* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     97    140     279
    1     0 S   NP   _N1_     1    28.82223    94.06405   -21.68202
    2     1 S   H    _HN1     2     1.02963    89.97567    28.14028
    3     1 S   H    _H1_     3     1.02836    26.91852   158.49731
    4     1 S   H    _H2_     4     1.02777    94.71485   -80.25117
    5     1 S   CT   _CA1     5     1.50123   137.41222   149.09022
    6     5 S   HC   _HA1     6     1.09576   105.22737    63.62694
    7     5 S   CO3  _C1_     7     1.53774   112.41128   -56.56128
    8     7 S   O2Z  _O11     8     1.26354   115.00041   -43.25352
    9     7 S   O2Z  _O12     9     1.26240   114.91721   135.92937
   10     5 S   CT   _CB1    10     1.53092   107.42863  -178.48032
   11    10 S   HC   HB11    11     1.09824   109.28125   -51.01074
   12    10 S   HC   HB12    12     1.09824   110.42726    65.51254
   13    10 S   CT   _CG1    13     1.53025   112.71711  -172.14342
   14    13 S   HC   HG11    14     1.09594   110.41910   -64.26854
   15    13 S   HC   HG12    15     1.09649   110.02149    54.98243
   16    13 S   C    _CD1    16     1.51798   112.28064   175.27540
   17    16 S   O    _OE1    17     1.22742   123.23326    -2.86047
   18    16 S   N    _N2_    18     1.38658   111.70608   177.34097
   19    18 S   H    _HN2    19     1.01595   119.08479     0.23985
   20    18 S   CT1  _CA2    20     1.46101   123.24219  -179.95577
   21    20 S   HC   _HA2    21     1.09578   109.11920   -13.31285
   22    20 S   C    _C2_    22     1.53439   108.67698  -128.39038
   23    22 S   O    _O2_    23     1.23022   122.14924  -147.89649
   24    20 S   CT   _CB2    32     1.53426   111.83820   109.12684
   25    24 S   HC   HB21    33     1.09653   109.57519    60.79697
   26    24 S   HC   HB22    34     1.09569   110.99015   178.18512
   27    22 S   N    _N3_    24     1.38486   113.41563    39.73420
   28    27 S   H    _HN3    25     1.01521   118.90708    -0.86570
   29    24 S   S    _SG2    35     1.82757   114.54863   -59.00100
   30    27 S   CT   _CA3    26     1.45446   123.46443   174.47043
   31    30 S   HC   HA31    27     1.09521   109.22773    24.57175
   32    30 S   HC   HA32    28     1.09491   107.13028   141.63716
   33    29 S   CT   _C10    36     1.82238    99.76813   -69.74727
   34    33 S   HC   _H7_    37     1.09479   109.61930    59.19014
   35    33 S   HC   _H8_    38     1.09277   109.24115   -56.87650
   36    30 S   CO3  _C3_    29     1.52948   113.11684   -98.84917
   37    36 S   O2Z  _O31    30     1.26404   115.44588   -42.26247
   38    36 S   O2Z  _O32    31     1.26357   114.94495   138.62502
   39    33 S   CA   _C8_    39     1.50757   111.46994   179.36050
   40    39 S   CA   _C9_    40     1.39586   118.44502   -82.79586
   41    40 S   HA   _H6_    41     1.08720   120.86116    -1.03079
   42    40 S   NB   _N4_    42     1.35022   125.06427   178.71915
   43    42 S   CA   _C5_    43     1.35182   117.29098    -0.52860
   44    43 S   CA   _C6_    44     1.39718   122.13699     0.31341
   45    43 S   CT   _C4_    53     1.49940   115.60127  -179.59266
   46    45 S   HC   _H3_    54     1.09442   110.40183  -120.04621
   47    45 S   HC   _H4_    55     1.09520   110.88210    -0.69125
   48    45 S   HC   _H5_    56     1.09440   110.38298   118.67898
   49    39 S   CA   _C7_    45     1.40823   124.27144    95.74820
   50    44 S   OH   _O34    51     1.36935   121.67745  -179.59218
   51    50 S   HO   _H12    52     0.97034   110.22906     1.47167
   52    49 S   CT   _C11    46     1.50889   121.60295     1.04811
   53    52 S   HC   _H9_    47     1.09462   110.84615    46.88833
   54    52 S   HC   _H10    48     1.09441   112.19129   165.53071
   55    52 S   OH   _O33    49     1.41935   109.57523   -74.19736
   56    55 S   HO   _H11    50     0.97206   107.07196  -179.85735
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   9   4   3   2   1   1  11   7   3   8   9  11   5   2   1   1
   7   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    49    52  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    49    52    53    54    55    50  
   41    42    43    44    49    52    45  
   42    43    49  
   43    44    49    50    45    46    47    48  
   44    49    52    50    51    45    46    47    48  
   49    52    53    54    55    50    51    45    46    47    48  
   46    47    48    49    50  
   47    48  
   48  
    0  
   52    53    54    55    56    50    51  
   51    52  
    0  
   53    54    55    56  
   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  -0.335000   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   0.210500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.455000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   42   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   43   3.5500   0.0700   0.370000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.142000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700   0.177000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.234300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   483.000  1.339
   42    43   483.000  1.339
   43    44   469.000  1.400
   43    45   317.000  1.510
   44    49   469.000  1.400
   44    50   450.000  1.364
   49    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   320.000  1.410
   55    56   553.000  0.945
   50    51   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    70.00000  124.00000
   39    49    44    63.00000  120.00000
   39    49    52    70.00000  120.00000
   40    42    43    70.00000  117.00000
   42    40    41    35.00000  116.00000
   42    43    44    70.00000  124.00000
   42    43    45    75.00000  115.74700
   43    44    49    63.00000  120.00000
   43    44    50    70.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    35.00000  109.50000
   44    49    52    70.00000  120.00000
   44    50    51    35.00000  113.00000
   49    39    40    63.00000  120.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    90.00000  112.51600
   52    55    56    55.00000  108.50000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   50    44    49    70.00000  120.00000
   45    43    44    70.00000  120.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    44   3.62500 -1.0 2.0
   33    39    49    52   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    49    52    53   0.00000  1.0 1.0
   39    49    52    54   0.00000  1.0 1.0
   39    49    52    55   0.14300 -1.0 2.0
   39    49    52    55   0.00300  1.0 3.0
   40    39    49    44   3.62500 -1.0 2.0
   40    39    49    52   3.62500 -1.0 2.0
   40    42   -43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43    44    50   3.62500 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.00000  1.0 1.0
   42    43    45    48   0.00000  1.0 1.0
   43    44   -49    39   3.62500 -1.0 2.0
   43    44    49    52   3.62500 -1.0 2.0
   43    44    50    51   0.84100 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   44    49    52    53   0.00000  1.0 1.0
   44    49    52    54   0.00000  1.0 1.0
   44    49    52    55   0.14300 -1.0 2.0
   44    49    52    55   0.00300  1.0 3.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   49    44    50    51   0.84100 -1.0 2.0
   49    52    55    56   0.31900  1.0 1.0
   49    52    55    56  -0.11800 -1.0 2.0
   49    52    55    56   0.38750  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   54    52    55    56   0.19450  1.0 3.0
   50    44    49    39   3.62500 -1.0 2.0
   50    44    49    52   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    43    44    50   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   49    50    44    43   4.00000 -1.0 2.0
   44    52    49    39   4.00000 -1.0 2.0
END
