* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     92    142     271
    1     0 S   NP   _N1_     1    28.80064    95.91587   -22.72799
    2     1 S   H    _HN1     2     1.02949    74.67752    13.14852
    3     1 S   H    _H1_     3     1.02827    37.56113   162.00629
    4     1 S   H    _H2_     4     1.02786   101.14192   -93.06193
    5     1 S   CT   _CA1     5     1.50115   141.56803   116.80221
    6     5 S   HC   _HA1     6     1.09573   105.19009    86.78575
    7     5 S   CO3  _C1_     7     1.53780   112.46209   -33.45069
    8     7 S   O2Z  _O11     8     1.26373   115.00233   -42.46107
    9     7 S   O2Z  _O12     9     1.26236   114.93959   136.65124
   10     5 S   CT   _CB1    10     1.53075   107.41919  -155.22828
   11    10 S   HC   HB11    11     1.09834   109.35984   -49.63132
   12    10 S   HC   HB12    12     1.09813   110.45532    66.97407
   13    10 S   CT   _CG1    13     1.52996   112.61418  -170.59884
   14    13 S   HC   HG11    14     1.09581   110.65897   -66.06572
   15    13 S   HC   HG12    15     1.09672   109.76593    53.17153
   16    13 S   C    _CD1    16     1.51804   112.17894   173.62751
   17    16 S   O    _OE1    17     1.22734   123.26694     8.16578
   18    16 S   N    _N2_    18     1.38628   111.68524  -171.95321
   19    18 S   H    _HN2    19     1.01600   118.98671     1.61701
   20    18 S   CT1  _CA2    20     1.46262   123.44314   177.29311
   21    20 S   HC   _HA2    21     1.09743   109.30946     3.51357
   22    20 S   C    _C2_    22     1.53608   109.00441  -111.85694
   23    22 S   O    _O2_    23     1.23051   122.22726  -151.62951
   24    20 S   CT   _CB2    32     1.53420   111.25811   125.43693
   25    24 S   HC   HB21    33     1.09440   109.46659    54.53247
   26    24 S   HC   HB22    34     1.09438   110.15461   173.61052
   27    22 S   N    _N3_    24     1.38330   113.82932    36.10329
   28    27 S   H    _HN3    25     1.01563   119.56735    -3.76666
   29    24 S   S    _SG2    35     1.83362   110.81440   -66.83229
   30    27 S   CT   _CA3    26     1.45280   123.23616   177.00873
   31    30 S   HC   HA31    27     1.09549   107.56900   -63.12886
   32    30 S   HC   HA32    28     1.09555   107.92638    53.31105
   33    29 S   CT   _C6_    36     1.84983   101.63996   170.11266
   34    33 S   HC   _H3_    37     1.09697   107.24131   175.81137
   35    30 S   CO3  _C3_    29     1.52962   114.05248   175.25228
   36    35 S   O2Z  _O31    30     1.26384   116.07112    -0.74965
   37    35 S   O2Z  _O32    31     1.26428   114.42837   179.28072
   38    33 S   CM   _C5_    38     1.51719   110.41300   -66.35862
   39    38 S   CM   _C4_    39     1.34404   124.52411   117.08167
   40    39 S   HC   _H4_    40     1.08518   123.89257   177.77252
   41    38 S   NO2  _N5_    52     1.45654   117.93013   -67.20677
   42    41 S   ON   _O39    53     1.23880   118.25422   156.64852
   43    41 S   ON   _O38    54     1.23811   117.24933   -23.05174
   44    39 S   CM   _C9_    41     1.45370   118.03000    -0.57607
   45    44 S   CM   _C8_    42     1.45493   122.28460     9.19024
   46    44 S   CMA  _C10    49     1.50922   116.34130  -172.24807
   47    46 S   OM   _O34    50     1.26371   120.61800  -110.61681
   48    46 S   OM   _O33    51     1.26330   120.72275    70.37015
   49    33 S   CM   _C7_    43     1.51616   110.62299    57.84906
   50    45 S   OH   _O35    47     1.37696   118.32777   168.50183
   51    50 S   HO   _H5_    48     0.97515   108.01580    -4.62715
   52    49 S   NO2  _N4_    44     1.44914   116.65917    67.04680
   53    52 S   ON   _O37    45     1.23830   117.95984  -132.09130
   54    52 S   ON   _O36    46     1.23806   116.88466    46.21496
  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   8   5   4   3
  14   6   2   1   1  10  11   4   4   1   1   8   9   4   1   1
   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    49    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    52    53    54    50    41    42    43  
   38    39    45    49    52    41  
   36    37  
   37  
    0  
   39    40    44    45    49    52    46    41    42    43  
   40    44    45    49    50    46    47    48    41    42    43  
   44    45    46    41  
   42    43    44    49  
   43  
    0  
   45    49    52    50    51    46    47    48  
   49    52    53    54    50    51    46    47    48  
   47    48    49    50  
   48  
    0  
   52    53    54    50    51  
   51    52  
    0  
   53    54  
   54  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   42   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   43   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   44   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    49   317.000  1.510
   38    39   549.000  1.340
   38    41   325.000  1.425
   39    40   340.000  1.080
   39    44   380.000  1.444
   44    45   380.000  1.444
   44    46   465.000  1.376
   45    49   549.000  1.340
   45    50   510.000  1.338
   49    52   325.000  1.425
   52    53   550.000  1.225
   52    54   550.000  1.225
   50    51   553.000  0.945
   46    47   745.000  1.250
   46    48   745.000  1.250
   41    42   550.000  1.225
   41    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  113.98000
   33    49    45    70.00000  124.00000
   33    49    52    70.00000  113.98000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    90.00000  119.02900
   38    41    43    90.00000  119.02900
   39    44    45    70.00000  123.01800
   39    44    46    70.00000  117.34000
   44    39    40    35.00000  120.00000
   44    45    49    70.00000  123.01800
   44    45    50    80.00000  121.38400
   44    46    47    65.00000  137.10300
   44    46    48    65.00000  137.10300
   45    49    52    70.00000  118.30600
   45    50    51    70.00000  107.45700
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   49    52    53    90.00000  119.02900
   49    52    54    90.00000  119.02900
   54    52    53    80.00000  125.30000
   50    45    49    80.00000  121.38400
   46    44    45    70.00000  117.34000
   48    46    47    65.00000  121.00000
   41    38    39    70.00000  118.30600
   43    41    42    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    45   0.42700  1.0 1.0
   29    33    49    45  -0.70350 -1.0 2.0
   29    33    49    45  -0.43150  1.0 3.0
   29    33    49    52   0.09700  1.0 1.0
   29    33    49    52   0.15600 -1.0 2.0
   29    33    49    52  -0.50800  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.01550  1.0 1.0
   33    38    41    42   0.69950 -1.0 2.0
   33    38    41    42   0.02600  1.0 3.0
   33    38    41    43   0.01550  1.0 1.0
   33    38    41    43   0.69950 -1.0 2.0
   33    38    41    43   0.02600  1.0 3.0
   33    49    52    53   0.01550  1.0 1.0
   33    49    52    53   0.69950 -1.0 2.0
   33    49    52    53   0.02600  1.0 3.0
   33    49    52    54   0.01550  1.0 1.0
   33    49    52    54   0.69950 -1.0 2.0
   33    49    52    54   0.02600  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    45   0.00000  1.0 1.0
   34    33    49    52   0.00000  1.0 1.0
   38    33    49    45  -0.28300  1.0 1.0
   38    33    49    45   0.26700 -1.0 2.0
   38    33    49    45  -0.63300  1.0 3.0
   38    33    49    52   0.09700  1.0 1.0
   38    33    49    52   0.15600 -1.0 2.0
   38    33    49    52  -0.50800  1.0 3.0
   38    39   -44    45   0.28850  1.0 1.0
   38    39   -44    45   2.61350 -1.0 2.0
   38    39   -44    45   0.78400  1.0 3.0
   38    39    44    46   0.28850  1.0 1.0
   38    39    44    46   2.61350 -1.0 2.0
   38    39    44    46   0.78400  1.0 3.0
   39    38    41    42   0.65450 -1.0 2.0
   39    38    41    43   0.65450 -1.0 2.0
   39    44    45    49   0.28850  1.0 1.0
   39    44    45    49   2.61350 -1.0 2.0
   39    44    45    49   0.78400  1.0 3.0
   39    44    45    50   0.50950  1.0 1.0
   39    44    45    50   0.56650 -1.0 2.0
   39    44    45    50   0.34050  1.0 3.0
   39    44    46    47   7.00000 -1.0 2.0
   39    44    46    48   7.00000 -1.0 2.0
   40    39    44    45  -0.18600  1.0 3.0
   40    39    44    46  -0.18600  1.0 3.0
   44    45   -49    33   7.00000 -1.0 2.0
   44    45    49    52   7.00000 -1.0 2.0
   44    45    50    51  -0.66100  1.0 1.0
   44    45    50    51   1.20850 -1.0 2.0
   44    45    50    51  -0.36000  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   45    49    52    53   0.65450 -1.0 2.0
   45    49    52    54   0.65450 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    45    50    51  -0.66100  1.0 1.0
   49    45    50    51   1.20850 -1.0 2.0
   49    45    50    51  -0.36000  1.0 3.0
   50    45    49    33   7.00000 -1.0 2.0
   50    45    49    52   7.00000 -1.0 2.0
   46    44    45    49   0.28850  1.0 1.0
   46    44    45    49   2.61350 -1.0 2.0
   46    44    45    49   0.78400  1.0 3.0
   46    44    45    50   0.50950  1.0 1.0
   46    44    45    50   0.56650 -1.0 2.0
   46    44    45    50   0.34050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    46   1.10000 -1.0 2.0
   44    50    45    49   1.10000 -1.0 2.0
   33    52    49    45   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
   47    48    46    44   1.10000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
