* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    157     299
    1     0 S   NP   _N1_     1    28.08164    96.05710   -22.44940
    2     1 S   H    _HN1     2     1.02776   101.97216  -124.65015
    3     1 S   H    _H1_     3     1.02955    80.37594   -17.77961
    4     1 S   H    _H2_     4     1.02834    31.34595   130.54192
    5     1 S   CT   _CA1     5     1.50156   137.44589    91.95946
    6     5 S   HC   _HA1     6     1.09574   105.19545    79.56008
    7     5 S   CO3  _C1_     7     1.53773   112.25740   -40.61040
    8     7 S   O2Z  _O11     8     1.26373   114.99222   -45.28484
    9     7 S   O2Z  _O12     9     1.26221   114.92727   133.61275
   10     5 S   CT   _CB1    10     1.53076   107.39443  -162.55606
   11    10 S   HC   HB11    11     1.09833   109.32029   -50.02020
   12    10 S   HC   HB12    12     1.09814   110.44289    66.51690
   13    10 S   CT   _CG1    13     1.53051   112.71666  -171.03897
   14    13 S   HC   HG11    14     1.09587   110.56917   -65.08957
   15    13 S   HC   HG12    15     1.09657   109.87251    54.15077
   16    13 S   C    _CD1    16     1.51856   112.13633   174.52890
   17    16 S   O    _OE1    17     1.22785   123.22598     4.15629
   18    16 S   N    _N2_    18     1.38537   111.88171  -175.87987
   19    18 S   H    _HN2    19     1.01597   119.27952     2.85115
   20    18 S   CT1  _CA2    20     1.45827   122.72111   178.23964
   21    20 S   HC   _HA2    21     1.09751   108.71256    28.57840
   22    20 S   C    _C2_    22     1.53037   107.31052   -88.31826
   23    22 S   O    _O2_    23     1.22968   123.20595   -24.43954
   24    20 S   CT   _CB2    32     1.53293   112.36573   151.64354
   25    24 S   HC   HB21    33     1.09484   109.67210    54.97308
   26    24 S   HC   HB22    34     1.09411   109.80361   173.57789
   27    22 S   N    _N3_    24     1.38544   112.47508   158.03944
   28    27 S   H    _HN3    25     1.01655   120.28087    -1.95284
   29    24 S   S    _SG2    35     1.82760   110.91421   -65.50596
   30    27 S   CT   _CA3    26     1.45346   122.54439   178.65943
   31    30 S   HC   HA31    27     1.09565   107.92280   -53.73215
   32    30 S   HC   HA32    28     1.09561   107.51764    62.62330
   33    29 S   CT   _C11    36     1.87231   101.59101  -166.53131
   34    30 S   CO3  _C3_    29     1.52896   114.28966  -175.63771
   35    34 S   O2Z  _O31    30     1.26343   116.05547     2.16537
   36    34 S   O2Z  _O32    31     1.26434   114.41866  -177.92481
   37    33 S   CM   _C5_    37     1.52093   108.07287    67.64550
   38    37 S   HC   _H17    38     1.08898   118.59804    37.10141
   39    33 S   CO3  _C7_    54     1.57653   101.06944   176.60177
   40    39 S   O2Z  _O10    55     1.26906   116.70202   -62.10408
   41    39 S   O2Z  _O34    56     1.26328   115.89245   119.42237
   42    37 S   CM   _C4_    39     1.33898   123.70982  -143.18232
   43    42 S   HC   _H16    40     1.08659   118.69235   178.96505
   44    42 S   CT   _C8_    41     1.49457   123.47018    -0.53082
   45    44 S   HC   _H18    42     1.09697   108.45353   113.91267
   46    44 S   CT   _C10    43     1.54066   114.37875    -9.13400
   47    46 S   HC   _H20    44     1.09622   110.27207   -86.76180
   48    44 S   OH   _O13    52     1.42922   109.10218  -130.47739
   49    48 S   HO   _H21    53     0.97195   107.75343   -57.79210
   50    33 S   CT   _C9_    45     1.55815   112.94489   -56.20426
   51    50 S   HC   _H19    46     1.09999   108.98315    52.86664
   52    46 S   OH   _O14    50     1.43655   106.66963   158.17014
   53    52 S   HO   _H22    51     0.97177   108.02901   -72.28256
   54    50 S   CO3  _C6_    47     1.55474   115.07245   -63.18647
   55    54 S   O2Z  _O9_    48     1.26635   114.59588    74.44748
   56    54 S   O2Z  _O33    49     1.26225   117.02263  -108.33225
  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
  16   2   1   1  13   5   7   2   1   9   4  10   6  10   6   3
   1   6   4   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    51    54    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    50    51    54    55    56    52    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    51    54    48    39    40    41  
   42    43    44    50    39  
   40    41    42    46    50    51    54  
   41    50  
   50  
   43    44    45    46    47    50    52    48    49  
   44    45    46    48  
   45    46    47    50    51    54    52    53    48    49  
   46    47    50    52    48    49  
   47    50    51    54    55    56    52    53    48    49  
   50    51    54    52    53    48  
   49    50    52  
    0  
   51    54    55    56    52    53  
   54    55    56    52  
   53    54  
    0  
   55    56  
   56  
    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   0.067500   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    50   268.000  1.529
   33    39   317.000  1.522
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    54   317.000  1.522
   54    55   656.000  1.250
   54    56   656.000  1.250
   52    53   553.000  0.945
   48    49   553.000  0.945
   39    40   656.000  1.250
   39    41   656.000  1.250
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    50    75.00000  111.63000
   29    33    39    70.00000  116.78000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    54    70.00000  109.69300
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   37    42    43    35.00000  120.00000
   37    42    44    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    90.00000  110.39200
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    52    50.00000  109.50000
   44    48    49    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    70.00000  109.69300
   46    52    53    55.00000  108.50000
   50    33    37    70.00000  112.02700
   50    46    47    37.50000  110.70000
   50    54    55    70.00000  117.00000
   50    54    56    70.00000  117.00000
   54    50    51    35.00000  109.50000
   56    54    55    80.00000  126.00000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   39    33    37    65.00000  111.94000
   39    33    50    70.00000  109.69300
   41    39    40    80.00000  126.00000
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    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    54    55   0.41150 -1.0 2.0
   33    50    54    56   0.41150 -1.0 2.0
   37    33    50    46   0.34400  1.0 1.0
   37    33    50    46   0.09450 -1.0 2.0
   37    33    50    46   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    54  -0.98800  1.0 1.0
   37    33    50    54   0.48800 -1.0 2.0
   37    33    50    54   0.76800  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    42    44    45   0.00000  1.0 1.0
   37    42   -44    46   0.09850  1.0 1.0
   37    42   -44    46   0.15250 -1.0 2.0
   37    42   -44    46  -0.50650  1.0 3.0
   37    42    44    48   0.67800  1.0 1.0
   37    42    44    48   0.47050 -1.0 2.0
   37    42    44    48  -0.62500  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    50   0.34400  1.0 1.0
   42    44    46    50   0.09450 -1.0 2.0
   42    44    46    50   0.11100  1.0 3.0
   42    44    46    52   1.05650  1.0 1.0
   42    44    46    52   0.15600 -1.0 2.0
   42    44    46    52   0.53150  1.0 3.0
   42    44    48    49  -0.07800  1.0 1.0
   42    44    48    49  -0.21500 -1.0 2.0
   42    44    48    49  -0.03150  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   44    46   -50    33   0.56750  1.0 1.0
   44    46   -50    33  -0.07550 -1.0 2.0
   44    46   -50    33   0.20000  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54  -1.63150  1.0 1.0
   44    46    50    54  -0.43550 -1.0 2.0
   44    46    50    54   0.24500  1.0 3.0
   44    46    52    53  -0.11600  1.0 1.0
   44    46    52    53  -0.09450 -1.0 2.0
   44    46    52    53   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    52   0.23400  1.0 3.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49  -0.11600  1.0 1.0
   46    44    48    49  -0.09450 -1.0 2.0
   46    44    48    49   0.21250  1.0 3.0
   46    50    54    55   0.41150 -1.0 2.0
   46    50    54    56   0.41150 -1.0 2.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54  -0.11250  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    40   0.41150 -1.0 2.0
   50    33    39    41   0.41150 -1.0 2.0
   50    46    52    53  -0.11600  1.0 1.0
   50    46    52    53  -0.09450 -1.0 2.0
   50    46    52    53   0.21250  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   52    46    50    33   0.86500  1.0 1.0
   52    46    50    33  -0.17500 -1.0 2.0
   52    46    50    33   0.20800  1.0 3.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    54  -5.33000  1.0 1.0
   52    46    50    54  -0.54250 -1.0 2.0
   52    46    50    54  -0.07300  1.0 3.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    50   0.86500  1.0 1.0
   48    44    46    50  -0.17500 -1.0 2.0
   48    44    46    50   0.20800  1.0 3.0
   48    44    46    52   3.75450  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42  -0.51250  1.0 1.0
   39    33    37    42  -0.88800 -1.0 2.0
   39    33    37    42   0.08850  1.0 3.0
   39    33    50    46  -1.63150  1.0 1.0
   39    33    50    46  -0.43550 -1.0 2.0
   39    33    50    46   0.24500  1.0 3.0
   39    33    50    51  -0.11250  1.0 3.0
   39    33    50    54  -0.30950  1.0 1.0
   39    33    50    54   1.11150 -1.0 2.0
   39    33    50    54   0.40350  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   55    50    54    56  10.50000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
END
