* LIGAND DATABASE FILE (OPLS2005)
*
001      66    68    118    194     351
    1     0 S   NP   _N1_     1    28.82209    93.18593   -20.62164
    2     1 S   H    _HN1     2     1.02999   102.26024    43.12909
    3     1 S   H    _H1_     3     1.02826    21.08867   148.67861
    4     1 S   H    _H2_     4     1.02773    90.73285   -65.77964
    5     1 S   CT   _CA1     5     1.50171   130.31352   173.66937
    6     5 S   HC   _HA1     6     1.09585   105.22613    49.86781
    7     5 S   CO3  _C1_     7     1.53783   112.51990   -70.03079
    8     7 S   O2Z  _O11     8     1.26330   115.06929   -39.80643
    9     7 S   O2Z  _O12     9     1.26254   114.94807   139.50798
   10     5 S   CT   _CB1    10     1.53088   107.25396   167.51874
   11    10 S   HC   HB11    11     1.09815   109.04280   -53.41388
   12    10 S   HC   HB12    12     1.09767   110.34108    62.82770
   13    10 S   CT   _CG1    13     1.52995   113.05089  -174.85578
   14    13 S   HC   HG11    14     1.09594   110.13135   -64.28616
   15    13 S   HC   HG12    15     1.09623   110.27023    54.93136
   16    13 S   C    _CD1    16     1.51836   112.19713   174.96623
   17    16 S   O    _OE1    17     1.22736   123.12176   -15.39451
   18    16 S   N    _N2_    18     1.38607   111.78493   165.57859
   19    18 S   H    _HN2    19     1.01593   118.99172     0.62714
   20    18 S   CT1  _CA2    20     1.46332   123.49061  -178.34708
   21    20 S   HC   _HA2    21     1.09743   109.24336   -19.05124
   22    20 S   C    _C2_    22     1.53408   108.22508  -134.68114
   23    22 S   O    _O2_    23     1.22997   122.32668  -145.90322
   24    20 S   CT   _CB2    32     1.53583   111.33369   103.15961
   25    24 S   HC   HB21    33     1.09540   109.44068    52.96881
   26    24 S   HC   HB22    34     1.09415   110.53983   171.91837
   27    22 S   N    _N3_    24     1.38537   113.26848    41.51469
   28    27 S   H    _HN3    25     1.01538   118.90287    -0.51244
   29    24 S   S    _SG2    35     1.82718   111.33207   -68.64839
   30    27 S   CT   _CA3    26     1.45455   123.44841   175.05300
   31    30 S   HC   HA31    27     1.09524   109.22184    24.36314
   32    30 S   HC   HA32    28     1.09494   107.11322   141.37956
   33    29 S   CT   _C12    36     1.85744   100.61285   155.62406
   34    33 S   HC   _H4_    37     1.09816   107.35186   -20.98872
   35    30 S   CO3  _C3_    29     1.52938   113.17948   -99.09785
   36    35 S   O2Z  _O31    30     1.26399   115.45115   -42.88494
   37    35 S   O2Z  _O32    31     1.26362   114.95264   138.06897
   38    33 S   CT   _C11    38     1.54589   111.58758    95.24246
   39    38 S   HC   _H3_    39     1.09690   110.91248   172.29503
   40    33 S   CT   _C13    54     1.57069   110.76061  -136.63063
   41    38 S   CO4  _C10    40     1.51350   113.35718   -67.86954
   42    41 S   O    _O33    41     1.21542   127.80995   -53.97114
   43    38 S   OS   _O34    51     1.44998   112.95778    52.19503
   44    40 S   CM   _C14    55     1.51035   114.06497   -62.66578
   45    44 S   HC   _H8_    56     1.08662   117.78685   -61.12593
   46    40 S   OH   _O36    65     1.43602   108.13037  -179.93744
   47    46 S   HO   _H12    66     0.97257   108.36755   -62.04971
   48    41 S   CA   _C8_    42     1.43770   106.95479   126.53077
   49    44 S   CM   _C15    57     1.33878   124.46153   119.37300
   50    49 S   HC   _H9_    58     1.08358   121.59812  -179.27611
   51    48 S   CA   _C9_    43     1.38022   130.93498   179.22747
   52    51 S   HA   _H7_    44     1.08381   121.81195    -0.39466
   53    49 S   CO4  _C16    59     1.47939   120.64817     1.29210
   54    53 S   O    _O35    60     1.22608   121.14729  -176.10434
   55    51 S   CA   _C4_    45     1.39556   117.00994   179.49255
   56    55 S   HA   _H5_    46     1.08662   119.35431   180.00000
   57    53 S   CM   _C17    61     1.47886   117.62225     4.82459
   58    57 S   HC   _H10    62     1.08326   117.88028   175.14619
   59    55 S   CA   _C5_    47     1.40672   120.06785    -0.11869
   60    40 S   CM   _C18    63     1.51699   110.39154    64.12411
   61    60 S   HC   _H11    64     1.08782   117.44415    57.51244
   62    59 S   CA   _C6_    48     1.39718   121.61115    -0.02798
   63    62 S   HA   _H6_    49     1.08435   121.23301  -179.72876
   64    59 S   OH   _O37    52     1.36811   120.58324  -179.90935
   65    64 S   HO   _H13    53     0.97241   108.62330     0.01978
   66    48 S   CA   _C7_    50     1.38025   105.79336    -1.33104
  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  10   5   4   3
  17   8   2   1   1  12   6  13   8   4   6  10   5   5   1   8
   6   3   7   4   5   3   7   3   3   2   5   1   1   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    43    40    44    60    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    48    66    43    40    44    45    49    57    60    61    46    47  
   38    39    41    43    40    44    60    46  
   36    37  
   37  
    0  
   39    41    42    48    51    62    66    43    40    44    60    46  
   41    42    48    66    43    40  
   44    45    49    50    53    57    58    60    61    46    47    41    43  
   42    48    51    52    55    62    66    43  
   48    51    66    43  
   48    51    59    62    63    66  
   45    49    50    53    54    57    60    61    46    47  
   49    50    53    60    46  
   47    49    57    60    61  
   60  
   51    52    55    56    59    62    63    66  
   50    53    54    57    58    60  
   53    54    57  
   52    55    56    59    62    66    64  
   55    56    59    66  
   54    57    58    60    61  
   57    58    60  
   56    59    62    63    66    64    65  
   59    62    64  
   58    60    61  
   60    61  
   62    63    66    64    65  
   61  
    0  
   63    66    64    65  
   66    64  
   65    66  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   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   0.085000   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    43   320.000  1.410
   41    42   570.000  1.229
   41    48   310.000  1.470
   48    51   469.000  1.400
   48    66   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    62   469.000  1.400
   59    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    43   450.000  1.364
   64    65   553.000  0.945
   40    44   317.000  1.510
   40    60   317.000  1.510
   40    46   320.000  1.410
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    53   320.000  1.462
   53    54   570.000  1.229
   53    57   320.000  1.462
   57    58   340.000  1.080
   57    60   549.000  1.340
   60    61   340.000  1.080
   46    47   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    40    44    70.00000  112.02700
   33    40    60    70.00000  112.02700
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    48    65.00000  115.47100
   38    43    66    75.00000  111.00000
   41    38    39    35.00000  109.50000
   41    48    51    60.00000  119.52600
   41    48    66    60.00000  119.52600
   48    41    42    75.00000  123.78400
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   48    66    62    63.00000  120.00000
   48    66    43    70.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    59    62    63.00000  120.00000
   55    59    64    70.00000  120.00000
   59    55    56    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   59    64    65    35.00000  113.00000
   62    66    43    70.00000  120.00000
   66    48    51    63.00000  120.00000
   66    62    63    35.00000  120.00000
   43    38    39    35.00000  109.50000
   43    38    41    90.00000  108.74100
   64    59    62    70.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    35.00000  117.00000
   40    44    49    70.00000  124.00000
   40    60    57    70.00000  124.00000
   40    60    61    35.00000  117.00000
   40    46    47    55.00000  108.50000
   44    49    50    35.00000  120.00000
   44    49    53    65.00000  118.96000
   49    44    45    35.00000  120.00000
   49    53    54    80.00000  123.72100
   49    53    57    65.00000  118.65900
   53    49    50    40.00000  117.72500
   53    57    58    40.00000  117.72500
   53    57    60    65.00000  118.96000
   57    53    54    80.00000  123.72100
   57    60    61    35.00000  120.00000
   60    40    44    70.00000  110.12100
   60    57    58    35.00000  120.00000
   46    40    44    90.00000  110.39200
   46    40    60    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    60   0.56750  1.0 1.0
   29    33    40    60  -0.07550 -1.0 2.0
   29    33    40    60   0.20000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    48   0.05850 -1.0 2.0
   33    38    41    48   0.17250  1.0 3.0
   33    38    43    66  -0.32850  1.0 1.0
   33    38    43    66  -0.35800 -1.0 2.0
   33    38    43    66   0.33950  1.0 3.0
   33    40    44    45   0.00000  1.0 1.0
   33    40    44    49   0.09850  1.0 1.0
   33    40    44    49   0.15250 -1.0 2.0
   33    40    44    49  -0.50650  1.0 3.0
   33    40    60    57   0.09850  1.0 1.0
   33    40    60    57   0.15250 -1.0 2.0
   33    40    60    57  -0.50650  1.0 3.0
   33    40    60    61   0.00000  1.0 1.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    60   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    60   0.34400  1.0 1.0
   38    33    40    60   0.09450 -1.0 2.0
   38    33    40    60   0.11100  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    48    51   2.26350  1.0 1.0
   38    41    48    51   0.76750 -1.0 2.0
   38    41    48    51   0.22500  1.0 3.0
   38    41   -48    66   2.26350  1.0 1.0
   38    41   -48    66   0.76750 -1.0 2.0
   38    41   -48    66   0.22500  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    48   0.00000  1.0 1.0
   39    38    43    66   0.08050  1.0 3.0
   41    38   -43    66  -0.25600  1.0 1.0
   41    38   -43    66  -0.40050 -1.0 2.0
   41    38   -43    66   0.34700  1.0 3.0
   41    48    51    52   3.62500 -1.0 2.0
   41    48    51    55   3.62500 -1.0 2.0
   41    48    66    62   3.62500 -1.0 2.0
   41    48   -66    43   3.62500 -1.0 2.0
   42    41    48    51   1.05000 -1.0 2.0
   42    41    48    66   1.05000 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    59   3.62500 -1.0 2.0
   48    66   -43    38   1.63200 -1.0 2.0
   51    48    66    62   3.62500 -1.0 2.0
   51    48    66    43   3.62500 -1.0 2.0
   51    55   -59    62   3.62500 -1.0 2.0
   51    55    59    64   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   55    59    62    63   3.62500 -1.0 2.0
   55    59    62    66   3.62500 -1.0 2.0
   55    59    64    65   0.84100 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   56    55    59    64   3.62500 -1.0 2.0
   59    62   -66    48   3.62500 -1.0 2.0
   59    62    66    43   3.62500 -1.0 2.0
   62    59    64    65   0.84100 -1.0 2.0
   62    66    43    38   1.63200 -1.0 2.0
   63    62    66    48   3.62500 -1.0 2.0
   63    62    66    43   3.62500 -1.0 2.0
   66    48    51    52   3.62500 -1.0 2.0
   66    48   -51    55   3.62500 -1.0 2.0
   43    38    41    42   0.30150 -1.0 2.0
   43    38   -41    48   0.65300  1.0 1.0
   43    38   -41    48  -0.03850 -1.0 2.0
   43    38   -41    48   0.33900  1.0 3.0
   64    59    62    63   3.62500 -1.0 2.0
   64    59    62    66   3.62500 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41  -0.95700  1.0 1.0
   40    33    38    41  -0.18200 -1.0 2.0
   40    33    38    41   0.29450  1.0 3.0
   40    33    38    43   0.62750  1.0 1.0
   40    33    38    43  -0.30950 -1.0 2.0
   40    33    38    43   0.27300  1.0 3.0
   40    44    49    50   7.00000 -1.0 2.0
   40    44    49    53   7.00000 -1.0 2.0
   44    40    60    57  -0.28300  1.0 1.0
   44    40    60    57   0.26700 -1.0 2.0
   44    40    60    57  -0.63300  1.0 3.0
   44    40    60    61   0.00000  1.0 1.0
   44    40    46    47  -0.07800  1.0 1.0
   44    40    46    47  -0.21500 -1.0 2.0
   44    40    46    47  -0.03150  1.0 3.0
   44    49    53    54   1.00000 -1.0 2.0
   44    49   -53    57  -1.18350  1.0 1.0
   44    49   -53    57   1.45950 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    53   7.00000 -1.0 2.0
   49    53    57    58   0.93700 -1.0 2.0
   49    53    57    60  -1.18350  1.0 1.0
   49    53    57    60   1.45950 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    57   0.93700 -1.0 2.0
   53    57   -60    40   7.00000 -1.0 2.0
   53    57    60    61   7.00000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    60   1.00000 -1.0 2.0
   58    57    60    40   7.00000 -1.0 2.0
   58    57    60    61   7.00000 -1.0 2.0
   60    40    44    45   0.00000  1.0 1.0
   60    40   -44    49  -0.28300  1.0 1.0
   60    40   -44    49   0.26700 -1.0 2.0
   60    40   -44    49  -0.63300  1.0 3.0
   60    40    46    47  -0.07800  1.0 1.0
   60    40    46    47  -0.21500 -1.0 2.0
   60    40    46    47  -0.03150  1.0 3.0
   46    40    44    45   0.00000  1.0 1.0
   46    40    44    49   0.67800  1.0 1.0
   46    40    44    49   0.47050 -1.0 2.0
   46    40    44    49  -0.62500  1.0 3.0
   46    40    60    57   0.67800  1.0 1.0
   46    40    60    57   0.47050 -1.0 2.0
   46    40    60    57  -0.62500  1.0 3.0
   46    40    60    61   0.00000  1.0 1.0
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
   38    48    41    42  10.50000 -1.0 2.0
   51    66    48    41   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
   62    64    59    55   4.00000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   62    43    66    48   4.00000 -1.0 2.0
   40    45    44    49   1.10000 -1.0 2.0
   53    50    49    44   1.10000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   53    58    57    60   1.10000 -1.0 2.0
   40    61    60    57   1.10000 -1.0 2.0
END
