* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    138    212     412
    1     0 S   NP   _N1_     1    28.76866    95.48021   -23.45500
    2     1 S   H    _HN1     2     1.02949    79.05522     8.98244
    3     1 S   H    _H1_     3     1.02828    31.37191   162.07530
    4     1 S   H    _H2_     4     1.02785   104.56796   -97.35338
    5     1 S   CT   _CA1     5     1.50111   135.70042   117.05477
    6     5 S   HC   _HA1     6     1.09572   105.19891    82.43336
    7     5 S   CO3  _C1_     7     1.53789   112.45896   -37.80607
    8     7 S   O2Z  _O11     8     1.26371   115.00662   -42.63737
    9     7 S   O2Z  _O12     9     1.26240   114.94862   136.50120
   10     5 S   CT   _CB1    10     1.53081   107.42151  -159.58288
   11    10 S   HC   HB11    11     1.09832   109.37690   -49.75054
   12    10 S   HC   HB12    12     1.09813   110.44630    66.85982
   13    10 S   CT   _CG1    13     1.52986   112.60085  -170.73130
   14    13 S   HC   HG11    14     1.09583   110.62042   -65.48494
   15    13 S   HC   HG12    15     1.09670   109.79569    53.74419
   16    13 S   C    _CD1    16     1.51798   112.24240   174.19937
   17    16 S   O    _OE1    17     1.22730   123.29388     6.45227
   18    16 S   N    _N2_    18     1.38648   111.65247  -173.63216
   19    18 S   H    _HN2    19     1.01576   118.95965     1.72714
   20    18 S   CT1  _CA2    20     1.46222   123.41093   177.71775
   21    20 S   HC   _HA2    21     1.09743   109.35865     2.63982
   22    20 S   C    _C2_    22     1.53569   108.59584  -112.78367
   23    22 S   O    _O2_    23     1.23045   122.31784  -148.34543
   24    20 S   CT   _CB2    32     1.53521   111.63212   124.57886
   25    24 S   HC   HB21    33     1.09552   109.42620    55.98581
   26    24 S   HC   HB22    34     1.09175   109.63307   174.52528
   27    22 S   N    _N3_    24     1.38342   113.71130    39.14048
   28    27 S   H    _HN3    25     1.01578   119.58178    -3.34802
   29    24 S   S    _SG2    35     1.83459   110.85504   -64.05728
   30    27 S   CT   _CA3    26     1.45283   123.20823   177.11744
   31    30 S   HC   HA31    27     1.09549   107.51154   -64.58656
   32    30 S   HC   HA32    28     1.09557   107.98633    51.85417
   33    29 S   CT   _C10    36     1.92674   103.80040  -165.75170
   34    30 S   CO3  _C3_    29     1.52960   114.07585   173.85130
   35    34 S   O2Z  _O31    30     1.26377   116.06668    -0.62870
   36    34 S   O2Z  _O32    31     1.26428   114.41308   179.43248
   37    33 S   CT   _C15    37     1.62013   107.32916  -148.79946
   38    33 S   CM   _C9_    63     1.53870   105.86218   -33.46544
   39    38 S   HC   _H9_    64     1.08850   113.81558   -50.04639
   40    37 S   CT   _C14    38     1.55342   111.06406   -68.02174
   41    40 S   HC   _H12    39     1.09907   110.14033  -174.84364
   42    40 S   HC   _H13    40     1.09833   110.53011    70.63293
   43    37 S   CT   _C16    55     1.55916   113.64119    51.97044
   44    43 S   HC   _H14    56     1.09420   112.13823    59.91190
   45    43 S   HC   _H15    57     1.09354   112.86164   -62.68661
   46    43 S   HC   _H16    58     1.09747   110.59463   178.73886
   47    37 S   CT   _C17    59     1.55581   112.44518   170.55764
   48    47 S   HC   _H17    60     1.09479   111.83765   -60.22565
   49    47 S   HC   _H18    61     1.09735   110.62259  -178.86340
   50    47 S   HC   _H19    62     1.09041   113.51482    62.17711
   51    38 S   CM   _C8_    65     1.34495   129.05621   130.61575
   52    51 S   HC   _H8_    66     1.08324   118.49807     0.69408
   53    40 S   CT   _C13    41     1.52363   114.05263   -52.40432
   54    53 S   HC   _H3_    42     1.09496   110.77685   -67.37858
   55    51 S   CM   _C5_    67     1.46288   126.40425  -179.97202
   56    53 S   CT   _C12    43     1.52335   111.58804    55.66385
   57    56 S   HC   _H10    44     1.09743   109.68419    68.63511
   58    56 S   HC   _H11    45     1.09925   107.50798  -177.75999
   59    53 S   OH   _O35    53     1.42693   109.19590   175.12938
   60    59 S   HO   _H20    54     0.97246   107.52711    58.68028
   61    55 S   CM   _C6_    68     1.34714   123.09668   178.09299
   62    61 S   HC   _H7_    69     1.09072   119.13979   177.37445
   63    55 S   CT   _C4_    73     1.50920   118.14682    -2.88900
   64    63 S   HC   _H4_    74     1.09556   110.72038    61.87344
   65    63 S   HC   _H5_    75     1.09588   112.26765  -178.68895
   66    63 S   HC   _H6_    76     1.09556   110.77956   -59.19400
   67    33 S   CT   _C11    46     1.59960   107.37498    92.11216
   68    61 S   CO3  _C7_    70     1.53100   125.54220    -1.31179
   69    68 S   O2Z  _O34    71     1.26447   114.34849   121.69512
   70    68 S   O2Z  _O33    72     1.26319   115.85617   -60.23904
   71    67 S   CT   _C18    47     1.54258   115.71792   -56.77594
   72    71 S   HC   _H21    48     1.09270   112.28699   -55.28179
   73    71 S   HC   _H22    49     1.09739   110.50049  -172.60325
   74    71 S   HC   _H23    50     1.09359   112.64481    67.93192
   75    67 S   OH   _O36    51     1.43711   109.26622  -176.32454
   76    75 S   HO   _H24    52     0.97241   108.65893   178.56060
  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
  28   2   1   1  21  13   4  18   7   6   9   3   2   1   5   2
   1   1  10   3   9   6   9  11   5   4   2   1   8   4   4   2
   1   1   6   2   1   1   5   3   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    67    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    67    71    75    43    47    38    39    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    53    56    57    58    67    71    72    73    74    75    76    43    44    45    46    47    48    49    50    38    39    51    52    55  
   35    36  
   36  
    0  
   40    41    42    53    54    56    67    71    75    59    43    44    45    46    47    48    49    50    38    39    51  
   39    51    52    55    61    63    40    43    47    56    67    71    75  
   51    52    55    67  
   41    42    53    54    56    57    58    67    59    60    43    44    45    46    47    48    49    50  
   42    53    54    56    59    43    47  
   53    54    56    59    43    47  
   44    45    46    47    48    49    50    53    67  
   45    46    47  
   46    47  
   47  
   48    49    50    53    67  
   49    50  
   50  
    0  
   52    55    61    62    68    63    64    65    66    67  
   55    61    63  
   54    56    57    58    67    71    75    59    60  
   56    57    58    67    59    60  
   61    62    68    69    70    63    64    65    66  
   57    58    67    71    72    73    74    75    76    59    60  
   58    67    71    75    59  
   67    71    75    59  
   60    67  
    0  
   62    68    69    70    63    64    65    66  
   68    69    70    63  
   64    65    66    68  
   65    66  
   66  
    0  
   71    72    73    74    75    76  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   76  
    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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    67   268.000  1.529
   33    38   317.000  1.510
   37    40   268.000  1.529
   37    43   268.000  1.529
   37    47   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    53   268.000  1.529
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    67   268.000  1.529
   67    71   268.000  1.529
   67    75   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   59    60   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   340.000  1.080
   38    51   549.000  1.340
   51    52   340.000  1.080
   51    55   380.000  1.444
   55    61   549.000  1.340
   55    63   317.000  1.510
   61    62   340.000  1.080
   61    68   230.000  1.545
   68    69   656.000  1.250
   68    70   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  111.63000
   29    33    67    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    37    47    58.35000  112.70000
   33    67    56    58.35000  112.70000
   33    67    71    58.35000  112.70000
   33    67    75    50.00000  109.50000
   33    38    39    35.00000  117.00000
   33    38    51    70.00000  124.00000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    53    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    37.50000  110.70000
   40    53    54    37.50000  110.70000
   40    53    56    58.35000  112.70000
   40    53    59    50.00000  109.50000
   42    40    41    33.00000  107.80000
   53    40    41    37.50000  110.70000
   53    40    42    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    67    58.35000  112.70000
   53    59    60    55.00000  108.50000
   56    53    54    37.50000  110.70000
   56    67    71    58.35000  112.70000
   56    67    75    50.00000  109.50000
   58    56    57    33.00000  107.80000
   67    33    37    58.35000  112.70000
   67    56    57    37.50000  110.70000
   67    56    58    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   67    75    76    55.00000  108.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    71    50.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
   43    37    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    37    40    58.35000  112.70000
   47    37    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    67    70.00000  112.02700
   38    51    52    35.00000  120.00000
   38    51    55    70.00000  123.01800
   51    38    39    35.00000  120.00000
   51    55    61    70.00000  123.01800
   51    55    63    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    61    62    35.00000  120.00000
   55    61    68    55.00000  124.75400
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    68    69    85.00000  113.83300
   61    68    70    85.00000  113.83300
   68    61    62    40.00000  118.53000
   70    68    69    80.00000  126.00000
   63    55    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    67    56   0.44750  1.0 1.0
   29    33    67    56  -0.17800 -1.0 2.0
   29    33    67    56   0.20200  1.0 3.0
   29    33    67    71   0.44750  1.0 1.0
   29    33    67    71  -0.17800 -1.0 2.0
   29    33    67    71   0.20200  1.0 3.0
   29    33    67    75   0.56750  1.0 1.0
   29    33    67    75  -0.07550 -1.0 2.0
   29    33    67    75   0.20000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    51   0.42700  1.0 1.0
   29    33    38    51  -0.70350 -1.0 2.0
   29    33    38    51  -0.43150  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    53   0.56750  1.0 1.0
   33    37    40    53  -0.07550 -1.0 2.0
   33    37    40    53   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.15000  1.0 3.0
   33    67    71    72   0.15000  1.0 3.0
   33    67    71    73   0.15000  1.0 3.0
   33    67    71    74   0.15000  1.0 3.0
   33    67    75    76  -0.11600  1.0 1.0
   33    67    75    76  -0.09450 -1.0 2.0
   33    67    75    76   0.21250  1.0 3.0
   33    38    51    52   7.00000 -1.0 2.0
   33    38    51    55   7.00000 -1.0 2.0
   37    33    67    56   0.56750  1.0 1.0
   37    33    67    56  -0.07550 -1.0 2.0
   37    33    67    56   0.20000  1.0 3.0
   37    33    67    71   0.56750  1.0 1.0
   37    33    67    71  -0.07550 -1.0 2.0
   37    33    67    71   0.20000  1.0 3.0
   37    33    67    75   0.86500  1.0 1.0
   37    33    67    75  -0.17500 -1.0 2.0
   37    33    67    75   0.20800  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    51   0.09850  1.0 1.0
   37    33    38    51   0.15250 -1.0 2.0
   37    33    38    51  -0.50650  1.0 3.0
   37    40    53    54   0.15000  1.0 3.0
   37    40   -53    56   0.56750  1.0 1.0
   37    40   -53    56  -0.07550 -1.0 2.0
   37    40   -53    56   0.20000  1.0 3.0
   37    40    53    59   0.86500  1.0 1.0
   37    40    53    59  -0.17500 -1.0 2.0
   37    40    53    59   0.20800  1.0 3.0
   40    37    43    44   0.15000  1.0 3.0
   40    37    43    45   0.15000  1.0 3.0
   40    37    43    46   0.15000  1.0 3.0
   40    37    47    48   0.15000  1.0 3.0
   40    37    47    49   0.15000  1.0 3.0
   40    37    47    50   0.15000  1.0 3.0
   40    53    56    57   0.15000  1.0 3.0
   40    53    56    58   0.15000  1.0 3.0
   40    53    56    67   0.56750  1.0 1.0
   40    53    56    67  -0.07550 -1.0 2.0
   40    53    56    67   0.20000  1.0 3.0
   40    53    59    60  -0.11600  1.0 1.0
   40    53    59    60  -0.09450 -1.0 2.0
   40    53    59    60   0.21250  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    56   0.15000  1.0 3.0
   41    40    53    59   0.23400  1.0 3.0
   42    40    53    54   0.15000  1.0 3.0
   42    40    53    56   0.15000  1.0 3.0
   42    40    53    59   0.23400  1.0 3.0
   53    56   -67    33   0.56750  1.0 1.0
   53    56   -67    33  -0.07550 -1.0 2.0
   53    56   -67    33   0.20000  1.0 3.0
   53    56    67    71   0.56750  1.0 1.0
   53    56    67    71  -0.07550 -1.0 2.0
   53    56    67    71   0.20000  1.0 3.0
   53    56    67    75   0.86500  1.0 1.0
   53    56    67    75  -0.17500 -1.0 2.0
   53    56    67    75   0.20800  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    67   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   56    53    59    60  -0.11600  1.0 1.0
   56    53    59    60  -0.09450 -1.0 2.0
   56    53    59    60   0.21250  1.0 3.0
   56    67    71    72   0.15000  1.0 3.0
   56    67    71    73   0.15000  1.0 3.0
   56    67    71    74   0.15000  1.0 3.0
   56    67    75    76  -0.11600  1.0 1.0
   56    67    75    76  -0.09450 -1.0 2.0
   56    67    75    76   0.21250  1.0 3.0
   57    56    67    33   0.15000  1.0 3.0
   57    56    67    71   0.15000  1.0 3.0
   57    56    67    75   0.23400  1.0 3.0
   58    56    67    33   0.15000  1.0 3.0
   58    56    67    71   0.15000  1.0 3.0
   58    56    67    75   0.23400  1.0 3.0
   67    33   -37    40   0.56750  1.0 1.0
   67    33   -37    40  -0.07550 -1.0 2.0
   67    33   -37    40   0.20000  1.0 3.0
   67    33    37    43   0.56750  1.0 1.0
   67    33    37    43  -0.07550 -1.0 2.0
   67    33    37    43   0.20000  1.0 3.0
   67    33    37    47   0.56750  1.0 1.0
   67    33    37    47  -0.07550 -1.0 2.0
   67    33    37    47   0.20000  1.0 3.0
   67    33    38    39   0.00000  1.0 1.0
   67    33    38    51   0.09850  1.0 1.0
   67    33    38    51   0.15250 -1.0 2.0
   67    33    38    51  -0.50650  1.0 3.0
   71    67    75    76  -0.11600  1.0 1.0
   71    67    75    76  -0.09450 -1.0 2.0
   71    67    75    76   0.21250  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    67   0.86500  1.0 1.0
   59    53    56    67  -0.17500 -1.0 2.0
   59    53    56    67   0.20800  1.0 3.0
   43    37    40    41   0.15000  1.0 3.0
   43    37    40    42   0.15000  1.0 3.0
   43    37    40    53   0.56750  1.0 1.0
   43    37    40    53  -0.07550 -1.0 2.0
   43    37    40    53   0.20000  1.0 3.0
   43    37    47    48   0.15000  1.0 3.0
   43    37    47    49   0.15000  1.0 3.0
   43    37    47    50   0.15000  1.0 3.0
   47    37    40    41   0.15000  1.0 3.0
   47    37    40    42   0.15000  1.0 3.0
   47    37    40    53   0.56750  1.0 1.0
   47    37    40    53  -0.07550 -1.0 2.0
   47    37    40    53   0.20000  1.0 3.0
   47    37    43    44   0.15000  1.0 3.0
   47    37    43    45   0.15000  1.0 3.0
   47    37    43    46   0.15000  1.0 3.0
   38    33    37    40   0.34400  1.0 1.0
   38    33    37    40   0.09450 -1.0 2.0
   38    33    37    40   0.11100  1.0 3.0
   38    33    37    43   0.34400  1.0 1.0
   38    33    37    43   0.09450 -1.0 2.0
   38    33    37    43   0.11100  1.0 3.0
   38    33    37    47   0.34400  1.0 1.0
   38    33    37    47   0.09450 -1.0 2.0
   38    33    37    47   0.11100  1.0 3.0
   38    33    67    56   0.34400  1.0 1.0
   38    33    67    56   0.09450 -1.0 2.0
   38    33    67    56   0.11100  1.0 3.0
   38    33    67    71   0.34400  1.0 1.0
   38    33    67    71   0.09450 -1.0 2.0
   38    33    67    71   0.11100  1.0 3.0
   38    33    67    75   1.05650  1.0 1.0
   38    33    67    75   0.15600 -1.0 2.0
   38    33    67    75   0.53150  1.0 3.0
   38    51    55    61   0.28850  1.0 1.0
   38    51    55    61   2.61350 -1.0 2.0
   38    51    55    61   0.78400  1.0 3.0
   38    51    55    63  -0.18600  1.0 3.0
   39    38    51    52   7.00000 -1.0 2.0
   39    38    51    55   7.00000 -1.0 2.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    68   7.00000 -1.0 2.0
   51    55    63    64   0.00000  1.0 1.0
   51    55    63    65   0.00000  1.0 1.0
   51    55    63    66   0.00000  1.0 1.0
   52    51    55    61  -0.18600  1.0 3.0
   52    51    55    63   0.00000  1.0 1.0
   55    61    68    69  -0.04000 -1.0 2.0
   55    61    68    69  -0.29050  1.0 3.0
   55    61    68    70  -0.04000 -1.0 2.0
   55    61    68    70  -0.29050  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    63    66   0.00000  1.0 1.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.00000  1.0 1.0
   63    55    61    62   7.00000 -1.0 2.0
   63    55    61    68   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    38    51  15.00000 -1.0 2.0
   55    52    51    38  15.00000 -1.0 2.0
   51    63    55    61  15.00000 -1.0 2.0
   68    62    61    55  15.00000 -1.0 2.0
   69    61    68    70  10.50000 -1.0 2.0
END
