46    50    52    53    54    57    47    48  
   50    52    54    47  
   48    50  
    0  
   51    55    56    61    66    68  
   52    53    54    57    58    59    60  
   55    56    61    62    66    67    68    64  
   53    54    57  
   54  
   57    58    59    60  
   56    61    62    63    66    68    64    65  
   61    62    68    64  
   58    59    60  
   59    60  
   60  
    0  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   67    68  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   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    52   317.000  1.522
   38    39   380.000  1.444
   38    40   549.000  1.340
   39    41   549.000  1.340
   39    43   320.000  1.462
   41    42   340.000  1.080
   41    49   440.000  1.360
   49    51   450.000  1.364
   51    55   469.000  1.400
   51    68   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    43   310.000  1.470
   43    44   570.000  1.229
   64    65   553.000  0.945
   40    45   380.000  1.444
   40    47   510.000  1.338
   45    46   340.000  1.080
   45    50   549.000  1.340
   50    52   320.000  1.462
   50    54   440.000  1.360
   52    53   570.000  1.229
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    48   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    52    75.00000  110.18000
   33    38    39    60.00000  124.00000
   33    38    40    70.00000  124.00000
   33    52    50    65.00000  118.62400
   33    52    53    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    41    60.00000  124.00000
   38    39    43    60.00000  124.00000
   38    40    45    70.00000  123.01800
   38    40    47    80.00000  121.38400
   39    41    42    35.00000  120.00000
   39    41    49    80.00000  120.01400
   39    43    68    65.00000  117.02400
   39    43    44    80.00000  123.72100
   41    49    51    90.00000  114.30300
   49    41    42    55.00000  109.52600
   49    51    55    70.00000  120.00000
   49    51    68    70.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    61    63.00000  120.00000
   51    68    66    63.00000  120.00000
   51    68    43    60.00000  119.52600
   55    61    62    63.00000  120.00000
   55    61    64    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    43    60.00000  119.52600
   68    51    55    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    43    44    75.00000  123.78400
   43    39    41    65.00000  118.96000
   64    61    62    70.00000  120.00000
   40    38    39    60.00000  124.00000
   40    45    46    35.00000  120.00000
   40    45    50    70.00000  123.01800
   40    47    48    70.00000  107.45700
   45    50    52    65.00000  118.96000
   45    50    54    80.00000  120.01400
   50    45    46    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    54    57    90.00000  111.18400
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  109.06800
   54    50    52    85.00000  116.28000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    40    45    80.00000  121.38400
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    52    50   0.65300  1.0 1.0
   29    33    52    50  -0.03850 -1.0 2.0
   29    33    52    50   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   33    38    39    41  -0.18600  1.0 3.0
   33    38    39    43   1.08500 -1.0 2.0
   33    38    40    45   7.00000 -1.0 2.0
   33    38    40    47   7.00000 -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    52    50   0.00000  1.0 1.0
   34    33    52    53   0.00000  1.0 1.0
   38    33    52    50   0.65300  1.0 1.0
   38    33    52    50  -0.03850 -1.0 2.0
   38    33    52    50   0.33900  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
   38    39    41    42   7.00000 -1.0 2.0
   38    39    41    49   7.00000 -1.0 2.0
   38    39    43    68  -1.65800  1.0 1.0
   38    39    43    68   0.77650 -1.0 2.0
   38    39    43    44   1.00000 -1.0 2.0
   38    40    45    46  -0.18600  1.0 3.0
   38    40   -45    50   0.28850  1.0 1.0
   38    40   -45    50   2.61350 -1.0 2.0
   38    40   -45    50   0.78400  1.0 3.0
   38    40    47    48  -0.66100  1.0 1.0
   38    40    47    48   1.20850 -1.0 2.0
   38    40    47    48  -0.36000  1.0 3.0
   39    38    40    45   7.00000 -1.0 2.0
   39    38    40    47   7.00000 -1.0 2.0
   39    41    49    51   2.00000 -1.0 2.0
   41    39    43    68  -1.65800  1.0 1.0
   41    39    43    68   0.77650 -1.0 2.0
   41    39    43    44   1.00000 -1.0 2.0
   41    49    51    55   0.00000  1.0 1.0
   41    49   -51    68   0.00000  1.0 1.0
   42    41    49    51   0.50000 -1.0 2.0
   49    51    55    56   3.62500 -1.0 2.0
   49    51    55    61   3.62500 -1.0 2.0
   49    51    68    66   3.62500 -1.0 2.0
   49    51    68    43   3.62500 -1.0 2.0
   51    55    61    62   3.62500 -1.0 2.0
   51    55    61    64   3.62500 -1.0 2.0
   51    68   -43    39  -0.11500  1.0 1.0
   51    68   -43    39   1.10450 -1.0 2.0
   51    68   -43    39  -0.48050  1.0 3.0
   51    68    43    44   1.05000 -1.0 2.0
   55    51    68    66   3.62500 -1.0 2.0
   55    51    68    43   3.62500 -1.0 2.0
   55    61    62    63   3.62500 -1.0 2.0
   55    61   -62    66   3.62500 -1.0 2.0
   55    61    64    65   0.84100 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    64   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66   -68    51   3.62500 -1.0 2.0
   62    66    68    43   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    68    43    39  -0.11500  1.0 1.0
   66    68    43    39   1.10450 -1.0 2.0
   66    68    43    39  -0.48050  1.0 3.0
   66    68    43    44   1.05000 -1.0 2.0
   67    66    68    51   3.62500 -1.0 2.0
   67    66    68    43   3.62500 -1.0 2.0
   68    51    55    56   3.62500 -1.0 2.0
   68    51   -55    61   3.62500 -1.0 2.0
   43    39    41    42   7.00000 -1.0 2.0
   43    39   -41    49   7.00000 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   40    38    39    41   0.28850  1.0 1.0
   40    38    39    41   2.61350 -1.0 2.0
   40    38    39    41   0.78400  1.0 3.0
   40    38    39    43  -0.18600  1.0 3.0
   40    45    50    52   7.00000 -1.0 2.0
   40    45    50    54   7.00000 -1.0 2.0
   45    40    47    48  -0.66100  1.0 1.0
   45    40    47    48   1.20850 -1.0 2.0
   45    40    47    48  -0.36000  1.0 3.0
   45    50   -52    33  -0.33500  1.0 1.0
   45    50   -52    33   1.06600 -1.0 2.0
   45    50   -52    33  -0.14000  1.0 3.0
   45    50    52    53   1.00000 -1.0 2.0
   45    50    54    57  -2.26850  1.0 1.0
   45    50    54    57   3.39050 -1.0 2.0
   46    45    50    52   7.00000 -1.0 2.0
   46    45    50    54   7.00000 -1.0 2.0
   50    54    57    58   0.08050  1.0 3.0
   50    54    57    59   0.08050  1.0 3.0
   50    54    57    60   0.08050  1.0 3.0
   52    33    38    39  -0.51250  1.0 1.0
   52    33    38    39  -0.88800 -1.0 2.0
   52    33    38    39   0.08850  1.0 3.0
   52    33   -38    40  -0.51250  1.0 1.0
   52    33   -38    40  -0.88800 -1.0 2.0
   52    33   -38    40   0.08850  1.0 3.0
   52    50    54    57   0.15100 -1.0 2.0
   54    50    52    33   0.32450 -1.0 2.0
   54    50    52    33   0.17400  1.0 3.0
   54    50    52    53  -0.11900  1.0 1.0
   54    50    52    53   0.76850 -1.0 2.0
   54    50    52    53   0.14100  1.0 3.0
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    50   0.50950  1.0 1.0
   47    40    45    50   0.56650 -1.0 2.0
   47    40    45    50   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   38    43    39    41   1.10000 -1.0 2.0
   49    42    41    39   1.10000 -1.0 2.0
   55    68    51    49   4.00000 -1.0 2.0
   61    56    55    51   1.10000 -1.0 2.0
   62    64    61    55   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   66    43    68    51   4.00000 -1.0 2.0
   39    68    43    44  10.50000 -1.0 2.0
   45    47    40    38   1.10000 -1.0 2.0
   40    46    45    50   1.10000 -1.0 2.0
   52    54    50    45   1.10000 -1.0 2.0
   33    50    52    53  10.50000 -1.0 2.0
END
