* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    107    167     312
    1     0 S   NP   _N1_     1    31.20841    99.47047   -22.04514
    2     1 S   H    _HN1     2     1.02806    14.11102    94.23274
    3     1 S   H    _H1_     3     1.02798   107.68657  -174.13378
    4     1 S   H    _H2_     4     1.03342    95.72902   -64.26391
    5     1 S   CT   _CA1     5     1.49953   122.82220    55.25694
    6     5 S   HC   _HA1     6     1.09315   104.65591  -166.92922
    7     5 S   CO3  _C1_     7     1.53663   112.89058    73.58724
    8     7 S   O2Z  _O11     8     1.26363   115.23689   -42.78942
    9     7 S   O2Z  _O12     9     1.26304   114.81371   136.59965
   10     5 S   CT   _CB1    10     1.53345   107.51923   -48.08777
   11    10 S   HC   HB11    11     1.09792   109.81205   -44.03878
   12    10 S   HC   HB12    12     1.09788   109.46676    72.51062
   13    10 S   CT   _CG1    13     1.53056   113.81168  -166.42846
   14    13 S   HC   HG11    14     1.09686   109.43824  -164.36846
   15    13 S   HC   HG12    15     1.09332   111.87410   -46.50649
   16    13 S   C    _CD1    16     1.51401   111.26582    77.72652
   17    16 S   O    _OE1    17     1.22890   121.54743    81.59170
   18    16 S   N    _N2_    18     1.38320   113.40073   -96.60757
   19    18 S   H    _HN2    19     1.01724   119.17612     0.96611
   20    18 S   CT1  _CA2    20     1.46118   123.18991   178.39112
   21    20 S   HC   _HA2    21     1.09771   109.14304     9.69128
   22    20 S   C    _C2_    22     1.53445   108.27368  -105.68697
   23    22 S   O    _O2_    23     1.23031   122.43236  -136.42537
   24    20 S   CT   _CB2    32     1.53404   112.17423   131.16261
   25    24 S   HC   HB21    33     1.09557   111.55514    62.68381
   26    24 S   HC   HB22    34     1.09591   109.45829  -179.65793
   27    22 S   N    _N3_    24     1.38503   113.54502    50.11347
   28    27 S   H    _HN3    25     1.01574   119.59675    -0.15195
   29    24 S   S    _SG2    35     1.82695   111.85154   -61.51042
   30    27 S   CT   _CA3    26     1.45362   123.02921   177.63388
   31    30 S   HC   HA31    27     1.09536   107.21764   -74.15592
   32    30 S   HC   HA32    28     1.09565   108.31351    42.29398
   33    29 S   CT   _C16    36     1.83394    99.95524   105.19143
   34    33 S   F    F1__    37     1.36501   109.42649   -35.03088
   35    33 S   F    F2__    38     1.36545   107.97007    78.57873
   36    30 S   CO3  _C3_    29     1.52919   114.37795   164.72826
   37    36 S   O2Z  _O31    30     1.26419   116.27684     5.02399
   38    36 S   O2Z  _O32    31     1.26390   114.50323  -174.42339
   39    33 S   CA   _C6_    39     1.50949   110.30365  -158.53908
   40    39 S   CA   _C5_    40     1.39894   120.96123   -83.25737
   41    40 S   HA   _H4_    41     1.08716   120.48732    -0.97217
   42    40 S   CA   _C4_    42     1.39316   120.16140   178.58764
   43    42 S   HA   _H3_    43     1.08636   119.97487  -179.79923
   44    42 S   CA   _C9_    44     1.39649   120.15971     0.21940
   45    44 S   HA   _H6_    45     1.08799   118.78027   179.70926
   46    44 S   CA   _C8_    46     1.40291   121.06230     0.19782
   47    39 S   CA   _C7_    47     1.40550   120.02487    95.68816
   48    47 S   HA   _H5_    48     1.08662   118.39045    -0.29541
   49    46 S   NE   _N4_    49     1.40692   119.08869   178.74477
   50    49 S   H    _H7_    50     1.01770   115.23640    11.77319
   51    49 S   CA   _C10    51     1.41496   130.71107  -157.56629
   52    51 S   CA   _C11    52     1.40888   119.39363  -159.98047
   53    52 S   CA   _C12    53     1.40513   117.96929   177.41079
   54    53 S   HA   _H8_    54     1.08773   120.47689   180.00000
   55    52 S   CO3  _C15    60     1.50762   123.03884    -2.68358
   56    55 S   O2Z  _O34    61     1.27112   117.35576   -30.47841
   57    55 S   O2Z  _O33    62     1.27066   116.95854   150.08188
   58    53 S   CA   _C13    55     1.38711   120.72836     0.52749
   59    58 S   HA   _H9_    56     1.08355   121.28718   179.79442
   60    58 S   CA   _C14    57     1.37693   117.47931    -0.04846
   61    60 S   HA   _H10    58     1.08505   121.01751   179.76845
   62    51 S   NB   _N5_    59     1.36077   119.49985    17.88150
  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   9   8   4   6   3   7   3   7   4   1
   7   3  10   9   9   4   4   1   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    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49  
   41    42    43    44    45    46    47    48  
   42    43    44    47  
   43    44    45    46    47    49  
   44    45    46  
   45    46    47    48    49    50    51  
   46    47    49  
   47    48    49    50    51    52    62  
   48    49    50    51  
   49  
   50    51    52    53    60    62    55  
   51    52    62  
   52    53    54    58    60    61    62    55    56    57  
   53    54    58    59    60    62    55    56    57  
   54    58    59    60    61    62    55    56    57  
   58    59    60    55  
   56    57    58    62  
   57  
    0  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.3000   0.1700  -0.633400   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.538400   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.407000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    49   481.000  1.340
   47    48   367.000  1.080
   49    50   434.000  1.010
   49    51   481.000  1.340
   51    52   469.000  1.400
   51    62   483.000  1.339
   52    53   469.000  1.400
   52    55   400.000  1.490
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   483.000  1.339
   55    56   656.000  1.250
   55    57   656.000  1.250
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    46    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    63.00000  120.00000
   44    46    49    70.00000  120.10000
   46    44    45    35.00000  120.00000
   46    47    48    35.00000  120.00000
   46    49    50    35.00000  113.50000
   46    49    51    50.00000  129.00000
   47    39    40    63.00000  120.00000
   49    46    47    70.00000  120.10000
   49    51    52    70.00000  120.10000
   49    51    62    80.00000  117.25000
   51    49    50    35.00000  113.50000
   51    52    53    63.00000  120.00000
   51    52    55    85.00000  120.00000
   51    62    60    70.00000  117.00000
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    80.00000  120.40000
   52    55    57    80.00000  120.40000
   53    58    59    35.00000  120.00000
   53    58    60    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  124.00000
   60    58    59    35.00000  120.00000
   62    51    52    70.00000  124.00000
   62    60    61    35.00000  116.00000
   55    52    53    85.00000  120.00000
   57    55    56    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   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    47    46   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    46   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    49   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -47    39   3.62500 -1.0 2.0
   44    46    47    48   3.62500 -1.0 2.0
   44    46    49    50   1.00000 -1.0 2.0
   44    46    49    51   0.17750 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    49   3.62500 -1.0 2.0
   46    49    51    52   0.17750 -1.0 2.0
   46    49    51    62   1.25000 -1.0 2.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    46    49    50   1.00000 -1.0 2.0
   47    46    49    51   0.17750 -1.0 2.0
   49    46    47    39   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    55   3.62500 -1.0 2.0
   49    51    62    60   3.62500 -1.0 2.0
   50    49    51    52   1.00000 -1.0 2.0
   50    49    51    62   1.75000 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52    53    58   3.62500 -1.0 2.0
   51    52    55    56   1.05000 -1.0 2.0
   51    52    55    57   1.05000 -1.0 2.0
   52    51    62    60   3.62500 -1.0 2.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53   -58    60   3.62500 -1.0 2.0
   53    52    55    56   1.05000 -1.0 2.0
   53    52    55    57   1.05000 -1.0 2.0
   53    58    60    61   3.62500 -1.0 2.0
   53    58    60    62   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    60   3.62500 -1.0 2.0
   58    60   -62    51   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   61    60    62    51   3.62500 -1.0 2.0
   62    51   -52    53   3.62500 -1.0 2.0
   62    51    52    55   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   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    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   47    49    46    44   4.00000 -1.0 2.0
   46    48    47    39   1.10000 -1.0 2.0
   50    46    49    51   1.00000 -1.0 2.0
   52    62    51    49   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   60    59    58    53   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
END
