* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    176     343
    1     0 S   NP   _N1_     1    28.99087    93.59519   -22.79024
    2     1 S   H    _HN1     2     1.02957    89.05760    24.97010
    3     1 S   H    _H1_     3     1.02833    22.73018   167.82997
    4     1 S   H    _H2_     4     1.02773   101.71409   -83.61377
    5     1 S   CT   _CA1     5     1.50125   131.67418   141.74686
    6     5 S   HC   _HA1     6     1.09573   105.22435    69.34371
    7     5 S   CO3  _C1_     7     1.53765   112.40709   -50.85063
    8     7 S   O2Z  _O11     8     1.26358   114.99885   -42.76066
    9     7 S   O2Z  _O12     9     1.26241   114.92271   136.37009
   10     5 S   CT   _CB1    10     1.53049   107.41596  -172.75316
   11    10 S   HC   HB11    11     1.09811   109.25593   -50.84891
   12    10 S   HC   HB12    12     1.09810   110.41534    65.72731
   13    10 S   CT   _CG1    13     1.52992   112.77668  -171.93209
   14    13 S   HC   HG11    14     1.09589   110.45066   -64.54359
   15    13 S   HC   HG12    15     1.09646   110.03419    54.75975
   16    13 S   C    _CD1    16     1.51762   112.17488   175.01084
   17    16 S   O    _OE1    17     1.22740   123.25279    -2.64560
   18    16 S   N    _N2_    18     1.38715   111.74856   177.66947
   19    18 S   H    _HN2    19     1.01575   119.22475     1.29180
   20    18 S   CT1  _CA2    20     1.46026   122.94215   180.00000
   21    20 S   HC   _HA2    21     1.09660   109.03299    -5.36436
   22    20 S   C    _C2_    22     1.53433   108.89814  -120.70672
   23    22 S   O    _O2_    23     1.23039   122.08837  -147.30907
   24    20 S   CT   _CB2    32     1.53435   112.22510   116.21621
   25    24 S   HC   HB21    33     1.09587   110.52472    61.24513
   26    24 S   HC   HB22    34     1.09443   109.43571   179.29335
   27    22 S   N    _N3_    24     1.38458   113.53805    40.19124
   28    27 S   H    _HN3    25     1.01507   118.96069    -0.77506
   29    24 S   S    _SG2    35     1.82796   112.20225   -58.96320
   30    27 S   CT   _CA3    26     1.45444   123.47408   174.81605
   31    30 S   HC   HA31    27     1.09519   109.30793    23.71064
   32    30 S   HC   HA32    28     1.09496   107.13015   140.73675
   33    29 S   CT   _C15    36     1.82558    99.95694  -147.60802
   34    33 S   HC   _H16    37     1.09539   107.26602  -158.77869
   35    33 S   HC   _H17    38     1.09536   108.91389   -43.79239
   36    30 S   CO3  _C3_    29     1.52914   112.96410   -99.79116
   37    36 S   O2Z  _O31    30     1.26410   115.33817   -46.38428
   38    36 S   O2Z  _O32    31     1.26343   115.02663   134.49234
   39    33 S   CT   _C14    39     1.53484   113.56137    79.34642
   40    39 S   HC   _H14    40     1.09851   108.15843  -178.13785
   41    39 S   HC   _H15    41     1.09445   109.86364   -64.74066
   42    39 S   CM   _C6_    42     1.50424   114.15017    60.98914
   43    42 S   CM   _C5_    43     1.34746   128.94787  -107.10843
   44    43 S   N    _N4_    44     1.40292   113.83120   179.13679
   45    43 S   CT   _C4_    65     1.49843   125.78584    -0.05595
   46    45 S   HC   _H3_    66     1.09400   111.01451   120.41743
   47    45 S   HC   _H4_    67     1.09228   112.90229     0.74178
   48    45 S   HC   _H5_    68     1.09467   110.62028  -118.59918
   49    44 S   CDS  _C7_    45     1.40156   114.42188     1.10394
   50    49 S   SD   _S2_    46     1.66915   129.38454  -179.39672
   51    44 S   CT   _C8_    48     1.47372   121.78757  -177.56426
   52    51 S   HC   _H6_    49     1.09559   107.63147   -42.40038
   53    51 S   HC   _H7_    50     1.09513   109.11027  -157.02038
   54    42 S   S    _S1_    47     1.74501   119.54281    73.79818
   55    51 S   CA   _C9_    51     1.51069   115.53779    81.58922
   56    55 S   CA   _C10    52     1.38868   123.14982    17.51338
   57    56 S   HA   _H8_    53     1.08518   121.95195    -0.96429
   58    56 S   NB   _N5_    54     1.34815   124.62170   179.33295
   59    58 S   CQ   _C11    55     1.34302   115.56624    -0.02798
   60    59 S   NB   _N6_    56     1.34813   125.18974    -0.38257
   61    59 S   CT   _C13    61     1.49478   117.69921   178.78630
   62    61 S   HC   _H11    62     1.09415   110.16044   131.21214
   63    61 S   HC   _H12    63     1.09382   109.80410  -108.89624
   64    61 S   HC   _H13    64     1.09425   111.05884    11.25669
   65    55 S   CA   _C12    57     1.39644   121.77010  -164.82160
   66    65 S   NE   _N7_    58     1.39190   120.95954     2.45184
   67    66 S   H    _H9_    59     1.01131   119.23595   -33.86017
   68    66 S   H    _H10    60     1.01287   116.01209   177.91569
  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   7   5   4   3
   8   5   4   2   1   1   8   4   3  10  12  13   6   2   1   1
   6   2  10   4   3   1   9   7   3   7   7   8   4   2   1   1
   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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    49    54    45  
   41    42    43    54  
   42    43    54  
   43    44    49    50    54    51    45    46    47    48  
   44    49    50    54    51    52    53    55    45    46    47    48  
   49    50    54    51    52    53    55    56    65    45    46    47    48  
   46    47    48    49    51    54  
   47    48  
   48  
    0  
   50    54    51    52    53    55  
   54    51  
   52    53    55    56    57    58    60    65    66    54  
   53    55    56    65  
   55    56    65  
    0  
   56    57    58    59    60    65    66    67    68  
   57    58    59    60    65    66    61  
   58    59    65  
   59    60    65    61    62    63    64  
   60    65    66    61    62    63    64  
   65    66    67    68    61    62    63    64  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    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   0.047500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.073200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.2500   0.1700  -0.119300   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.606200   2.0020   1.7750   0.023028004  -0.852763146
   50   4.1000   0.3950  -0.476200   2.3050   2.0500   0.025682759  -1.666211680
   51   3.5000   0.0660   0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.6000   0.3550  -0.015000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   61   3.5000   0.0660  -0.065000   2.4950   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   317.000  1.510
   42    43   549.000  1.340
   42    54   240.000  1.763
   43    44   400.000  1.384
   43    45   317.000  1.510
   44    49   575.000  1.347
   44    51   337.000  1.449
   49    50   340.000  1.659
   49    54   275.000  1.748
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.510
   55    56   469.000  1.400
   55    65   469.000  1.400
   56    57   367.000  1.080
   56    58   483.000  1.339
   58    59   502.000  1.324
   59    60   502.000  1.324
   59    61   317.000  1.510
   60    65   483.000  1.339
   65    66   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   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    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    70.00000  112.02700
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    70.00000  124.00000
   39    42    54    65.00000  117.37300
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    75.00000  120.83300
   42    43    45    70.00000  124.00000
   42    54    49    80.00000  100.00000
   43    44    49    70.00000  122.78000
   43    44    51    70.00000  119.94800
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    35.00000  109.50000
   44    49    50    70.00000  124.36000
   44    49    54    80.00000  114.28000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    55    75.00000  111.96400
   54    42    43    65.00000  122.11800
   54    49    50    70.00000  123.77800
   51    44    49    70.00000  120.09200
   51    55    56    70.00000  120.00000
   51    55    65    70.00000  120.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    58    70.00000  124.00000
   55    65    60    70.00000  124.00000
   55    65    66    70.00000  120.10000
   56    58    59    70.00000  118.60000
   58    56    57    35.00000  116.00000
   58    59    60    70.00000  129.10000
   58    59    61    75.00000  115.74700
   59    60    65    70.00000  118.60000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   60    65    66    80.00000  117.25000
   65    55    56    63.00000  120.00000
   65    66    67    35.00000  113.50000
   65    66    68    35.00000  113.50000
   68    66    67    35.00000  109.00000
   61    59    60    75.00000  115.74700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    43    44    70.00000  113.82800
   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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.09850  1.0 1.0
   33    39    42    43   0.15250 -1.0 2.0
   33    39    42    43  -0.50650  1.0 3.0
   33    39    42    54   0.09700  1.0 1.0
   33    39    42    54   0.15600 -1.0 2.0
   33    39    42    54  -0.50800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   7.00000 -1.0 2.0
   39    42    43    45   7.00000 -1.0 2.0
   39    42    54    49   1.00000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    54   0.00000  1.0 1.0
   41    39    42    43   0.00000  1.0 1.0
   41    39    42    54   0.00000  1.0 1.0
   42    43   -44    49  -0.18900  1.0 1.0
   42    43   -44    49   1.70900 -1.0 2.0
   42    43    44    51  -0.88150  1.0 1.0
   42    43    44    51   2.95600 -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    42   -54    49   1.00000 -1.0 2.0
   43    44    49    50   2.00000 -1.0 2.0
   43    44   -49    54   2.45000 -1.0 2.0
   43    44    51    52   0.00000  1.0 1.0
   43    44    51    53   0.00000  1.0 1.0
   43    44    51    55   0.17850 -1.0 2.0
   44    43    45    46  -0.18050  1.0 3.0
   44    43    45    47  -0.18050  1.0 3.0
   44    43    45    48  -0.18050  1.0 3.0
   44    49   -54    42   2.50000 -1.0 2.0
   44    51    55    56  -0.24500  1.0 1.0
   44    51    55    56   0.48300 -1.0 2.0
   44    51    55    56   0.08900  1.0 3.0
   44    51    55    65  -0.24500  1.0 1.0
   44    51    55    65   0.48300 -1.0 2.0
   44    51    55    65   0.08900  1.0 3.0
   49    44    51    52   0.00000  1.0 1.0
   49    44    51    53   0.00000  1.0 1.0
   49    44    51    55  -0.69800  1.0 1.0
   49    44    51    55  -0.21350 -1.0 2.0
   50    49    54    42   2.50000 -1.0 2.0
   54    42   -43    44   7.00000 -1.0 2.0
   54    42    43    45   7.00000 -1.0 2.0
   51    44    49    50   3.39850 -1.0 2.0
   51    44    49    54   2.45000 -1.0 2.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55    65    60   3.62500 -1.0 2.0
   51    55    65    66   3.62500 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    65   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    65   0.00000  1.0 1.0
   55    56    58    59   3.62500 -1.0 2.0
   55    65    66    67   1.00000 -1.0 2.0
   55    65    66    68   1.00000 -1.0 2.0
   56    55    65    60   3.62500 -1.0 2.0
   56    55    65    66   3.62500 -1.0 2.0
   56    58   -59    60   3.62500 -1.0 2.0
   56    58    59    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   58    59    60    65   3.62500 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    64   0.00000  1.0 1.0
   59    60   -65    55   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.00000  1.0 1.0
   60    65    66    67   1.75000 -1.0 2.0
   60    65    66    68   1.75000 -1.0 2.0
   65    55    56    57   3.62500 -1.0 2.0
   65    55   -56    58   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   45    43    44    49  -0.45200  1.0 1.0
   45    43    44    49   0.85900 -1.0 2.0
   45    43    44    49   0.16650  1.0 3.0
   45    43    44    51   1.00000 -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
   39    54    42    43   1.10000 -1.0 2.0
   45    44    43    42   1.10000 -1.0 2.0
   51    49    44    43   1.00000 -1.0 2.0
   44    54    49    50  10.50000 -1.0 2.0
   56    65    55    51   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   61    60    59    58   4.00000 -1.0 2.0
   60    66    65    55   4.00000 -1.0 2.0
   68    65    66    67   1.00000 -1.0 2.0
END
