* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    117    191     347
    1     0 S   NP   _N1_     1    28.86147    93.89979   -21.00570
    2     1 S   H    _HN1     2     1.02854    95.42795     4.50915
    3     1 S   H    _H1_     3     1.02974    32.47155   118.46276
    4     1 S   H    _H2_     4     1.02788    83.72539  -103.31642
    5     1 S   CT   _CA1     5     1.50566   141.09559   138.87673
    6     5 S   HC   _HA1     6     1.09677   104.62696    52.33900
    7     5 S   CO3  _C1_     7     1.54481   110.85569   -63.48195
    8     7 S   O2Z  _O11     8     1.26107   116.82553  -122.59503
    9     7 S   O2Z  _O12     9     1.26562   113.73885    56.54441
   10     5 S   CT   _CB1    10     1.53064   106.98523   168.51583
   11    10 S   HC   HB11    11     1.09837   110.08305   -41.05794
   12    10 S   HC   HB12    12     1.09792   109.98538    75.52241
   13    10 S   CT   _CG1    13     1.53111   112.54124  -161.71731
   14    13 S   HC   HG11    14     1.09460   110.88289   -53.66984
   15    13 S   HC   HG12    15     1.09633   109.99424    65.33966
   16    13 S   C    _CD1    16     1.51772   111.84340  -174.58543
   17    16 S   O    _OE1    17     1.22763   123.09831   -10.33217
   18    16 S   N    _N2_    18     1.38606   111.91015   169.91346
   19    18 S   H    _HN2    19     1.01593   119.19670     2.28062
   20    18 S   CT1  _CA2    20     1.46264   123.10047  -176.27191
   21    20 S   HC   _HA2    21     1.09721   109.38551    -9.36582
   22    20 S   C    _C2_    22     1.53353   108.77812  -125.35555
   23    22 S   O    _O2_    23     1.23028   122.10567  -147.14190
   24    20 S   CT   _CB2    32     1.53472   111.22906   112.32273
   25    24 S   HC   HB21    33     1.09375   109.34873    60.92353
   26    24 S   HC   HB22    34     1.09525   110.58875   178.78147
   27    22 S   N    _N3_    24     1.38464   113.46647    40.23380
   28    27 S   H    _HN3    25     1.01523   118.90913    -0.68500
   29    24 S   S    _SG2    35     1.83032   111.53971   -61.75681
   30    27 S   CT   _CA3    26     1.45453   123.50707   175.18171
   31    30 S   HC   HA31    27     1.09518   109.32226    22.79125
   32    30 S   HC   HA32    28     1.09498   107.10386   139.79834
   33    29 S   CT   _C18    36     1.85069   100.46211   146.13709
   34    33 S   HC   _H3_    37     1.09752   105.28587    52.71362
   35    30 S   CO3  _C3_    29     1.52914   113.04134  -100.74959
   36    35 S   O2Z  _O31    30     1.26406   115.36835   -45.54415
   37    35 S   O2Z  _O32    31     1.26350   115.00869   135.37820
   38    33 S   CA   _C10    38     1.51964   111.21332   -66.40792
   39    33 S   CT   _C17    51     1.54192   109.13655   168.60693
   40    39 S   HC   _H28    52     1.09685   113.27036    61.98665
   41    38 S   CA   _C5_    39     1.40599   119.28905   120.28537
   42    41 S   HA   _H24    40     1.08772   120.31519    -0.07133
   43    39 S   CO4  _C16    53     1.51897   112.89672  -174.10705
   44    43 S   O    _O16    54     1.21585   128.21728   -61.51685
   45    39 S   OS   _O17    63     1.46047   109.71310   -58.26960
   46    41 S   CA   _C7_    41     1.39606   120.94064   179.90513
   47    46 S   HA   _H26    42     1.08612   119.37600   179.95577
   48    43 S   CA   _C9_    55     1.43688   107.64533   119.08074
   49    46 S   CA   _C13    43     1.39197   119.64502    -0.04846
   50    48 S   CA   _C4_    56     1.38122   130.96082  -179.93439
   51    50 S   HA   _H23    57     1.08402   121.74222    -0.08847
   52    49 S   CA   _C14    44     1.39209   120.17517    -0.11364
   53    49 S   OH   _O19    49     1.36723   120.43743   179.80021
   54    53 S   HO   _H31    50     0.97192   108.74494     0.72685
   55    50 S   CA   _C6_    58     1.39667   117.18052   179.89347
   56    55 S   HA   _H25    59     1.08679   119.24082  -180.00000
   57    38 S   CA   _C8_    45     1.40545   122.06484   -60.26196
   58    57 S   HA   _H27    46     1.08735   120.16259     0.13848
   59    52 S   OH   _O20    47     1.36704   119.04286   179.83929
   60    59 S   HO   _H32    48     0.97602   109.29596  -175.87787
   61    55 S   CA   _C12    60     1.40687   120.21287    -0.00000
   62    61 S   CA   _C15    61     1.39664   120.84436     0.01978
   63    61 S   OH   _O18    66     1.36840   120.13426  -179.98022
   64    63 S   HO   _H30    67     0.97209   108.78042    -0.05234
   65    48 S   CA   _C11    62     1.37594   105.80470    -0.00000
   66    62 S   OH   _O21    64     1.36284   120.40509  -179.94405
   67    66 S   HO   _H33    65     0.97360   107.78753  -179.91607
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13  10   5   8   4   8   4   6   7   3   8
   7   7   4   6   3   1   7   3   3   1   1   1   6   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    52    57    58    39    40    43    44    48    65    45  
   38    41    57    39    40    43    45  
   36    37  
   37  
    0  
   41    42    46    47    49    52    57    58    59    39    40    43    45  
   40    43    44    48    50    62    65    45    41    57  
   43    44    48    65    45  
   42    46    47    49    52    57    58    53  
   46    47    49    57  
   44    48    50    51    55    62    65    45  
   48    50    65    45  
   66    48    50    61    62    65  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    61    62    65    66  
   52    57    58    59    60    53    54  
   51    55    56    61    62    65    63  
   55    56    61    65  
   57    58    59    60    53    54  
   54    57    59  
    0  
   56    61    62    65    66    63    64  
   61    62    63  
   58    59    60  
   59  
   60  
    0  
   62    65    66    67    63    64  
   65    66    67    63    64  
   64    65    66  
    0  
   66    67  
   67  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   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    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    39   268.000  1.529
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    60   553.000  0.945
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    45   320.000  1.410
   43    44   570.000  1.229
   43    48   310.000  1.470
   48    50   469.000  1.400
   48    65   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    45   450.000  1.364
   66    67   553.000  0.945
   63    64   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    45    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    49    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    60    35.00000  113.00000
   57    38    41    63.00000  120.00000
   59    52    57    70.00000  120.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    48    65.00000  115.47100
   39    45    65    75.00000  111.00000
   43    39    40    35.00000  109.50000
   43    48    50    60.00000  119.52600
   43    48    65    60.00000  119.52600
   48    43    44    75.00000  123.78400
   48    50    51    35.00000  120.00000
   48    50    55    63.00000  120.00000
   48    65    62    63.00000  120.00000
   48    65    45    70.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    61    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    61    62    63.00000  120.00000
   55    61    63    70.00000  120.00000
   61    55    56    35.00000  120.00000
   61    62    65    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    64    35.00000  113.00000
   62    65    45    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    48    50    63.00000  120.00000
   45    39    40    35.00000  109.50000
   45    39    43    90.00000  108.74100
   66    62    65    70.00000  120.00000
   63    61    62    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    48   0.05850 -1.0 2.0
   33    39    43    48   0.17250  1.0 3.0
   33    39    45    65  -0.32850  1.0 1.0
   33    39    45    65  -0.35800 -1.0 2.0
   33    39    45    65   0.33950  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    45   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45  -0.64350  1.0 1.0
   38    33    39    45  -0.04200 -1.0 2.0
   38    33    39    45   0.19800  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    49   3.62500 -1.0 2.0
   41    38    57    52   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    46   -49    52   3.62500 -1.0 2.0
   41    46    49    53   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    60   0.84100 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    46   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    43    48    50   2.26350  1.0 1.0
   39    43    48    50   0.76750 -1.0 2.0
   39    43    48    50   0.22500  1.0 3.0
   39    43   -48    65   2.26350  1.0 1.0
   39    43   -48    65   0.76750 -1.0 2.0
   39    43   -48    65   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    48   0.00000  1.0 1.0
   40    39    45    65   0.08050  1.0 3.0
   43    39   -45    65  -0.25600  1.0 1.0
   43    39   -45    65  -0.40050 -1.0 2.0
   43    39   -45    65   0.34700  1.0 3.0
   43    48    50    51   3.62500 -1.0 2.0
   43    48    50    55   3.62500 -1.0 2.0
   43    48    65    62   3.62500 -1.0 2.0
   43    48   -65    45   3.62500 -1.0 2.0
   44    43    48    50   1.05000 -1.0 2.0
   44    43    48    65   1.05000 -1.0 2.0
   48    50    55    56   3.62500 -1.0 2.0
   48    50    55    61   3.62500 -1.0 2.0
   48    65   -45    39   1.63200 -1.0 2.0
   50    48    65    62   3.62500 -1.0 2.0
   50    48    65    45   3.62500 -1.0 2.0
   50    55   -61    62   3.62500 -1.0 2.0
   50    55    61    63   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    61   3.62500 -1.0 2.0
   55    61    62    65   3.62500 -1.0 2.0
   55    61    62    66   3.62500 -1.0 2.0
   55    61    63    64   0.84100 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    63   3.62500 -1.0 2.0
   61    62   -65    48   3.62500 -1.0 2.0
   61    62    65    45   3.62500 -1.0 2.0
   61    62    66    67   0.84100 -1.0 2.0
   62    61    63    64   0.84100 -1.0 2.0
   62    65    45    39   1.63200 -1.0 2.0
   65    48    50    51   3.62500 -1.0 2.0
   65    48   -50    55   3.62500 -1.0 2.0
   65    62    66    67   0.84100 -1.0 2.0
   45    39    43    44   0.30150 -1.0 2.0
   45    39   -43    48   0.65300  1.0 1.0
   45    39   -43    48  -0.03850 -1.0 2.0
   45    39   -43    48   0.33900  1.0 3.0
   66    62    65    48   3.62500 -1.0 2.0
   66    62    65    45   3.62500 -1.0 2.0
   63    61    62    65   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   49    47    46    41   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    43    44  10.50000 -1.0 2.0
   50    65    48    43   4.00000 -1.0 2.0
   55    51    50    48   1.10000 -1.0 2.0
   61    56    55    50   1.10000 -1.0 2.0
   62    63    61    55   4.00000 -1.0 2.0
   65    66    62    61   4.00000 -1.0 2.0
   62    45    65    48   4.00000 -1.0 2.0
END
