* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    157     302
    1     0 S   NP   _N1_     1    29.42186    92.82921   -23.40394
    2     1 S   H    _HN1     2     1.02958    95.97486    16.44029
    3     1 S   H    _H1_     3     1.02833    14.03363   159.21827
    4     1 S   H    _H2_     4     1.02777   104.35296   -94.24520
    5     1 S   CT   _CA1     5     1.50123   123.76361   135.85507
    6     5 S   HC   _HA1     6     1.09574   105.22666    65.10011
    7     5 S   CO3  _C1_     7     1.53788   112.38442   -55.10470
    8     7 S   O2Z  _O11     8     1.26362   115.00233   -43.43141
    9     7 S   O2Z  _O12     9     1.26239   114.91720   135.70258
   10     5 S   CT   _CB1    10     1.53081   107.41770  -176.98325
   11    10 S   HC   HB11    11     1.09825   109.32657   -50.54486
   12    10 S   HC   HB12    12     1.09825   110.41580    66.00072
   13    10 S   CT   _CG1    13     1.53015   112.70137  -171.65073
   14    13 S   HC   HG11    14     1.09594   110.43108   -63.70002
   15    13 S   HC   HG12    15     1.09645   110.02953    55.57034
   16    13 S   C    _CD1    16     1.51777   112.23834   175.88672
   17    16 S   O    _OE1    17     1.22734   123.26054    -3.25263
   18    16 S   N    _N2_    18     1.38664   111.72733   177.09296
   19    18 S   H    _HN2    19     1.01578   119.04423     2.56376
   20    18 S   CT1  _CA2    20     1.46003   123.30719  -178.99128
   21    20 S   HC   _HA2    21     1.09539   109.37388     0.66617
   22    20 S   C    _C2_    22     1.53459   109.08516  -114.35764
   23    22 S   O    _O2_    23     1.23052   122.05036  -145.86287
   24    20 S   CT   _CB2    32     1.53380   111.72739   122.92092
   25    24 S   HC   HB21    33     1.09697   109.24924    64.99686
   26    24 S   HC   HB22    34     1.09459   110.83171  -178.69704
   27    22 S   N    _N3_    24     1.38449   113.62346    41.83801
   28    27 S   H    _HN3    25     1.01475   119.07446    -0.58917
   29    24 S   S    _SG2    35     1.83216   115.68351   -54.21669
   30    27 S   CT   _CA3    26     1.45428   123.23563   174.35083
   31    30 S   HC   HA31    27     1.09535   109.01046    29.09233
   32    30 S   HC   HA32    28     1.09486   107.19112   146.11854
   33    29 S   CT   _C12    36     1.85249   101.82771   -59.56362
   34    33 S   HC   _H3_    37     1.09302   107.23662    49.99759
   35    30 S   CO3  _C3_    29     1.52966   113.24292   -94.17078
   36    35 S   O2Z  _O31    30     1.26393   115.50830   -41.58740
   37    35 S   O2Z  _O32    31     1.26368   114.90827   139.31265
   38    33 S   CT   _C10    38     1.53829   107.42998   165.61579
   39    38 S   HC   _H20    39     1.09580   112.33684    53.59492
   40    38 S   HC   _H21    40     1.09394   110.72660   174.54688
   41    33 S   CT   _C11    43     1.54535   110.31964   -70.96582
   42    41 S   HC   _H22    44     1.09591   110.99434    48.67784
   43    38 S   OH   _O13    41     1.42551   110.00720   -67.76160
   44    43 S   HO   _H24    42     0.97236   107.11354   179.13952
   45    41 S   CA   _C8_    45     1.51942   112.13279   167.07553
   46    41 S   OH   _O14    58     1.42778   110.74807   -68.75095
   47    46 S   HO   _H25    59     0.97319   107.05742    56.19374
   48    45 S   CA   _C4_    46     1.40395   122.24560   102.45444
   49    48 S   HA   _H16    47     1.08747   120.57538     0.28186
   50    48 S   CA   _C6_    48     1.39702   120.87230  -179.43594
   51    50 S   HA   _H18    49     1.08668   118.76747  -179.71129
   52    50 S   CA   _C9_    50     1.39668   119.30404     0.02798
   53    52 S   CA   _C7_    51     1.39615   120.98034     0.04423
   54    53 S   HA   _H19    52     1.08664   122.00664   179.56749
   55    52 S   NO2  _N10    55     1.45813   119.50306   179.97202
   56    55 S   ON   _O33    56     1.23867   117.67745   -21.32844
   57    55 S   ON   _O34    57     1.23863   117.69113   158.64418
   58    45 S   CA   _C5_    53     1.40612   119.08307   -76.85947
   59    58 S   HA   _H17    54     1.08820   120.15672    -0.42475
  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
  13   8   2   1   1   8   4   3  11   5   1   1  11   3   1   8
   4   8   3   7   6   3   3   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    41    42    45    48    58    46    47  
   38    39    40    43    41    42    45    46  
   36    37  
   37  
    0  
   39    40    43    44    41    42    45    46  
   40    43    44    41  
   43    44    41  
   42    45    48    49    50    53    58    59    46    47    43  
   45    48    58    46    47  
   44  
    0  
   48    49    50    51    52    53    54    58    59    46    47  
   47    48    58  
    0  
   49    50    51    52    53    58    59    55  
   50    51    52    58  
   51    52    53    54    58    55    56    57  
   52    53    55  
   53    54    58    59    55    56    57  
   54    58    59    55    56    57  
   58    59    55  
   56    57    58  
   57  
    0  
   59  
    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   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    44   553.000  0.945
   41    42   340.000  1.090
   41    45   317.000  1.510
   41    46   320.000  1.410
   45    48   469.000  1.400
   45    58   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   400.000  1.460
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   55    56   550.000  1.225
   55    57   550.000  1.225
   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    45    70.00000  112.17500
   33    41    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    55.00000  108.50000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    48    70.00000  120.00000
   41    45    58    70.00000  120.00000
   41    46    47    55.00000  108.50000
   45    41    42    35.00000  109.50000
   45    48    49    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    58    53    63.00000  120.00000
   45    58    59    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    85.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    80.00000  117.50000
   52    55    57    80.00000  117.50000
   53    58    59    35.00000  120.00000
   58    45    48    63.00000  120.00000
   58    53    54    35.00000  120.00000
   55    52    53    85.00000  120.00000
   57    55    56    80.00000  125.30000
   46    41    42    35.00000  109.50000
   46    41    45    90.00000  112.51600
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  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    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    41    45    48   0.04150 -1.0 2.0
   33    41    45    58   0.04150 -1.0 2.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.43200  1.0 3.0
   34    33    41    46   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.03700  1.0 1.0
   38    33    41    45   0.37200 -1.0 2.0
   38    33    41    45  -0.47300  1.0 3.0
   38    33    41    46   0.86500  1.0 1.0
   38    33    41    46  -0.17500 -1.0 2.0
   38    33    41    46   0.20800  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44   0.19450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.86500  1.0 1.0
   41    33    38    43  -0.17500 -1.0 2.0
   41    33    38    43   0.20800  1.0 3.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45    48    50   3.62500 -1.0 2.0
   41    45    58    53   3.62500 -1.0 2.0
   41    45    58    59   3.62500 -1.0 2.0
   42    41    45    48   0.00000  1.0 1.0
   42    41    45    58   0.00000  1.0 1.0
   42    41    46    47   0.19450  1.0 3.0
   45    41    46    47   0.31900  1.0 1.0
   45    41    46    47  -0.11800 -1.0 2.0
   45    41    46    47   0.38750  1.0 3.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    52   3.62500 -1.0 2.0
   48    45    58    53   3.62500 -1.0 2.0
   48    45    58    59   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    58   3.62500 -1.0 2.0
   50    52    55    56   0.69950 -1.0 2.0
   50    52    55    57   0.69950 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53   -58    45   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   53    52    55    56   0.69950 -1.0 2.0
   53    52    55    57   0.69950 -1.0 2.0
   54    53    58    45   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   58    45    48    49   3.62500 -1.0 2.0
   58    45   -48    50   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   46    41    45    48   0.14300 -1.0 2.0
   46    41    45    48   0.00300  1.0 3.0
   46    41    45    58   0.14300 -1.0 2.0
   46    41    45    58   0.00300  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
   37    30    35    36  10.50000 -1.0 2.0
   48    58    45    41   4.00000 -1.0 2.0
   50    49    48    45   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   53    59    58    45   1.10000 -1.0 2.0
   57    52    55    56  10.50000 -1.0 2.0
END
