* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    105    144     296
    1     0 S   NP   _N1_     1    30.19586    99.33660   -20.00350
    2     1 S   H    _HN1     2     1.03260    63.96398   125.88189
    3     1 S   H    _H1_     3     1.03412   138.35849  -150.34133
    4     1 S   H    _H2_     4     1.02716    48.69627   -80.27148
    5     1 S   CT   _CA1     5     1.49639   109.33497    22.26597
    6     5 S   HC   _HA1     6     1.09449   104.98025   117.93477
    7     5 S   CO3  _C1_     7     1.53633   113.17107    -2.10348
    8     7 S   O2Z  _O11     8     1.26424   115.11802   -40.39943
    9     7 S   O2Z  _O12     9     1.26332   115.04726   139.28405
   10     5 S   CT   _CB1    10     1.52993   107.91200  -124.48931
   11    10 S   HC   HB11    11     1.09629   109.51124   -45.79339
   12    10 S   HC   HB12    12     1.09786   110.77340    70.45455
   13    10 S   CT   _CG1    13     1.52962   111.72215  -167.93705
   14    13 S   HC   HG11    14     1.09580   110.60072   -83.60474
   15    13 S   HC   HG12    15     1.09576   111.00680    34.96288
   16    13 S   C    _CD1    16     1.51284   111.77609   155.08813
   17    16 S   O    _OE1    17     1.22792   121.88864   104.85326
   18    16 S   N    _N2_    18     1.38497   112.57400   -75.78350
   19    18 S   H    _HN2    19     1.02091   119.06176     5.04741
   20    18 S   CT1  _CA2    20     1.45993   123.56667  -176.42949
   21    20 S   HC   _HA2    21     1.09696   109.25449    -5.12036
   22    20 S   C    _C2_    22     1.53523   109.34808  -121.47490
   23    22 S   O    _O2_    23     1.23102   121.80652  -153.21402
   24    20 S   CT   _CB2    32     1.53536   111.29460   116.56726
   25    24 S   HC   HB21    33     1.09406   109.50471    64.64388
   26    24 S   HC   HB22    34     1.09546   110.35070  -177.96645
   27    22 S   N    _N3_    24     1.38324   113.97138    33.99074
   28    27 S   H    _HN3    25     1.01472   118.92186    -1.67117
   29    24 S   S    _SG2    35     1.83053   112.01620   -58.40500
   30    27 S   CT   _CA3    26     1.45380   123.44257   176.55213
   31    30 S   HC   HA31    27     1.09539   108.98002    28.65830
   32    30 S   HC   HA32    28     1.09499   107.16370   145.50534
   33    29 S   CT   _C8_    36     1.83258   100.14450   139.22270
   34    33 S   F    F1__    37     1.36635   107.97492    57.43892
   35    33 S   F    F2__    38     1.36653   107.64882   170.04223
   36    30 S   CO3  _C3_    29     1.52915   113.24444   -94.72007
   37    36 S   O2Z  _O31    30     1.26408   115.49643   -45.23878
   38    36 S   O2Z  _O32    31     1.26385   115.00208   135.66888
   39    33 S   CQ   _C7_    39     1.51062   112.27420   -67.27586
   40    39 S   NB   _N5_    40     1.34706   117.21054   112.33550
   41    40 S   CA   _C4_    41     1.34564   115.74087  -178.48122
   42    41 S   HA   _H3_    42     1.08611   114.39299   179.70326
   43    41 S   CA   _C5_    43     1.38589   124.37921     0.05935
   44    43 S   CA   _C6_    44     1.39253   115.66748    -0.07402
   45    43 S   CT   _C9_    49     1.49925   120.24781   179.98022
   46    45 S   HC   _H6_    50     1.09558   110.50210     1.06991
   47    45 S   HC   _H7_    51     1.09522   109.91337   119.29841
   48    39 S   NB   _N4_    45     1.35245   117.93309   -67.18849
   49    44 S   NE   _N6_    46     1.39225   120.57573  -177.96126
   50    49 S   H    _H4_    47     1.01395   118.03444   -33.86298
   51    49 S   H    _H5_    48     1.01238   116.51678   179.56840
   52    45 S   OS   _O33    52     1.42151   110.19300  -121.08457
   53    52 S   P2   _P1_    53     1.63283   119.49867   132.67181
   54    53 S   O2Z  _O35    54     1.51331   109.10543    39.70539
   55    53 S   O2Z  _O34    55     1.51317   108.28631   172.23348
   56    53 S   OS   _O36    56     1.62905    99.63219   -73.89407
   57    56 S   P2   _P2_    57     1.62576   131.11056   -65.93157
   58    57 S   O2Z  _O39    58     1.51065   109.55421    68.79487
   59    57 S   O2Z  _O37    59     1.51173   109.82044   -65.89154
   60    57 S   OS   _O38    60     1.62950    98.66724  -179.05643
   61    60 S   HO   _H8_    61     0.97868   116.33606   -82.34711
  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   6   5   4   3
   7   4   3   2   1   1   7   6   9   3  10   8   9   3   2   3
   2   1   1   5   7   3   2   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    48    49  
   41    42    43    44    48    45  
   42    43    44    48    49    45    46    47    52  
   43    44    45  
   44    48    49    50    51    45    46    47    52    53  
   48    49    50    51    45    46    47    52  
   46    47    52    53    54    55    56    48    49  
   47    52    53  
   52    53  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    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  -0.175000   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   3.2500   0.0620   0.362500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   40   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   41   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.527800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300  -0.130200   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300  -0.130200   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   49   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.8500   0.1400  -0.562400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   502.000  1.324
   39    48   502.000  1.324
   40    41   483.000  1.339
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   469.000  1.400
   43    45   317.000  1.510
   44    48   483.000  1.339
   44    49   481.000  1.340
   49    50   434.000  1.010
   49    51   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    75.00000  115.74700
   33    39    48    75.00000  115.74700
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    70.00000  118.60000
   39    48    44    70.00000  118.60000
   40    41    42    35.00000  116.00000
   40    41    43    70.00000  124.00000
   41    43    44    63.00000  120.00000
   41    43    45    70.00000  120.00000
   43    41    42    35.00000  120.00000
   43    44    48    70.00000  124.00000
   43    44    49    70.00000  120.10000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    52    85.00000  111.85700
   44    49    50    35.00000  113.50000
   44    49    51    35.00000  113.50000
   48    39    40    70.00000  129.10000
   49    44    48    80.00000  117.25000
   51    49    50    35.00000  109.00000
   45    43    44    70.00000  120.00000
   45    52    53   100.00000  120.50000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40   0.04300 -1.0 2.0
   29    33    39    48   0.04300 -1.0 2.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    48    44   3.62500 -1.0 2.0
   34    33    39    40   0.21350  1.0 3.0
   34    33    39    48   0.21350  1.0 3.0
   35    33    39    40   0.21350  1.0 3.0
   35    33    39    48   0.21350  1.0 3.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    43   3.62500 -1.0 2.0
   40    39    48    44   3.62500 -1.0 2.0
   40    41   -43    44   3.62500 -1.0 2.0
   40    41    43    45   3.62500 -1.0 2.0
   41    43    44    48   3.62500 -1.0 2.0
   41    43    44    49   3.62500 -1.0 2.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    47   0.00000  1.0 1.0
   41    43    45    52   0.64500  1.0 1.0
   41    43    45    52   0.14800 -1.0 2.0
   41    43    45    52   0.20650  1.0 3.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    44   -48    39   3.62500 -1.0 2.0
   43    44    49    50   1.00000 -1.0 2.0
   43    44    49    51   1.00000 -1.0 2.0
   43    45    52    53  -3.16900  1.0 1.0
   43    45    52    53  -1.64300 -1.0 2.0
   43    45    52    53  -0.06350  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    52   0.64500  1.0 1.0
   44    43    45    52   0.14800 -1.0 2.0
   44    43    45    52   0.20650  1.0 3.0
   48    39   -40    41   3.62500 -1.0 2.0
   48    44    49    50   1.75000 -1.0 2.0
   48    44    49    51   1.75000 -1.0 2.0
   49    44    48    39   3.62500 -1.0 2.0
   45    43    44    48   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    52    53    54   0.00000  1.0 1.0
   45    52    53    55   0.00000  1.0 1.0
   45    52    53    56   0.05050  1.0 1.0
   45    52    53    56  -1.30700 -1.0 2.0
   45    52    53    56   0.91550  1.0 3.0
   46    45    52    53   0.03000  1.0 3.0
   47    45    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   43    42    41    40   1.10000 -1.0 2.0
   44    45    43    41   4.00000 -1.0 2.0
   48    49    44    43   4.00000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
