* LIGAND DATABASE FILE (OPLS2005)
*
001      60    61    105    157     301
    1     0 S   NP   _N1_     1    29.17095    95.75484   -24.53030
    2     1 S   H    _HN1     2     1.02946    80.47586    -6.44604
    3     1 S   H    _H1_     3     1.02831    28.11240   154.59895
    4     1 S   H    _H2_     4     1.02789   108.91645  -112.71701
    5     1 S   CT   _CA1     5     1.50120   130.53155   102.35473
    6     5 S   HC   _HA1     6     1.09565   105.20719    82.81887
    7     5 S   CO3  _C1_     7     1.53787   112.45512   -37.51328
    8     7 S   O2Z  _O11     8     1.26378   114.98786   -41.71535
    9     7 S   O2Z  _O12     9     1.26225   114.97640   137.40185
   10     5 S   CT   _CB1    10     1.53058   107.43193  -159.06610
   11    10 S   HC   HB11    11     1.09833   109.47656   -48.36285
   12    10 S   HC   HB12    12     1.09827   110.39851    68.27908
   13    10 S   CT   _CG1    13     1.53016   112.61102  -169.29071
   14    13 S   HC   HG11    14     1.09578   110.63511   -64.38663
   15    13 S   HC   HG12    15     1.09657   109.85219    54.92939
   16    13 S   C    _CD1    16     1.51753   112.09622   175.44861
   17    16 S   O    _OE1    17     1.22747   123.19216     6.53483
   18    16 S   N    _N2_    18     1.38679   111.79542  -173.81693
   19    18 S   H    _HN2    19     1.01571   119.11367     2.31545
   20    18 S   CT1  _CA2    20     1.46099   123.19182   179.94405
   21    20 S   HC   _HA2    21     1.09576   109.18055     2.01110
   22    20 S   C    _C2_    22     1.53515   109.18455  -113.10666
   23    22 S   O    _O2_    23     1.23071   122.15225  -150.41058
   24    20 S   CT   _CB2    32     1.53428   111.87733   124.10578
   25    24 S   HC   HB21    33     1.09658   109.56419    67.27156
   26    24 S   HC   HB22    34     1.09578   110.74293  -175.53744
   27    22 S   N    _N3_    24     1.38292   113.78329    37.09963
   28    27 S   H    _HN3    25     1.01589   119.54306    -3.51363
   29    24 S   S    _SG2    35     1.82785   114.83723   -52.29456
   30    27 S   CT   _CA3    26     1.45283   123.23042   177.01489
   31    30 S   HC   HA31    27     1.09549   107.54217   -63.81117
   32    30 S   HC   HA32    28     1.09556   107.95046    52.62420
   33    29 S   CT   _C13    36     1.82354   100.11413   -65.27714
   34    33 S   HC   _H9_    37     1.09412   108.52120   -63.72198
   35    33 S   HC   _H10    38     1.09348   110.24990    54.03239
   36    30 S   CO3  _C3_    29     1.52958   114.06958   174.60635
   37    36 S   O2Z  _O31    30     1.26376   116.05604    -0.31652
   38    36 S   O2Z  _O32    31     1.26424   114.41735   179.73239
   39    33 S   CM   _C11    39     1.50574   109.70254   173.16620
   40    39 S   CMA  _C12    40     1.35753   124.48661   111.97454
   41    40 S   OM   _O35    41     1.25894   131.88980    -1.33808
   42    39 S   OS   _O34    52     1.39992   113.01009   -70.06013
   43    40 S   NE   _N4_    42     1.37915   118.32160   178.85124
   44    43 S   H    _H8_    43     1.01280   117.70578   176.83003
   45    43 S   CA   _C8_    44     1.40022   122.42875     0.37949
   46    45 S   CA   _C7_    45     1.40665   123.45323  -179.62466
   47    46 S   CA   _C6_    46     1.41092   118.12782   179.32391
   48    47 S   HA   _H6_    47     1.08943   119.61679   179.54630
   49    46 S   CO3  _C14    58     1.51294   122.90531    -0.47642
   50    49 S   O2Z  _O37    59     1.27080   117.89003   -21.27547
   51    49 S   O2Z  _O36    60     1.27195   116.97266   159.01162
   52    47 S   CA   _C5_    48     1.40240   122.07061    -0.01978
   53    52 S   CA   _C10    49     1.39141   119.31572    -0.52414
   54    53 S   HA   _H7_    50     1.08522   122.07360  -179.50465
   55    52 S   OS   _O33    53     1.37025   114.90159   179.70658
   56    45 S   CA   _C9_    51     1.40670   117.25197    -0.96793
   57    55 S   CT   _C4_    54     1.42300   116.67619  -176.96262
   58    57 S   HC   _H3_    55     1.09425   107.76831   178.33411
   59    57 S   HC   _H4_    56     1.09499   111.10218    60.58149
   60    57 S   HC   _H5_    57     1.09495   111.06369   -63.95097
  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
   8   4   3   2   1   1   8   7   4   7   7   3  10   9  10   4
   4   1   1   8   4   2   5   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    43    56    42  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    43    44    45    53    56    42  
   41    43    44    45    46    56    42  
   43    44    45    42  
   43    45    46    52    53    54    56  
   44    45    46    47    53    56    49  
   45    46    56  
   46    47    48    52    53    54    56    49    50    51  
   47    48    52    53    56    55    49    50    51  
   48    52    53    54    56    55    57    49    50    51  
   52    53    55    49  
   50    51    52    56  
   51  
    0  
   53    54    56    55    57    58    59    60  
   54    56    55    57  
   56    55  
   57    58    59    60    56  
    0  
   58    59    60  
   59    60  
   60  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   3.5500   0.0700   0.085000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   440.000  1.360
   40    41   745.000  1.250
   40    43   415.000  1.382
   43    44   434.000  1.010
   43    45   481.000  1.340
   45    46   469.000  1.400
   45    56   469.000  1.400
   46    47   469.000  1.400
   46    49   400.000  1.490
   47    48   367.000  1.080
   47    52   469.000  1.400
   52    53   469.000  1.400
   52    55   450.000  1.364
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    42   450.000  1.364
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   656.000  1.250
   49    51   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    43    75.00000  114.40000
   39    42    56    90.00000  114.30300
   40    43    44    50.00000  121.48000
   40    43    45    75.00000  121.78000
   43    40    41   105.00000  113.92000
   43    45    46    70.00000  120.10000
   43    45    56    70.00000  120.10000
   45    43    44    35.00000  113.50000
   45    46    47    63.00000  120.00000
   45    46    49    85.00000  120.00000
   45    56    53    63.00000  120.00000
   45    56    42    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    52    63.00000  120.00000
   46    49    50    80.00000  120.40000
   46    49    51    80.00000  120.40000
   47    52    53    63.00000  120.00000
   47    52    55    70.00000  120.00000
   52    47    48    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    57    75.00000  111.00000
   53    56    42    70.00000  120.00000
   56    45    46    63.00000  120.00000
   56    53    54    35.00000  120.00000
   42    39    40    80.00000  120.01400
   55    52    53    70.00000  120.00000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    46    47    85.00000  120.00000
   51    49    50    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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    43   7.00000 -1.0 2.0
   33    39    42    56   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.00000  1.0 1.0
   39    40    43    44   1.00000 -1.0 2.0
   39    40    43    45  -0.54500  1.0 1.0
   39    40    43    45   1.14150 -1.0 2.0
   40    39    42    56   2.00000 -1.0 2.0
   40    43    45    46   0.70250  1.0 1.0
   40    43    45    46   1.56150 -1.0 2.0
   40    43   -45    56   0.70250  1.0 1.0
   40    43   -45    56   1.56150 -1.0 2.0
   41    40    43    44   1.00000 -1.0 2.0
   41    40    43    45   1.00000 -1.0 2.0
   43    45    46    47   3.62500 -1.0 2.0
   43    45    46    49   3.62500 -1.0 2.0
   43    45    56    53   3.62500 -1.0 2.0
   43    45    56    42   3.62500 -1.0 2.0
   44    43    45    46   1.00000 -1.0 2.0
   44    43    45    56   1.00000 -1.0 2.0
   45    46    47    48   3.62500 -1.0 2.0
   45    46    47    52   3.62500 -1.0 2.0
   45    46    49    50   1.05000 -1.0 2.0
   45    46    49    51   1.05000 -1.0 2.0
   45    56   -42    39   0.00000  1.0 1.0
   46    45    56    53   3.62500 -1.0 2.0
   46    45    56    42   3.62500 -1.0 2.0
   46    47   -52    53   3.62500 -1.0 2.0
   46    47    52    55   3.62500 -1.0 2.0
   47    46    49    50   1.05000 -1.0 2.0
   47    46    49    51   1.05000 -1.0 2.0
   47    52    53    54   3.62500 -1.0 2.0
   47    52    53    56   3.62500 -1.0 2.0
   47    52    55    57   1.63200 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    55   3.62500 -1.0 2.0
   52    53   -56    45   3.62500 -1.0 2.0
   52    53    56    42   3.62500 -1.0 2.0
   52    55    57    58   0.08050  1.0 3.0
   52    55    57    59   0.08050  1.0 3.0
   52    55    57    60   0.08050  1.0 3.0
   53    52    55    57   1.63200 -1.0 2.0
   53    56    42    39   0.00000  1.0 1.0
   54    53    56    45   3.62500 -1.0 2.0
   54    53    56    42   3.62500 -1.0 2.0
   56    45   -46    47   3.62500 -1.0 2.0
   56    45    46    49   3.62500 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39   -40    43   7.00000 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    46    47    52   3.62500 -1.0 2.0
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
   33    42    39    40   1.10000 -1.0 2.0
   43    41    40    39   1.10000 -1.0 2.0
   44    40    43    45   1.00000 -1.0 2.0
   46    56    45    43   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   52    48    47    46   1.10000 -1.0 2.0
   53    55    52    47   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   53    42    56    45   4.00000 -1.0 2.0
   50    46    49    51  10.50000 -1.0 2.0
END
