* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     94    142     273
    1     0 S   NP   _N1_     1    28.85977    94.81894   -25.73611
    2     1 S   H    _HN1     2     1.02947    76.76392    12.65714
    3     1 S   H    _H1_     3     1.02826    30.41923  -162.72903
    4     1 S   H    _H2_     4     1.02789   120.95258   -91.02614
    5     1 S   CT   _CA1     5     1.50122   120.71489   118.72929
    6     5 S   HC   _HA1     6     1.09572   105.17570    91.32534
    7     5 S   CO3  _C1_     7     1.53769   112.45379   -28.89967
    8     7 S   O2Z  _O11     8     1.26376   114.99934   -42.56268
    9     7 S   O2Z  _O12     9     1.26232   114.93673   136.47643
   10     5 S   CT   _CB1    10     1.53062   107.41033  -150.69225
   11    10 S   HC   HB11    11     1.09840   109.33838   -49.43446
   12    10 S   HC   HB12    12     1.09812   110.46619    67.15628
   13    10 S   CT   _CG1    13     1.53016   112.64521  -170.38023
   14    13 S   HC   HG11    14     1.09575   110.71924   -66.89799
   15    13 S   HC   HG12    15     1.09669   109.72458    52.36012
   16    13 S   C    _CD1    16     1.51807   112.02830   172.83204
   17    16 S   O    _OE1    17     1.22747   123.21890    11.15757
   18    16 S   N    _N2_    18     1.38645   111.82055  -169.01789
   19    18 S   H    _HN2    19     1.01603   118.94457     1.34261
   20    18 S   CT1  _CA2    20     1.46204   123.32171   176.51642
   21    20 S   HC   _HA2    21     1.09734   109.39273     4.47199
   22    20 S   C    _C2_    22     1.53572   108.62871  -111.02681
   23    22 S   O    _O2_    23     1.23060   122.25048  -147.61511
   24    20 S   CT   _CB2    32     1.53209   111.55710   126.51710
   25    24 S   HC   HB21    33     1.09570   110.07374    56.61625
   26    24 S   HC   HB22    34     1.09508   110.32522   175.10663
   27    22 S   N    _N3_    24     1.38317   113.73991    39.82818
   28    27 S   H    _HN3    25     1.01569   119.61600    -3.24606
   29    24 S   S    _SG2    35     1.82973   111.49333   -64.82178
   30    27 S   CT   _CA3    26     1.45285   123.24831   177.18408
   31    30 S   HC   HA31    27     1.09547   107.51592   -64.58895
   32    30 S   HC   HA32    28     1.09556   107.98695    51.86189
   33    29 S   CA   _C8_    36     1.80054    98.92804   175.46231
   34    30 S   CO3  _C3_    29     1.52971   114.04942   173.85615
   35    34 S   O2Z  _O31    30     1.26382   116.06875    -0.54032
   36    34 S   O2Z  _O32    31     1.26425   114.41792   179.51382
   37    33 S   CA   _C9_    37     1.40495   120.83636    89.89119
   38    37 S   CA   _C4_    38     1.39519   122.81206  -176.60022
   39    38 S   HA   _H3_    39     1.08830   120.59230   177.55527
   40    37 S   NO2  _N4_    53     1.44519   121.06165     2.28627
   41    40 S   ON   _O34    54     1.23731   116.86878   -99.32205
   42    40 S   ON   _O33    55     1.23721   116.89278    81.72821
   43    38 S   CA   _C5_    40     1.39743   118.53731    -1.41111
   44    43 S   CA   _C6_    41     1.40436   121.88354    -1.26656
   45    43 S   NO2  _N6_    50     1.44603   115.17138   174.74644
   46    45 S   ON   _O41    51     1.23814   116.92392    68.65640
   47    45 S   ON   _O40    52     1.23757   116.94419  -108.48822
   48    33 S   CA   _C7_    42     1.41764   122.43738   -89.27767
   49    44 S   SY   _S1_    46     1.81749   120.75706  -175.35190
   50    49 S   OY   _O39    47     1.45849   101.19768   -92.96303
   51    49 S   OY   _O37    48     1.45874   104.07323    27.65408
   52    49 S   OY   _O38    49     1.45820   104.10976   146.36761
   53    48 S   NO2  _N5_    43     1.45025   117.54815     1.55872
   54    53 S   ON   _O36    44     1.23831   117.06071   -77.00520
   55    53 S   ON   _O35    45     1.23787   116.79339   101.16448
  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
  13   2   1   1  10  11   4   4   1   1  10  11   4   1   1   7
   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    48    53    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    48    53    54    55    49    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    48    53    45    40    41    42  
   39    43    44    48    49    45    46    47    40    41    42  
   43    44    45    40  
   41    42    43    48  
   42  
    0  
   44    48    53    49    50    51    52    45    46    47  
   48    53    54    55    49    50    51    52    45    46    47  
   46    47    48    49  
   47  
    0  
   53    54    55    49    50    51    52  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55  
   55  
    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   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   41   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   42   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   43   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   46   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   47   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   48   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   50   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   51   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   52   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   53   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    48   469.000  1.400
   37    38   469.000  1.400
   37    40   400.000  1.460
   38    39   367.000  1.080
   38    43   469.000  1.400
   43    44   469.000  1.400
   43    45   400.000  1.460
   44    48   469.000  1.400
   44    49   225.000  1.779
   48    53   400.000  1.460
   53    54   550.000  1.225
   53    55   550.000  1.225
   49    50   735.000  1.471
   49    51   735.000  1.471
   49    52   735.000  1.471
   45    46   550.000  1.225
   45    47   550.000  1.225
   40    41   550.000  1.225
   40    42   550.000  1.225
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    48    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    85.00000  120.00000
   33    48    44    63.00000  120.00000
   33    48    53    85.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    43    63.00000  120.00000
   37    40    41    80.00000  117.50000
   37    40    42    80.00000  117.50000
   38    43    44    63.00000  120.00000
   38    43    45    85.00000  120.00000
   43    38    39    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    44    49    65.00000  117.06700
   43    45    46    80.00000  117.50000
   43    45    47    80.00000  117.50000
   44    48    53    85.00000  120.00000
   44    49    50   100.00000  107.67100
   44    49    51   100.00000  107.67100
   44    49    52   100.00000  107.67100
   48    33    37    63.00000  120.00000
   48    53    54    80.00000  117.50000
   48    53    55    80.00000  117.50000
   55    53    54    80.00000  125.30000
   49    44    48    65.00000  117.06700
   51    49    50   115.00000  120.17200
   52    49    50   115.00000  120.17200
   52    49    51   115.00000  120.17200
   45    43    44    85.00000  120.00000
   47    45    46    80.00000  125.30000
   40    37    38    85.00000  120.00000
   42    40    41    80.00000  125.30000
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    48   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    40   3.62500 -1.0 2.0
   29    33    48    44   3.62500 -1.0 2.0
   29    33    48    53   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    43   3.62500 -1.0 2.0
   33    37    40    41   0.69950 -1.0 2.0
   33    37    40    42   0.69950 -1.0 2.0
   33    48    53    54   0.69950 -1.0 2.0
   33    48    53    55   0.69950 -1.0 2.0
   37    33    48    44   3.62500 -1.0 2.0
   37    33    48    53   3.62500 -1.0 2.0
   37    38   -43    44   3.62500 -1.0 2.0
   37    38    43    45   3.62500 -1.0 2.0
   38    37    40    41   0.69950 -1.0 2.0
   38    37    40    42   0.69950 -1.0 2.0
   38    43    44    48   3.62500 -1.0 2.0
   38    43    44    49   3.62500 -1.0 2.0
   38    43    45    46   0.69950 -1.0 2.0
   38    43    45    47   0.69950 -1.0 2.0
   39    38    43    44   3.62500 -1.0 2.0
   39    38    43    45   3.62500 -1.0 2.0
   43    44   -48    33   3.62500 -1.0 2.0
   43    44    48    53   3.62500 -1.0 2.0
   43    44    49    50   0.19500  1.0 1.0
   43    44    49    50   0.12000 -1.0 2.0
   43    44    49    51   0.19500  1.0 1.0
   43    44    49    51   0.12000 -1.0 2.0
   43    44    49    52   0.19500  1.0 1.0
   43    44    49    52   0.12000 -1.0 2.0
   44    43    45    46   0.69950 -1.0 2.0
   44    43    45    47   0.69950 -1.0 2.0
   44    48    53    54   0.69950 -1.0 2.0
   44    48    53    55   0.69950 -1.0 2.0
   48    33   -37    38   3.62500 -1.0 2.0
   48    33    37    40   3.62500 -1.0 2.0
   48    44    49    50   0.19500  1.0 1.0
   48    44    49    50   0.12000 -1.0 2.0
   48    44    49    51   0.19500  1.0 1.0
   48    44    49    51   0.12000 -1.0 2.0
   48    44    49    52   0.19500  1.0 1.0
   48    44    49    52   0.12000 -1.0 2.0
   49    44    48    33   3.62500 -1.0 2.0
   49    44    48    53   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
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    43   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    48    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   44    45    43    38   4.00000 -1.0 2.0
   48    49    44    43   4.00000 -1.0 2.0
   44    53    48    33   4.00000 -1.0 2.0
   54    48    53    55  10.50000 -1.0 2.0
   46    43    45    47  10.50000 -1.0 2.0
   41    37    40    42  10.50000 -1.0 2.0
END
