* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    216     405
    1     0 S   NP   _N1_     1    29.08651    95.70672   -19.53516
    2     1 S   H    _HN1     2     1.02972    94.17162    46.24991
    3     1 S   H    _H1_     3     1.02806    38.11157   158.65029
    4     1 S   H    _H2_     4     1.02751    78.97044   -61.70810
    5     1 S   CT   _CA1     5     1.50261   146.83481  -175.87208
    6     5 S   HC   _HA1     6     1.09599   105.02825    42.59823
    7     5 S   CO3  _C1_     7     1.53884   112.55107   -76.72993
    8     7 S   O2Z  _O11     8     1.26348   115.05160   -34.18641
    9     7 S   O2Z  _O12     9     1.26292   114.95199   144.29561
   10     5 S   CT   _CB1    10     1.53084   107.16354   159.99185
   11    10 S   HC   HB11    11     1.09804   108.93568   -52.45762
   12    10 S   HC   HB12    12     1.09753   110.34740    63.75482
   13    10 S   CT   _CG1    13     1.52895   112.96052  -173.87721
   14    13 S   HC   HG11    14     1.09501   110.14595   -66.95912
   15    13 S   HC   HG12    15     1.09663   110.12292    51.80121
   16    13 S   C    _CD1    16     1.51934   112.59932   171.37318
   17    16 S   O    _OE1    17     1.22743   123.21821   -18.28967
   18    16 S   N    _N2_    18     1.38551   111.65227   164.24828
   19    18 S   H    _HN2    19     1.01584   118.78893    -2.83186
   20    18 S   CT1  _CA2    20     1.46184   123.79506   176.73427
   21    20 S   HC   _HA2    21     1.09723   109.57363    -9.36084
   22    20 S   C    _C2_    22     1.53539   107.90198  -124.77950
   23    22 S   O    _O2_    23     1.23028   122.33465  -145.32578
   24    20 S   CT   _CB2    32     1.53312   111.20362   113.31040
   25    24 S   HC   HB21    33     1.09300   109.22072    50.58592
   26    24 S   HC   HB22    34     1.09497   110.74344   168.81304
   27    22 S   N    _N3_    24     1.38542   113.40620    42.06677
   28    27 S   H    _HN3    25     1.01524   118.87163    -0.79697
   29    24 S   S    _SG2    35     1.82988   111.61017   -72.72109
   30    27 S   CT   _CA3    26     1.45426   123.46168   175.32023
   31    30 S   HC   HA31    27     1.09525   109.23497    24.74830
   32    30 S   HC   HA32    28     1.09498   107.13227   141.71564
   33    29 S   CT   _C9_    36     1.87896   102.07693   141.35317
   34    30 S   CO3  _C3_    29     1.52903   113.07151   -98.74502
   35    34 S   O2Z  _O31    30     1.26405   115.37932   -46.43183
   36    34 S   O2Z  _O32    31     1.26352   115.01050   134.51375
   37    33 S   CM   _C10    37     1.52474   108.52020   -66.80533
   38    33 S   CT   _C8_    52     1.55240   106.95944    59.83547
   39    38 S   HC   _H12    53     1.09986   108.54791    56.20836
   40    38 S   HC   _H13    54     1.09650   111.28791   -59.37602
   41    33 S   CT   _C18    68     1.54774   105.10129   175.00033
   42    41 S   HC   _H18    69     1.09708   111.53182   -69.97852
   43    41 S   HC   _H19    70     1.09622   111.22351   170.36748
   44    41 S   HC   _H20    71     1.09571   113.18798    50.40777
   45    37 S   CMA  _C11    38     1.35741   127.27111   -61.92121
   46    45 S   OM   _O35    39     1.25535   137.45165    -0.64559
   47    45 S   CM   _C12    40     1.44892   109.03734   177.02244
   48    47 S   HC   _H14    41     1.08242   124.83260  -174.96133
   49    47 S   CM   _C13    42     1.33946   110.48391     1.60949
   50    37 S   CT   _C14    43     1.53211   123.59113   118.94007
   51    50 S   HC   _H5_    44     1.09634   110.80074   -61.73965
   52    49 S   CT   _C17    64     1.48622   126.04103  -174.24408
   53    52 S   HC   _H15    65     1.09441   110.42791   130.12198
   54    52 S   HC   _H16    66     1.09539   111.26843    10.84609
   55    52 S   HC   _H17    67     1.09298   111.26556  -108.91808
   56    50 S   CT   _C15    45     1.53761   111.23254    62.67222
   57    56 S   HC   _H6_    46     1.09971   110.28836    42.92546
   58    56 S   CT   _C6_    47     1.52060   113.19572   -82.77771
   59    58 S   HC   _H4_    48     1.10080   109.04932   -49.15175
   60    58 S   CT   _C7_    49     1.52039   114.80602    73.35045
   61    60 S   HC   _H10    50     1.09723   108.31153   172.29949
   62    60 S   HC   _H11    51     1.09435   111.10544    56.38908
   63    58 S   CT   _C5_    55     1.52601   101.03260  -162.70974
   64    63 S   HC   _H3_    56     1.09641   111.43100   -77.62634
   65    63 S   CO4  _C16    57     1.50933   100.47700    36.71834
   66    65 S   O    _O34    58     1.22069   126.34300   160.68268
   67    63 S   CT   _C4_    60     1.51892   113.52505   156.58216
   68    67 S   HC   _H7_    61     1.09563   111.52682   -57.50502
   69    67 S   HC   _H8_    62     1.09542   110.56310  -176.66481
   70    67 S   HC   _H9_    63     1.09404   111.23109    63.51197
   71    56 S   OS   _O33    59     1.43812   112.62185   162.27209
  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  12   5   4   3
  19   2   1   1  20  15   6   5   6   2   1   1   8   4   9   3
  10  13   5   4   2   1   1  12   6  13   8   7   2   1   8   7
   6   2   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    50    60    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    47    49    50    51    56    58    60    61    62    38    39    40    41    42    43    44  
   35    36  
   36  
    0  
   45    46    47    48    49    50    51    56    57    58    60    38    39    40    71    52    41    42    43    44  
   39    40    63    41    42    43    44    45    50    56    58    59    60    61    62  
   40    41    58    60    61    62  
   41    58    60    61    62  
   42    43    44    45    50    60  
   43    44  
   44  
    0  
   46    47    48    49    50    51    56    52  
   47    48    49    50  
   48    49    50    51    56    52    53    54    55  
   49    50    52  
   50    51    56    57    58    71    52    53    54    55  
   51    56    57    58    59    60    63    65    71    52    53    54    55  
   56    57    58    71    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    64    65    66    71    67  
   58    59    60    63    65    71  
   59    60    61    62    63    64    65    66    71    67    68    69    70  
   60    61    62    63    64    65    71    67  
   61    62    63    64    65    71    67  
   62    63  
   63  
   64    65    66    71    67    68    69    70  
   65    66    71    67    68    69    70  
   66    71    67    68    69    70  
   71    67  
   68    69    70    71  
   69    70  
   70  
    0  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    41   268.000  1.529
   37    45   465.000  1.376
   37    50   317.000  1.510
   45    46   745.000  1.250
   45    47   465.000  1.376
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    71   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    38   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    67   268.000  1.529
   65    66   570.000  1.229
   65    71   214.000  1.327
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    45    70.00000  124.00000
   33    37    50    65.00000  117.92700
   33    38    60    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    65.00000  137.10300
   37    45    47    70.00000  123.01800
   37    50    49    70.00000  110.12100
   37    50    51    35.00000  109.50000
   37    50    56    70.00000  112.02700
   45    47    48    40.00000  120.50800
   45    47    49    70.00000  117.34000
   47    45    46    65.00000  137.10300
   47    49    50    70.00000  124.00000
   47    49    52    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    37    45    70.00000  124.00000
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    71    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    63    58.35000  112.70000
   56    71    65    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    38    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    63.00000  111.10000
   58    63    67    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    38    39    37.50000  110.70000
   60    38    40    37.50000  110.70000
   62    60    61    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    60    61    37.50000  110.70000
   38    60    62    37.50000  110.70000
   40    38    39    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    58.35000  112.70000
   63    65    66    80.00000  120.40000
   63    65    71    81.00000  111.40000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   65    63    64    35.00000  109.50000
   71    56    57    35.00000  109.50000
   71    56    58    50.00000  109.50000
   71    65    66    83.00000  123.40000
   67    63    64    37.50000  110.70000
   67    63    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   41    33    37    70.00000  112.02700
   41    33    38    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    37    50   0.30250  1.0 1.0
   29    33    37    50  -0.14950 -1.0 2.0
   29    33    37    50   0.36900  1.0 3.0
   29    33    38    60   0.44750  1.0 1.0
   29    33    38    60  -0.17800 -1.0 2.0
   29    33    38    60   0.20200  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    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    47   7.00000 -1.0 2.0
   33    37    50    49   0.09700  1.0 1.0
   33    37    50    49   0.15600 -1.0 2.0
   33    37    50    49  -0.50800  1.0 3.0
   33    37    50    51   0.34800  1.0 3.0
   33    37    50    56   0.46850  1.0 1.0
   33    37    50    56   0.08550 -1.0 2.0
   33    37    50    56   0.09800  1.0 3.0
   37    33    38    60   0.34400  1.0 1.0
   37    33    38    60   0.09450 -1.0 2.0
   37    33    38    60   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    47    48   7.00000 -1.0 2.0
   37    45   -47    49   7.00000 -1.0 2.0
   37    50    56    57   0.15000  1.0 3.0
   37    50    56    58   0.34400  1.0 1.0
   37    50    56    58   0.09450 -1.0 2.0
   37    50    56    58   0.11100  1.0 3.0
   37    50    56    71   0.61850  1.0 1.0
   37    50    56    71  -0.22750 -1.0 2.0
   37    50    56    71   0.15300  1.0 3.0
   45    37   -50    49  -0.28300  1.0 1.0
   45    37   -50    49   0.26700 -1.0 2.0
   45    37   -50    49  -0.63300  1.0 3.0
   45    37    50    51   0.00000  1.0 1.0
   45    37    50    56   0.09850  1.0 1.0
   45    37    50    56   0.15250 -1.0 2.0
   45    37    50    56  -0.50650  1.0 3.0
   45    47   -49    50   7.00000 -1.0 2.0
   45    47    49    52   7.00000 -1.0 2.0
   46    45    47    48   7.00000 -1.0 2.0
   46    45    47    49   7.00000 -1.0 2.0
   47    49   -50    37  -0.28300  1.0 1.0
   47    49   -50    37   0.26700 -1.0 2.0
   47    49   -50    37  -0.63300  1.0 3.0
   47    49    50    51   0.00000  1.0 1.0
   47    49    50    56   0.09850  1.0 1.0
   47    49    50    56   0.15250 -1.0 2.0
   47    49    50    56  -0.50650  1.0 3.0
   47    49    52    53   0.00000  1.0 1.0
   47    49    52    54   0.00000  1.0 1.0
   47    49    52    55   0.00000  1.0 1.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.34400  1.0 1.0
   49    50    56    58   0.09450 -1.0 2.0
   49    50    56    58   0.11100  1.0 3.0
   49    50    56    71   0.61850  1.0 1.0
   49    50    56    71  -0.22750 -1.0 2.0
   49    50    56    71   0.15300  1.0 3.0
   50    37    45    46   7.00000 -1.0 2.0
   50    37   -45    47   7.00000 -1.0 2.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    58    59   0.15000  1.0 3.0
   50    56    58    60   0.56750  1.0 1.0
   50    56    58    60  -0.07550 -1.0 2.0
   50    56    58    60   0.20000  1.0 3.0
   50    56    58    63   0.56750  1.0 1.0
   50    56    58    63  -0.07550 -1.0 2.0
   50    56    58    63   0.20000  1.0 3.0
   50    56    71    65  -0.25900  1.0 1.0
   50    56    71    65  -0.47000 -1.0 2.0
   50    56    71    65   0.11750  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    71   0.23400  1.0 3.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    62   0.15000  1.0 3.0
   56    58    60    38   0.56750  1.0 1.0
   56    58    60    38  -0.07550 -1.0 2.0
   56    58    60    38   0.20000  1.0 3.0
   56    58    63    64   0.15000  1.0 3.0
   56    58   -63    65  -0.95700  1.0 1.0
   56    58   -63    65  -0.18200 -1.0 2.0
   56    58   -63    65   0.29450  1.0 3.0
   56    58    63    67   0.56750  1.0 1.0
   56    58    63    67  -0.07550 -1.0 2.0
   56    58    63    67   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    71    65   0.08050  1.0 3.0
   58    56   -71    65  -0.25900  1.0 1.0
   58    56   -71    65  -0.47000 -1.0 2.0
   58    56   -71    65   0.11750  1.0 3.0
   58    60    38    33   0.56750  1.0 1.0
   58    60    38    33  -0.07550 -1.0 2.0
   58    60    38    33   0.20000  1.0 3.0
   58    60    38    39   0.15000  1.0 3.0
   58    60    38    40   0.15000  1.0 3.0
   58    63    65    66   0.30150 -1.0 2.0
   58    63   -65    71   0.36750  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63    67    70   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    38   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65  -0.11250  1.0 3.0
   59    58    63    67   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65  -0.95700  1.0 1.0
   60    58    63    65  -0.18200 -1.0 2.0
   60    58    63    65   0.29450  1.0 3.0
   60    58    63    67   0.56750  1.0 1.0
   60    58    63    67  -0.07550 -1.0 2.0
   60    58    63    67   0.20000  1.0 3.0
   61    60    38    33   0.15000  1.0 3.0
   61    60    38    39   0.15000  1.0 3.0
   61    60    38    40   0.15000  1.0 3.0
   62    60    38    33   0.15000  1.0 3.0
   62    60    38    39   0.15000  1.0 3.0
   62    60    38    40   0.15000  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    37    50   0.46850  1.0 1.0
   38    33    37    50   0.08550 -1.0 2.0
   38    33    37    50   0.09800  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    44   0.15000  1.0 3.0
   63    58    60    61   0.15000  1.0 3.0
   63    58    60    62   0.15000  1.0 3.0
   63    58    60    38   0.56750  1.0 1.0
   63    58    60    38  -0.07550 -1.0 2.0
   63    58    60    38   0.20000  1.0 3.0
   63    65   -71    56   1.63150  1.0 1.0
   63    65   -71    56   2.92000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   65    63    67    68  -0.11250  1.0 3.0
   65    63    67    69  -0.11250  1.0 3.0
   65    63    67    70  -0.11250  1.0 3.0
   66    65    71    56   3.00000 -1.0 2.0
   71    56    58    59   0.23400  1.0 3.0
   71    56    58    60   0.62750  1.0 1.0
   71    56    58    60  -0.30950 -1.0 2.0
   71    56    58    60   0.27300  1.0 3.0
   71    56   -58    63   0.62750  1.0 1.0
   71    56   -58    63  -0.30950 -1.0 2.0
   71    56   -58    63   0.27300  1.0 3.0
   67    63    65    66   0.30150 -1.0 2.0
   67    63    65    71   0.36750  1.0 3.0
   52    49    50    37   0.09700  1.0 1.0
   52    49    50    37   0.15600 -1.0 2.0
   52    49    50    37  -0.50800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    37    50   0.46850  1.0 1.0
   41    33    37    50   0.08550 -1.0 2.0
   41    33    37    50   0.09800  1.0 3.0
   41    33    38    60   0.56750  1.0 1.0
   41    33    38    60  -0.07550 -1.0 2.0
   41    33    38    60   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    50    37    45   1.10000 -1.0 2.0
   47    46    45    37   1.10000 -1.0 2.0
   45    48    47    49   1.10000 -1.0 2.0
   50    52    49    47   1.10000 -1.0 2.0
   63    71    65    66  10.50000 -1.0 2.0
END
