* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    128    205     386
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    75.61300   -89.63230
    3     1 S   H    _H1_     3     1.02103   101.34979    16.98741
    4     1 S   H    _H2_     4     1.02103    38.89710   122.81567
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C6_    36     1.84673    97.11034  -178.15644
   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   _C7_    37     1.51179   106.09088   -60.01144
   38    37 S   HC   _H8_    38     1.09623   116.88043   -73.56892
   39    33 S   CT   _C5_    49     1.53662   115.21490   177.76104
   40    39 S   HC   _H3_    50     1.12299   108.26487   171.35014
   41    37 S   CM   _C8_    39     1.34564   124.80713   105.65439
   42    39 S   CO3  _C17    51     1.52408   116.86252    54.39208
   43    42 S   O2Z  _O40    52     1.26198   115.29405   -60.71331
   44    42 S   O2Z  _O39    53     1.26255   114.80520   119.22629
   45    41 S   CM   _C9_    40     1.45521   119.62045    -0.32626
   46    41 S   CT   _C14    62     1.50273   120.14974   179.22444
   47    46 S   HC   _H12    63     1.09447   107.97345  -150.02566
   48    46 S   HC   _H13    64     1.09415   107.63510   -34.35315
   49    45 S   CM   _C10    41     1.34258   122.63288     7.49297
   50    45 S   OH   _O36    60     1.38565   118.41204  -173.61426
   51    50 S   HO   _H11    61     0.96290   109.84744  -179.95577
   52    46 S   CT1  _C15    65     1.53049   112.69959    87.51672
   53    52 S   HC   _H5_    66     1.09794   109.20337    40.06081
   54    33 S   CD   _C11    42     1.53543   107.56307    59.54559
   55    49 S   OH   _O35    58     1.37981   122.90396   178.13313
   56    55 S   HO   _H10    59     0.96365   110.03073    -0.02798
   57    52 S   CO3  _C16    67     1.53886   112.98223   -79.19044
   58    57 S   O2Z  _O38    68     1.26176   116.57095   -59.93724
   59    57 S   O2Z  _O37    69     1.26653   114.32367   120.31148
   60    52 S   NT   _N5_    70     1.44703   111.04578   156.76817
   61    60 S   H    _H14    71     1.00355   118.80113   -35.36345
   62    60 S   H    _H15    72     1.00375   118.71276   158.11423
   63    54 S   NI   _N4_    43     1.29489   122.42521    81.04146
   64    63 S   CT1  _C12    44     1.45842   118.56305    -3.06471
   65    64 S   HC   _H4_    45     1.08190   109.61141   -81.02958
   66    64 S   CT   _C4_    46     1.52661   113.84958    41.98639
   67    66 S   HC   _H6_    47     1.10703   108.69804  -153.58621
   68    66 S   HC   _H7_    48     1.10795   109.98858    93.64603
   69    64 S   C    _C13    54     1.49851   105.58572   163.19446
   70    69 S   O    _O33    55     1.22320   125.02970    -2.97302
   71    69 S   OH   _O34    56     1.35510   110.72376   177.20054
   72    71 S   HO   _H9_    57     0.98105   111.93637   179.82983
  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  11   5   4   3
  18   2   1   1  15   5  14   8  13   7   2   1  11  12   5   4
   7   3   1   7   6   7   2   1   5   2   1   2   1   1   8   8
   6   5   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    54    63    66    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    49    54    63    64    66    67    68    39    40    42    43    44    55    46  
   35    36  
   36  
    0  
   38    41    45    49    54    63    66    39    40    42    50    46    47    48    52  
   41    45    54    39    46  
   40    42    43    44    69    41    49    54    63    64    65    66    67    68  
   42    43    44    54    64    66    67    68  
   45    49    54    55    50    51    46    47    48    52    53    57    60  
   43    44    54    64    66    67    68  
   44    66  
   66  
   49    54    63    55    56    50    51    46    47    48    52  
   47    48    52    53    57    58    59    60    61    62    49    50  
   48    52    53    57    60  
   52    53    57    60  
   54    63    64    55    56    50    51  
   51    54    55  
    0  
   53    57    58    59    60    61    62  
   57    58    59    60    61    62  
   63    64    65    66    69    55    56  
   56    63  
    0  
   58    59    60    61    62  
   59    60  
   60  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   0.203600   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.045500   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   55   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   64   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   71   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    54   270.000  1.508
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    45   380.000  1.444
   41    46   317.000  1.510
   45    49   549.000  1.340
   45    50   510.000  1.338
   49    54   320.000  1.464
   49    55   510.000  1.338
   54    63   500.000  1.261
   63    64   315.000  1.431
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   656.000  1.250
   42    44   656.000  1.250
   69    70   570.000  1.229
   69    71   450.000  1.364
   71    72   553.000  0.945
   55    56   553.000  0.945
   50    51   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    57   317.000  1.522
   52    60   305.000  1.457
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   434.000  1.010
   60    62   434.000  1.010
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    54    75.00000  114.43000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    54    49    65.00000  117.24000
   33    54    63    65.00000  122.10100
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  109.69300
   37    41    45    70.00000  123.01800
   37    41    46    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    45    49    70.00000  123.01800
   41    45    50    80.00000  121.38400
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    52    70.00000  112.02700
   45    49    54    60.00000  120.31500
   45    49    55    80.00000  121.38400
   45    50    51    70.00000  107.45700
   49    54    63    70.00000  121.86000
   49    55    56    70.00000  107.45700
   54    33    37    70.00000  110.51600
   54    63    64    75.00000  114.96100
   63    64    65    45.00000  110.38000
   63    64    66    80.00000  110.18800
   63    64    69    80.00000  108.92000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    39    58.35000  112.70000
   64    69    70    80.00000  120.40000
   64    69    71    80.00000  116.87500
   66    64    65    37.50000  110.70000
   66    39    40    37.50000  110.70000
   66    39    42    70.00000  109.69300
   68    66    67    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    54    70.00000  111.76100
   39    66    67    37.50000  110.70000
   39    66    68    37.50000  110.70000
   39    42    43    70.00000  117.00000
   39    42    44    70.00000  117.00000
   42    39    40    35.00000  109.50000
   44    42    43    80.00000  126.00000
   69    64    65    35.00000  109.50000
   69    64    66    63.00000  111.10000
   69    71    72    35.00000  113.00000
   71    69    70   100.00000  123.32000
   55    49    54    80.00000  121.38400
   50    45    49    80.00000  121.38400
   46    41    45    70.00000  124.00000
   46    52    53    37.50000  110.70000
   46    52    57    63.00000  111.10000
   46    52    60    80.00000  111.22000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    57    58    70.00000  117.00000
   52    57    59    70.00000  117.00000
   52    60    61    50.00000  111.55300
   52    60    62    50.00000  111.55300
   57    52    53    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    52    53    50.00000  109.55000
   60    52    57    75.00000  111.54000
   62    60    61    43.60000  106.40000
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    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   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    54    49   0.42700  1.0 1.0
   29    33    54    49  -0.70350 -1.0 2.0
   29    33    54    49  -0.43150  1.0 3.0
   29    33    54    63   0.00000  1.0 1.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    41    46   7.00000 -1.0 2.0
   33    54    63    64   6.00000 -1.0 2.0
   33    39    42    43   0.41150 -1.0 2.0
   33    39    42    44   0.41150 -1.0 2.0
   37    33    54    49  -0.28300  1.0 1.0
   37    33    54    49   0.26700 -1.0 2.0
   37    33    54    49  -0.63300  1.0 3.0
   37    33    54    63   0.00000  1.0 1.0
   37    33    39    66   0.34400  1.0 1.0
   37    33    39    66   0.09450 -1.0 2.0
   37    33    39    66   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41   -45    49   0.28850  1.0 1.0
   37    41   -45    49   2.61350 -1.0 2.0
   37    41   -45    49   0.78400  1.0 3.0
   37    41    45    50   0.50950  1.0 1.0
   37    41    45    50   0.56650 -1.0 2.0
   37    41    45    50   0.34050  1.0 3.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    48   0.00000  1.0 1.0
   37    41    46    52   0.09850  1.0 1.0
   37    41    46    52   0.15250 -1.0 2.0
   37    41    46    52  -0.50650  1.0 3.0
   38    37    41    45   7.00000 -1.0 2.0
   38    37    41    46   7.00000 -1.0 2.0
   41    45    49    54   7.00000 -1.0 2.0
   41    45    49    55   7.00000 -1.0 2.0
   41    45    50    51  -0.66100  1.0 1.0
   41    45    50    51   1.20850 -1.0 2.0
   41    45    50    51  -0.36000  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    57  -0.98800  1.0 1.0
   41    46    52    57   0.48800 -1.0 2.0
   41    46    52    57   0.76800  1.0 3.0
   41    46    52    60   0.59950  1.0 1.0
   41    46    52    60  -0.21400 -1.0 2.0
   41    46    52    60   0.56200  1.0 3.0
   45    41    46    47   0.00000  1.0 1.0
   45    41    46    48   0.00000  1.0 1.0
   45    41    46    52   0.98200  1.0 1.0
   45    41    46    52  -0.11900 -1.0 2.0
   45    41    46    52   0.24250  1.0 3.0
   45    49   -54    33   0.69550 -1.0 2.0
   45    49    54    63   1.09650  1.0 1.0
   45    49    54    63   0.48950 -1.0 2.0
   45    49    54    63   0.49400  1.0 3.0
   45    49    55    56  -0.66100  1.0 1.0
   45    49    55    56   1.20850 -1.0 2.0
   45    49    55    56  -0.36000  1.0 3.0
   49    45    50    51  -0.66100  1.0 1.0
   49    45    50    51   1.20850 -1.0 2.0
   49    45    50    51  -0.36000  1.0 3.0
   49    54    63    64   6.00000 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    41  -0.28300  1.0 1.0
   54    33   -37    41   0.26700 -1.0 2.0
   54    33   -37    41  -0.63300  1.0 3.0
   54    33    39    66   0.34400  1.0 1.0
   54    33    39    66   0.09450 -1.0 2.0
   54    33    39    66   0.11100  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    42  -0.98800  1.0 1.0
   54    33    39    42   0.48800 -1.0 2.0
   54    33    39    42   0.76800  1.0 3.0
   54    49    55    56  -0.66100  1.0 1.0
   54    49    55    56   1.20850 -1.0 2.0
   54    49    55    56  -0.36000  1.0 3.0
   54    63    64    65  -0.15000  1.0 3.0
   54    63   -64    66  -0.12500  1.0 1.0
   54    63   -64    66  -0.12500 -1.0 2.0
   54    63   -64    66   0.25000  1.0 3.0
   54    63    64    69  -0.12500  1.0 1.0
   54    63    64    69  -0.12500 -1.0 2.0
   54    63    64    69   0.25000  1.0 3.0
   63    64    66    67   0.15000  1.0 3.0
   63    64    66    68   0.15000  1.0 3.0
   63    64    66    39   0.56750  1.0 1.0
   63    64    66    39  -0.07550 -1.0 2.0
   63    64    66    39   0.20000  1.0 3.0
   63    64    69    70   0.30150 -1.0 2.0
   63    64    69    71   0.40000  1.0 3.0
   64    66   -39    33   0.56750  1.0 1.0
   64    66   -39    33  -0.07550 -1.0 2.0
   64    66   -39    33   0.20000  1.0 3.0
   64    66    39    40   0.15000  1.0 3.0
   64    66    39    42  -0.84850  1.0 1.0
   64    66    39    42  -0.22800 -1.0 2.0
   64    66    39    42   0.29250  1.0 3.0
   64    69    71    72   1.50000  1.0 1.0
   64    69    71    72   2.45000 -1.0 2.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    39   0.15000  1.0 3.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.50000  1.0 1.0
   66    64    69    71   0.27300 -1.0 2.0
   66    64    69    71   0.22500  1.0 3.0
   66    39    42    43   0.41150 -1.0 2.0
   66    39    42    44   0.41150 -1.0 2.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.15000  1.0 3.0
   67    66    39    42  -0.11250  1.0 3.0
   68    66    39    33   0.15000  1.0 3.0
   68    66    39    40   0.15000  1.0 3.0
   68    66    39    42  -0.11250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    54    49   0.09850  1.0 1.0
   39    33    54    49   0.15250 -1.0 2.0
   39    33    54    49  -0.50650  1.0 3.0
   39    33   -54    63   0.00000  1.0 1.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   69    64    66    67  -0.03800  1.0 3.0
   69    64    66    68  -0.03800  1.0 3.0
   69    64    66    39  -0.84850  1.0 1.0
   69    64    66    39  -0.22800 -1.0 2.0
   69    64    66    39   0.29250  1.0 3.0
   70    69    71    72   0.92200  1.0 1.0
   70    69    71    72   3.74100 -1.0 2.0
   55    49    54    33   7.00000 -1.0 2.0
   55    49    54    63   7.00000 -1.0 2.0
   50    45    49    54   7.00000 -1.0 2.0
   50    45    49    55   7.00000 -1.0 2.0
   46    41    45    49  -0.18600  1.0 3.0
   46    41    45    50   1.08500 -1.0 2.0
   46    52    57    58   0.00000  1.0 1.0
   46    52    57    59   0.00000  1.0 1.0
   46    52    60    61  -0.05950  1.0 1.0
   46    52    60    61   0.08850 -1.0 2.0
   46    52    60    61   0.11750  1.0 3.0
   46    52    60    62  -0.05950  1.0 1.0
   46    52    60    62   0.08850 -1.0 2.0
   46    52    60    62   0.11750  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    57  -0.03800  1.0 3.0
   47    46    52    60   0.15000  1.0 3.0
   48    46    52    53   0.15000  1.0 3.0
   48    46    52    57  -0.03800  1.0 3.0
   48    46    52    60   0.15000  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    60    61   0.20000  1.0 3.0
   53    52    60    62   0.20000  1.0 3.0
   57    52    60    61   0.21900  1.0 1.0
   57    52    60    61  -0.24900 -1.0 2.0
   57    52    60    61   0.15200  1.0 3.0
   57    52    60    62   0.21900  1.0 1.0
   57    52    60    62  -0.24900 -1.0 2.0
   57    52    60    62   0.15200  1.0 3.0
   60    52    57    58   0.30150 -1.0 2.0
   60    52    57    59   0.30150 -1.0 2.0
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    38    37    41   1.10000 -1.0 2.0
   45    46    41    37   1.10000 -1.0 2.0
   41    50    45    49   1.10000 -1.0 2.0
   54    55    49    45   1.10000 -1.0 2.0
   33    49    54    63  10.50000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
   58    52    57    59  10.50000 -1.0 2.0
END
