* LIGAND DATABASE FILE (OPLS2005)
*
001      56    55     95    141     280
    1     0 S   NP   _N1_     1    30.14066    91.44935   -20.03272
    2     1 S   H    _HN1     2     1.03111   118.00108    83.23865
    3     1 S   H    _H1_     3     1.02721    10.62616    88.69478
    4     1 S   H    _H2_     4     1.03255   102.20223   -33.16481
    5     1 S   CT   _CA1     5     1.49834   106.46991  -151.03673
    6     5 S   HC   _HA1     6     1.09578   105.18824    52.97665
    7     5 S   CO3  _C1_     7     1.53786   112.49502   -67.19003
    8     7 S   O2Z  _O11     8     1.26338   115.28451   -50.53494
    9     7 S   O2Z  _O12     9     1.26289   114.85540   128.67354
   10     5 S   CT   _CB1    10     1.53031   107.50953   170.81190
   11    10 S   HC   HB11    11     1.09764   109.43582   -50.08949
   12    10 S   HC   HB12    12     1.09792   110.50207    66.28969
   13    10 S   CT   _CG1    13     1.52969   112.68126  -170.88730
   14    13 S   HC   HG11    14     1.09545   111.27651   -62.58487
   15    13 S   HC   HG12    15     1.09597   110.76356    56.64043
   16    13 S   C    _CD1    16     1.51341   109.78034   175.95276
   17    16 S   O    _OE1    17     1.22836   121.67112   -89.64281
   18    16 S   N    _N2_    18     1.38447   113.06986    88.48161
   19    18 S   H    _HN2    19     1.01564   119.18190     5.32281
   20    18 S   CT1  _CA2    20     1.46095   123.22468  -175.75268
   21    20 S   HC   _HA2    21     1.09591   108.99148     9.27527
   22    20 S   C    _C2_    22     1.53580   110.07217  -106.25521
   23    22 S   O    _O2_    23     1.23140   121.92710  -150.52002
   24    20 S   CT   _CB2    32     1.53607   111.75434   130.99527
   25    24 S   HC   HB21    33     1.09691   109.22880    70.50643
   26    24 S   HC   HB22    34     1.09498   110.74831  -173.02903
   27    22 S   N    _N3_    24     1.38229   114.23989    37.00387
   28    27 S   H    _HN3    25     1.01570   119.79229    -3.42931
   29    24 S   S    _SG2    35     1.82971   115.52914   -48.39487
   30    27 S   CT   _CA3    26     1.45321   122.89290   176.79820
   31    30 S   HC   HA31    27     1.09561   107.55693   -62.40871
   32    30 S   HC   HA32    28     1.09565   107.87229    53.93908
   33    29 S   CT   _C10    36     1.85024   101.44757   -63.31340
   34    33 S   HC   _H3_    37     1.08869   106.47037    43.81752
   35    30 S   CO3  _C3_    29     1.52891   114.30973   175.92143
   36    35 S   O2Z  _O31    30     1.26329   116.09725    -0.43431
   37    35 S   O2Z  _O32    31     1.26445   114.38604   179.60485
   38    33 S   CM   _C4_    38     1.51527   106.19682   161.26262
   39    38 S   HC   _H16    39     1.09199   114.16823    55.76656
   40    33 S   CT   _C11    50     1.53658   111.24463   -75.45906
   41    40 S   HC   _H21    51     1.09564   110.91257    55.79184
   42    38 S   CM   _C6_    40     1.34727   129.58408  -122.21197
   43    40 S   CO3  _C8_    52     1.54096   110.01434   173.99293
   44    43 S   O2Z  _O10    53     1.26429   114.79728   -66.72143
   45    43 S   O2Z  _O13    54     1.26388   115.66407   113.36716
   46    40 S   OH   _O14    55     1.43116   111.92308   -63.51482
   47    46 S   HO   _H22    56     0.97473   107.09447   -94.42432
   48    42 S   CO4  _C5_    41     1.48993   121.92686    -4.53380
   49    48 S   O    _O33    42     1.22634   123.11025   178.25987
   50    48 S   HC   _H17    43     1.09807   116.80266    -2.50827
   51    42 S   CT   _C9_    44     1.50749   121.21037   177.25384
   52    51 S   HC   _H18    45     1.09716   111.28042    24.20737
   53    51 S   HC   _H19    46     1.09606   111.18619   142.12388
   54    51 S   CO3  _C7_    47     1.52514   108.52614   -95.80496
   55    54 S   O2Z  _O9_    48     1.26410   115.84643   -97.48387
   56    54 S   O2Z  _O34    49     1.26465   115.51589    82.58870
  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   9   5   4   3
  13   7   2   1   1  13   4   7   5   9   4   2   1   1   1   6
   2   1   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    51    40    41    43    44    45    46    47  
   38    39    42    40    41    43    46  
   36    37  
   37  
    0  
   39    42    48    49    50    51    52    53    54    40    41    43    46  
   42    48    51    40  
   41    43    44    45    46    47    42  
   43    44    45    46    47  
   48    49    50    51    52    53    54    55    56  
   44    45    46    47  
   45    46  
   46  
   47  
    0  
   49    50    51    52    53    54  
   50    51  
   51  
   52    53    54    55    56  
   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   0.107500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    48   320.000  1.462
   42    51   317.000  1.510
   48    49   570.000  1.229
   48    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.522
   54    55   656.000  1.250
   54    56   656.000  1.250
   40    41   340.000  1.090
   40    43   317.000  1.522
   40    46   320.000  1.410
   43    44   656.000  1.250
   43    45   656.000  1.250
   46    47   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  109.69300
   33    40    46    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    48    65.00000  118.96000
   38    42    51    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    48    49    80.00000  123.72100
   42    48    50    40.00000  115.75000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    54    65.00000  111.94000
   50    48    49    35.00000  123.00000
   51    42    48    65.00000  116.34900
   51    54    55    70.00000  117.00000
   51    54    56    70.00000  117.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   56    54    55    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    70.00000  117.00000
   40    43    45    70.00000  117.00000
   40    46    47    55.00000  108.50000
   43    40    41    35.00000  109.50000
   45    43    44    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    43    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  -0.62250  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    40    43    44   0.41150 -1.0 2.0
   33    40    43    45   0.41150 -1.0 2.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43  -0.11250  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    33    40    46   1.05650  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46   0.53150  1.0 3.0
   38    42    48    49   1.00000 -1.0 2.0
   38    42    48    50  -0.79650  1.0 1.0
   38    42    48    50   1.60950 -1.0 2.0
   38    42    48    50  -0.26250  1.0 3.0
   38    42    51    52   0.00000  1.0 1.0
   38    42    51    53   0.00000  1.0 1.0
   38    42    51    54  -0.51250  1.0 1.0
   38    42    51    54  -0.88800 -1.0 2.0
   38    42    51    54   0.08850  1.0 3.0
   39    38    42    48   7.00000 -1.0 2.0
   39    38    42    51   7.00000 -1.0 2.0
   42    51    54    55   0.30150 -1.0 2.0
   42    51    54    56   0.30150 -1.0 2.0
   48    42    51    52   0.15000  1.0 3.0
   48    42    51    53   0.15000  1.0 3.0
   48    42    51    54   0.09700  1.0 1.0
   48    42    51    54   0.15600 -1.0 2.0
   48    42    51    54  -0.50800  1.0 3.0
   51    42    48    49  -0.64400  1.0 1.0
   51    42    48    49   0.26850 -1.0 2.0
   51    42    48    50  -0.07900  1.0 1.0
   51    42    48    50   0.77700 -1.0 2.0
   51    42    48    50   0.13200  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    46    47   0.19450  1.0 3.0
   43    40    46    47   0.91850  1.0 1.0
   43    40    46    47   0.57950  1.0 3.0
   46    40    43    44   0.30150 -1.0 2.0
   46    40    43    45   0.30150 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   48    51    42    38  15.00000 -1.0 2.0
   42    50    48    49  10.50000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
   44    40    43    45  10.50000 -1.0 2.0
END
