* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     96    144     281
    1     0 S   NP   _N1_     1    28.90267    93.85773   -20.46476
    2     1 S   H    _HN1     2     1.02973    94.91052    55.25671
    3     1 S   H    _H1_     3     1.02808    23.57963   177.40776
    4     1 S   H    _H2_     4     1.02749    93.81796   -53.63223
    5     1 S   CT   _CA1     5     1.50354   134.24310   179.62938
    6     5 S   HC   _HA1     6     1.09618   104.88657    58.42926
    7     5 S   CO3  _C1_     7     1.53921   112.69929   -60.29731
    8     7 S   O2Z  _O11     8     1.26358   115.08357   -28.04212
    9     7 S   O2Z  _O12     9     1.26312   114.96059   150.11152
   10     5 S   CT   _CB1    10     1.53100   107.03709   175.49450
   11    10 S   HC   HB11    11     1.09796   108.61484   -52.89393
   12    10 S   HC   HB12    12     1.09765   110.34740    63.07287
   13    10 S   CT   _CG1    13     1.52970   113.30813  -174.53370
   14    13 S   HC   HG11    14     1.09574   109.99965   -71.30491
   15    13 S   HC   HG12    15     1.09658   110.24545    47.66718
   16    13 S   C    _CD1    16     1.51939   112.56420   167.10733
   17    16 S   O    _OE1    17     1.22755   123.16389   -18.62555
   18    16 S   N    _N2_    18     1.38628   111.86050   163.71712
   19    18 S   H    _HN2    19     1.01588   118.90483    -1.92427
   20    18 S   CT1  _CA2    20     1.46283   123.49831   178.02831
   21    20 S   HC   _HA2    21     1.09742   109.29469   -16.43421
   22    20 S   C    _C2_    22     1.53462   108.03284  -131.87172
   23    22 S   O    _O2_    23     1.23011   122.35522  -145.43866
   24    20 S   CT   _CB2    32     1.53381   111.58043   105.94835
   25    24 S   HC   HB21    33     1.09520   109.79603    53.58326
   26    24 S   HC   HB22    34     1.09514   110.72100   171.87945
   27    22 S   N    _N3_    24     1.38551   113.29980    41.94520
   28    27 S   H    _HN3    25     1.01538   118.87579    -0.62244
   29    24 S   S    _SG2    35     1.82729   111.68983   -69.25697
   30    27 S   CT   _CA3    26     1.45436   123.40642   175.12637
   31    30 S   HC   HA31    27     1.09530   109.14415    26.00115
   32    30 S   HC   HA32    28     1.09494   107.14067   142.99085
   33    29 S   CT   _C8_    36     1.82504    99.79041   146.86470
   34    33 S   HC   _H4_    37     1.09488   107.95891    50.11891
   35    30 S   CO3  _C3_    29     1.52933   113.19821   -97.41282
   36    35 S   O2Z  _O31    30     1.26397   115.45318   -43.54022
   37    35 S   O2Z  _O32    31     1.26362   114.95174   137.40422
   38    33 S   CT   _C7_    38     1.52904   113.06380   -73.01886
   39    38 S   HC   _H8_    39     1.09514   114.38540    24.66630
   40    38 S   HC   _H9_    40     1.09897   108.98409   142.51151
   41    38 S   CT   _C6_    41     1.52404   103.85453  -101.04944
   42    41 S   CT   _C5_    42     1.52060   100.22504   -34.18786
   43    42 S   HC   _H3_    43     1.09941   109.08156   -77.53202
   44    41 S   CO3  _C9_    49     1.55047   107.16664    95.03489
   45    44 S   O2Z  _O35    50     1.26018   116.81492  -105.62517
   46    44 S   O2Z  _O34    51     1.26724   114.30892    74.25662
   47    41 S   OH   _O36    52     1.43127   109.84547  -148.83961
   48    47 S   HO   _H10    53     0.97500   106.96586   -72.78800
   49    33 S   OS   _O33    44     1.44084   110.49691   167.41870
   50    42 S   CT   _C4_    45     1.51835   116.85952   161.33015
   51    50 S   HC   _H5_    46     1.09343   112.18546   -72.08139
   52    50 S   HC   _H6_    47     1.09603   109.69306   170.95300
   53    50 S   HC   _H7_    48     1.09379   111.49615    51.06729
  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
  11   6   2   1   1  12   6   5  12  11   7   6   2   1   3   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    40    41    42    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    49    50    44    47  
   38    39    40    41    42    49  
   36    37  
   37  
    0  
   39    40    41    42    43    49    50    44    45    46    47    48  
   40    41    42    49    44    47  
   41    42    49    44    47  
   42    43    49    50    51    52    53    44    45    46    47    48  
   43    49    50    51    52    53    44    45    46    47    48  
   49    50    51    52    53    44    47  
   45    46    47    48    49    50  
   46    47  
   47  
   48    49    50  
    0  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   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    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   268.000  1.529
   33    49   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   317.000  1.522
   41    47   320.000  1.410
   42    43   340.000  1.090
   42    49   320.000  1.410
   42    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    49    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    42    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    70.00000  109.69300
   38    41    47    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    49    50.00000  109.50000
   41    42    50    58.35000  112.70000
   41    44    45    70.00000  117.00000
   41    44    46    70.00000  117.00000
   41    47    48    55.00000  108.50000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   49    33    34    35.00000  109.50000
   49    33    38    50.00000  109.50000
   49    42    43    35.00000  109.50000
   50    42    43    37.50000  110.70000
   50    42    49    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   44    41    42    70.00000  109.69300
   46    44    45    80.00000  126.00000
   47    41    42    50.00000  109.50000
   47    41    44    95.00000  109.52300
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    42   0.14700  1.0 1.0
   29    33    49    42  -1.16150 -1.0 2.0
   29    33    49    42   0.48700  1.0 3.0
   33    38   -41    42   0.56750  1.0 1.0
   33    38   -41    42  -0.07550 -1.0 2.0
   33    38   -41    42   0.20000  1.0 3.0
   33    38    41    44  -1.63150  1.0 1.0
   33    38    41    44  -0.43550 -1.0 2.0
   33    38    41    44   0.24500  1.0 3.0
   33    38    41    47   0.86500  1.0 1.0
   33    38    41    47  -0.17500 -1.0 2.0
   33    38    41    47   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    42   0.37050  1.0 3.0
   38    33   -49    42   0.06250  1.0 1.0
   38    33   -49    42  -0.01100 -1.0 2.0
   38    33   -49    42   0.28050  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41   -42    49   0.62750  1.0 1.0
   38    41   -42    49  -0.30950 -1.0 2.0
   38    41   -42    49   0.27300  1.0 3.0
   38    41    42    50   0.56750  1.0 1.0
   38    41    42    50  -0.07550 -1.0 2.0
   38    41    42    50   0.20000  1.0 3.0
   38    41    44    45   0.41150 -1.0 2.0
   38    41    44    46   0.41150 -1.0 2.0
   38    41    47    48  -0.11600  1.0 1.0
   38    41    47    48  -0.09450 -1.0 2.0
   38    41    47    48   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    44  -0.11250  1.0 3.0
   39    38    41    47   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44  -0.11250  1.0 3.0
   40    38    41    47   0.23400  1.0 3.0
   41    42   -49    33   0.06250  1.0 1.0
   41    42   -49    33  -0.01100 -1.0 2.0
   41    42   -49    33   0.28050  1.0 3.0
   41    42    50    51   0.15000  1.0 3.0
   41    42    50    52   0.15000  1.0 3.0
   41    42    50    53   0.15000  1.0 3.0
   42    41    44    45   0.41150 -1.0 2.0
   42    41    44    46   0.41150 -1.0 2.0
   42    41    47    48  -0.11600  1.0 1.0
   42    41    47    48  -0.09450 -1.0 2.0
   42    41    47    48   0.21250  1.0 3.0
   43    42    49    33   0.37050  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   49    33    38    39   0.23400  1.0 3.0
   49    33    38    40   0.23400  1.0 3.0
   49    33   -38    41   0.62750  1.0 1.0
   49    33   -38    41  -0.30950 -1.0 2.0
   49    33   -38    41   0.27300  1.0 3.0
   49    42    50    51   0.23400  1.0 3.0
   49    42    50    52   0.23400  1.0 3.0
   49    42    50    53   0.23400  1.0 3.0
   50    42    49    33   0.06250  1.0 1.0
   50    42    49    33  -0.01100 -1.0 2.0
   50    42    49    33   0.28050  1.0 3.0
   44    41    42    43  -0.11250  1.0 3.0
   44    41    42    49  -3.35100  1.0 1.0
   44    41    42    49  -0.37050 -1.0 2.0
   44    41    42    49   0.22400  1.0 3.0
   44    41    42    50  -1.63150  1.0 1.0
   44    41    42    50  -0.43550 -1.0 2.0
   44    41    42    50   0.24500  1.0 3.0
   44    41    47    48   0.91850  1.0 1.0
   44    41    47    48   0.57950  1.0 3.0
   47    41    42    43   0.23400  1.0 3.0
   47    41    42    49   3.69350  1.0 1.0
   47    41    42    49  -1.82950 -1.0 2.0
   47    41    42    50   0.86500  1.0 1.0
   47    41    42    50  -0.17500 -1.0 2.0
   47    41    42    50   0.20800  1.0 3.0
   47    41    44    45   0.30150 -1.0 2.0
   47    41    44    46   0.30150 -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
   45    41    44    46  10.50000 -1.0 2.0
END
