* LIGAND DATABASE FILE (OPLS2005)
*
001      56    57     97    155     285
    1     0 S   NP   _N1_     1    28.59937    93.68793   -23.39144
    2     1 S   H    _HN1     2     1.02963    87.32948    32.45806
    3     1 S   H    _H1_     3     1.02838    21.86389  -172.92621
    4     1 S   H    _H2_     4     1.02779   106.49529   -75.87739
    5     1 S   CT   _CA1     5     1.50121   128.37180   146.54236
    6     5 S   HC   _HA1     6     1.09576   105.22901    74.15239
    7     5 S   CO3  _C1_     7     1.53785   112.38811   -46.03953
    8     7 S   O2Z  _O11     8     1.26358   114.99852   -43.79472
    9     7 S   O2Z  _O12     9     1.26240   114.91763   135.37051
   10     5 S   CT   _CB1    10     1.53101   107.43307  -167.95456
   11    10 S   HC   HB11    11     1.09824   109.31542   -50.95443
   12    10 S   HC   HB12    12     1.09820   110.41629    65.58682
   13    10 S   CT   _CG1    13     1.53013   112.68811  -172.07477
   14    13 S   HC   HG11    14     1.09601   110.42082   -63.98163
   15    13 S   HC   HG12    15     1.09651   109.99919    55.23864
   16    13 S   C    _CD1    16     1.51822   112.33424   175.57659
   17    16 S   O    _OE1    17     1.22721   123.28016    -2.50483
   18    16 S   N    _N2_    18     1.38628   111.63435   177.68176
   19    18 S   H    _HN2    19     1.01594   118.99846     1.08408
   20    18 S   CT1  _CA2    20     1.46197   123.40234  -179.82306
   21    20 S   HC   _HA2    21     1.09734   109.39863    -9.46685
   22    20 S   C    _C2_    22     1.53439   108.36869  -125.08511
   23    22 S   O    _O2_    23     1.23021   122.21981  -145.69265
   24    20 S   CT   _CB2    32     1.53348   111.49061   112.60300
   25    24 S   HC   HB21    33     1.09661   109.98010    55.32105
   26    24 S   HC   HB22    34     1.09523   110.30962   174.01349
   27    22 S   N    _N3_    24     1.38506   113.41773    41.69225
   28    27 S   H    _HN3    25     1.01515   118.94785    -0.57845
   29    24 S   S    _SG2    35     1.83001   111.73639   -65.80113
   30    27 S   CT   _CA3    26     1.45448   123.41690   175.05593
   31    30 S   HC   HA31    27     1.09525   109.21326    25.08930
   32    30 S   HC   HA32    28     1.09495   107.13470   142.09584
   33    29 S   CA   _C9_    36     1.79181    99.37650   168.98170
   34    30 S   CO3  _C3_    29     1.52926   113.10576   -98.36456
   35    34 S   O2Z  _O31    30     1.26403   115.40036   -44.61996
   36    34 S   O2Z  _O32    31     1.26353   114.98490   136.30201
   37    33 S   CA   _C4_    37     1.40412   118.55215    66.88644
   38    37 S   HA   _H3_    38     1.09021   119.57211    -0.06853
   39    37 S   CA   _C5_    39     1.40831   121.72868   179.89165
   40    39 S   CA   _C10    40     1.48014   119.10159   179.41183
   41    39 S   CA   _C6_    51     1.40549   118.15357    -0.45714
   42    41 S   Cl   Cl2_    52     1.73102   121.50475   179.87967
   43    40 S   CA   _C11    41     1.40819   121.17342    90.77040
   44    43 S   Cl   Cl6_    42     1.74721   119.01323    -0.00000
   45    41 S   CA   _C7_    53     1.39747   120.73576    -0.12195
   46    45 S   HA   _H4_    54     1.08828   119.84253  -179.86878
   47    43 S   CA   _C12    43     1.41581   120.86737  -180.00000
   48    47 S   Cl   Cl5_    44     1.75997   118.49328  -179.92087
   49    33 S   CA   _C8_    55     1.40184   122.65842  -114.15246
   50    49 S   Cl   Cl1_    56     1.73116   122.32724     0.84673
   51    47 S   CA   _C13    45     1.42716   123.09292     0.09487
   52    51 S   OM   _O33    46     1.28287   122.83418   179.98022
   53    51 S   CA   _C14    47     1.42710   114.33542     0.00000
   54    53 S   Cl   Cl4_    48     1.75993   118.42110   179.98022
   55    40 S   CA   _C15    49     1.40837   121.08294   -89.02364
   56    55 S   Cl   Cl3_    50     1.74747   119.00541    -0.04846
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1  10   4  12  12   7   3   8   4   3   2   6   3
   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    49    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    49    50  
   35    36  
   36  
    0  
   38    39    40    43    55    41    42    45    49    50  
   39    40    41    49  
   40    43    44    47    53    55    56    41    42    45    46    49  
   43    44    47    48    51    53    54    55    56    41    42    45  
   42    45    46    49    50    43    55  
   45    46    49  
   44    47    48    51    52    53    55    56  
   47    48    51    55  
   46    49    50  
   49    50  
   48    51    52    53    54    55  
   51    52    53  
   50  
    0  
   52    53    54    55    56  
   53    54    55  
   54    55    56  
   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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   38   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   367.000  1.080
   37    39   469.000  1.400
   39    40   375.000  1.464
   39    41   469.000  1.400
   40    43   469.000  1.400
   40    55   469.000  1.400
   43    44   300.000  1.725
   43    47   469.000  1.400
   47    48   300.000  1.725
   47    51   469.000  1.400
   51    52   450.000  1.364
   51    53   469.000  1.400
   53    54   300.000  1.725
   53    55   469.000  1.400
   55    56   300.000  1.725
   41    42   300.000  1.725
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   300.000  1.725
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    35.00000  120.00000
   33    37    39    63.00000  120.00000
   33    49    45    63.00000  120.00000
   33    49    50    75.00000  120.00000
   37    39    40    60.00000  122.76000
   37    39    41    63.00000  120.00000
   39    37    38    35.00000  120.00000
   39    40    43    60.00000  122.76000
   39    40    55    60.00000  122.76000
   39    41    42    75.00000  120.00000
   39    41    45    63.00000  120.00000
   40    43    44    75.00000  120.00000
   40    43    47    63.00000  120.00000
   40    55    53    63.00000  120.00000
   40    55    56    75.00000  120.00000
   43    47    48    75.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    75.00000  120.00000
   47    51    52    70.00000  120.00000
   47    51    53    63.00000  120.00000
   51    47    48    75.00000  120.00000
   51    53    54    75.00000  120.00000
   51    53    55    63.00000  120.00000
   53    51    52    70.00000  120.00000
   53    55    56    75.00000  120.00000
   55    40    43    63.00000  120.00000
   55    53    54    75.00000  120.00000
   41    39    40    60.00000  122.76000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    75.00000  120.00000
   45    49    50    75.00000  120.00000
   49    33    37    63.00000  120.00000
   49    45    46    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    49    45   3.62500 -1.0 2.0
   29    33    49    50   3.62500 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    41   3.62500 -1.0 2.0
   37    33    49    45   3.62500 -1.0 2.0
   37    33    49    50   3.62500 -1.0 2.0
   37    39    40    43  -0.19450  1.0 1.0
   37    39    40    43   0.63300 -1.0 2.0
   37    39    40    43   0.07450  1.0 3.0
   37    39    40    55  -0.19450  1.0 1.0
   37    39    40    55   0.63300 -1.0 2.0
   37    39    40    55   0.07450  1.0 3.0
   37    39    41    42   3.62500 -1.0 2.0
   37    39   -41    45   3.62500 -1.0 2.0
   38    37    39    40   3.62500 -1.0 2.0
   38    37    39    41   3.62500 -1.0 2.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    47   3.62500 -1.0 2.0
   39    40    55    53   3.62500 -1.0 2.0
   39    40    55    56   3.62500 -1.0 2.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    49   3.62500 -1.0 2.0
   40    39    41    42   3.62500 -1.0 2.0
   40    39    41    45   3.62500 -1.0 2.0
   40    43    47    48   3.62500 -1.0 2.0
   40    43    47    51   3.62500 -1.0 2.0
   43    40    55    53   3.62500 -1.0 2.0
   43    40    55    56   3.62500 -1.0 2.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47   -51    53   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   51    53   -55    40   3.62500 -1.0 2.0
   51    53    55    56   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   54    53    55    40   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   55    40    43    44   3.62500 -1.0 2.0
   55    40   -43    47   3.62500 -1.0 2.0
   41    39    40    43  -0.19450  1.0 1.0
   41    39    40    43   0.63300 -1.0 2.0
   41    39    40    43   0.07450  1.0 3.0
   41    39    40    55  -0.19450  1.0 1.0
   41    39    40    55   0.63300 -1.0 2.0
   41    39    40    55   0.07450  1.0 3.0
   41    45   -49    33   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   46    45    49    33   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    33    37    38   3.62500 -1.0 2.0
   49    33   -37    39   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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   40    41    39    37   4.00000 -1.0 2.0
   43    55    40    39   4.00000 -1.0 2.0
   47    44    43    40   4.00000 -1.0 2.0
   51    48    47    43   4.00000 -1.0 2.0
   53    52    51    47   4.00000 -1.0 2.0
   55    54    53    51   4.00000 -1.0 2.0
   53    56    55    40   4.00000 -1.0 2.0
   45    42    41    39   4.00000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   45    50    49    33   4.00000 -1.0 2.0
END
