* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    135    203     397
    1     0 S   NP   _N1_     1    28.93242    95.79330   -24.87140
    2     1 S   H    _HN1     2     1.02826    37.11169  -171.83189
    3     1 S   H    _H1_     3     1.02784   112.19855   -81.19472
    4     1 S   H    _H2_     4     1.02949    70.87963    21.45285
    5     1 S   CT   _CA1     5     1.50103   132.12935   122.01961
    6     5 S   HC   _HA1     6     1.09579   105.18557    95.32798
    7     5 S   CO3  _C1_     7     1.53795   112.52256   -24.82030
    8     7 S   O2Z  _O11     8     1.26367   114.99119   -41.81250
    9     7 S   O2Z  _O12     9     1.26245   114.94794   137.31661
   10     5 S   CT   _CB1    10     1.53094   107.41196  -146.75226
   11    10 S   HC   HB11    11     1.09827   109.34539   -50.50159
   12    10 S   HC   HB12    12     1.09809   110.48082    66.14543
   13    10 S   CT   _CG1    13     1.52924   112.50443  -171.51140
   14    13 S   HC   HG11    14     1.09575   110.45358   -66.89145
   15    13 S   HC   HG12    15     1.09669   109.76666    52.34237
   16    13 S   C    _CD1    16     1.51741   112.44919   172.91684
   17    16 S   O    _OE1    17     1.22722   123.28905     7.82388
   18    16 S   N    _N2_    18     1.38689   111.62819  -172.36010
   19    18 S   H    _HN2    19     1.01569   118.93659     1.95535
   20    18 S   CT1  _CA2    20     1.46182   123.38953   177.75389
   21    20 S   HC   _HA2    21     1.09731   109.35423     3.04902
   22    20 S   C    _C2_    22     1.53541   108.60105  -112.53695
   23    22 S   O    _O2_    23     1.23060   122.25816  -147.73199
   24    20 S   CT   _CB2    32     1.53332   111.65675   125.06125
   25    24 S   HC   HB21    33     1.09594   110.08114    57.44046
   26    24 S   HC   HB22    34     1.09462   109.95196   176.49591
   27    22 S   N    _N3_    24     1.38316   113.72210    39.60058
   28    27 S   H    _HN3    25     1.01584   119.59362    -3.17132
   29    24 S   S    _SG2    35     1.82718   111.55315   -63.35104
   30    27 S   CT   _CA3    26     1.45286   123.22376   177.25092
   31    30 S   HC   HA31    27     1.09548   107.50304   -64.85371
   32    30 S   HC   HA32    28     1.09557   107.99637    51.59054
   33    29 S   CT   _C13    36     1.84166    99.64189   175.99269
   34    33 S   HC   _H3_    37     1.09594   106.36269   -44.36733
   35    30 S   CO3  _C3_    29     1.52962   114.07061   173.59170
   36    35 S   O2Z  _O31    30     1.26376   116.06735    -0.65551
   37    35 S   O2Z  _O32    31     1.26426   114.41634   179.40291
   38    33 S   CA   _C14    38     1.51812   111.40791    74.41258
   39    33 S   CT   _C12    51     1.53723   110.15278  -161.17473
   40    39 S   HC   _H17    52     1.09749   112.02569   -54.24379
   41    39 S   HC   _H18    53     1.09779   110.60364  -171.97415
   42    38 S   CA   _C15    39     1.40561   121.76584    66.85620
   43    42 S   HA   _H19    40     1.08752   120.51023    -0.25564
   44    39 S   CO4  _C11    54     1.52072   112.84166    68.16096
   45    44 S   O    _O34    55     1.23081   120.59676  -105.61696
   46    42 S   CA   _C16    41     1.39693   120.87357  -179.95577
   47    46 S   HA   _H20    42     1.08624   119.33057   179.92087
   48    44 S   CT   _C10    56     1.51510   116.91175    72.00245
   49    48 S   HC   _H15    57     1.09406   107.20446   -77.40249
   50    48 S   HC   _H16    58     1.09480   109.07675    40.33923
   51    46 S   CA   _C17    43     1.39245   119.72140     0.02798
   52    48 S   CO4  _C9_    59     1.51416   115.66791   160.90865
   53    52 S   O    _O33    60     1.23086   122.47452   -27.64066
   54    51 S   CA   _C18    44     1.39170   120.12684     0.04423
   55    51 S   OH   _O36    49     1.36699   120.49333   179.98022
   56    55 S   HO   _H23    50     0.97204   108.74892    -0.10279
   57    52 S   CT   _C8_    61     1.51620   116.88024   154.16820
   58    57 S   HC   _H13    62     1.09659   107.00267   134.63361
   59    57 S   HC   _H14    63     1.09534   109.89661    19.44437
   60    38 S   CA   _C19    45     1.40490   119.62541  -113.07238
   61    60 S   HA   _H21    46     1.08733   119.87402     0.06853
   62    54 S   OH   _O35    47     1.36752   119.26186   179.89913
   63    62 S   HO   _H22    48     0.97195   108.83221  -179.20181
   64    57 S   CT   _C7_    64     1.52567   111.98632  -105.02304
   65    64 S   HC   _H11    65     1.09687   108.32013  -165.94262
   66    64 S   HC   _H12    66     1.09681   110.13069   -49.20091
   67    64 S   CT   _C6_    67     1.53099   112.70196    73.44328
   68    67 S   HC   _H9_    68     1.09678   109.54733    54.95934
   69    67 S   HC   _H10    69     1.09617   109.96287   -62.67774
   70    67 S   CT   _C5_    70     1.52887   111.35154   176.26839
   71    70 S   HC   _H7_    71     1.09614   110.01273   -56.93489
   72    70 S   HC   _H8_    72     1.09617   109.76586    60.87156
   73    70 S   CT   _C4_    73     1.52015   111.36593  -177.99904
   74    73 S   HC   _H4_    74     1.09341   110.91320   -58.61090
   75    73 S   HC   _H5_    75     1.09467   110.98435    61.69712
   76    73 S   HC   _H6_    76     1.09437   110.35069  -178.48019
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  13  10   4   3   8   4   7   4   7   3   8
   4   3   7   8   4   6   3   1   9   5   4   3   1   1   1   9
   5   4   9   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    60    61    39    40    41    44    45    48  
   38    42    60    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    51    54    60    61    62    39    40    41    44  
   40    41    44    45    48    49    50    52    42    60  
   41    44    45    48  
   44    45    48  
   43    46    47    51    54    60    61    55  
   46    47    51    60  
   45    48    49    50    52    53    57  
   48    49    50    52  
   47    51    54    60    62    55    56  
   51    54    55  
   49    50    52    53    57    58    59    64  
   50    52    53    57  
   52    53    57  
   54    60    61    62    63    55    56  
   53    57    58    59    64    65    66    67  
   57    58    59    64  
   60    61    62    63    55    56  
   56    60    62  
    0  
   58    59    64    65    66    67    68    69    70  
   59    64    65    66    67  
   64    65    66    67  
   61    62    63  
   62  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    54   469.000  1.400
   51    55   450.000  1.364
   54    60   469.000  1.400
   54    62   450.000  1.364
   60    61   367.000  1.080
   62    63   553.000  0.945
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    60    54    63.00000  120.00000
   38    60    61    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    51    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    51    54    63.00000  120.00000
   46    51    55    70.00000  120.00000
   51    46    47    35.00000  120.00000
   51    54    60    63.00000  120.00000
   51    54    62    70.00000  120.00000
   51    55    56    35.00000  113.00000
   54    60    61    35.00000  120.00000
   54    62    63    35.00000  113.00000
   60    38    42    63.00000  120.00000
   62    54    60    70.00000  120.00000
   55    51    54    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    52    53    80.00000  120.40000
   48    52    57    70.00000  116.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    64    63.00000  111.10000
   57    52    53    80.00000  120.40000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    60    54   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.60050  1.0 1.0
   33    39    44    48   0.05600 -1.0 2.0
   33    39    44    48   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    51   3.62500 -1.0 2.0
   42    38    60    54   3.62500 -1.0 2.0
   42    38    60    61   3.62500 -1.0 2.0
   42    46   -51    54   3.62500 -1.0 2.0
   42    46    51    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    51    54    60   3.62500 -1.0 2.0
   46    51    54    62   3.62500 -1.0 2.0
   46    51    55    56   0.84100 -1.0 2.0
   47    46    51    54   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   51    54   -60    38   3.62500 -1.0 2.0
   51    54    60    61   3.62500 -1.0 2.0
   51    54    62    63   0.84100 -1.0 2.0
   54    51    55    56   0.84100 -1.0 2.0
   60    38    42    43   3.62500 -1.0 2.0
   60    38   -42    46   3.62500 -1.0 2.0
   60    54    62    63   0.84100 -1.0 2.0
   62    54    60    38   3.62500 -1.0 2.0
   62    54    60    61   3.62500 -1.0 2.0
   55    51    54    60   3.62500 -1.0 2.0
   55    51    54    62   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    48    52   0.65300  1.0 1.0
   39    44    48    52  -0.03850 -1.0 2.0
   39    44    48    52   0.33900  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    57   0.65300  1.0 1.0
   44    48    52    57  -0.03850 -1.0 2.0
   44    48    52    57   0.33900  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.00000  1.0 1.0
   48    52    57    64   0.60050  1.0 1.0
   48    52    57    64   0.05600 -1.0 2.0
   48    52    57    64   0.26150  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    57   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    57   0.00000  1.0 1.0
   52    57    64    65  -0.11250  1.0 3.0
   52    57    64    66  -0.11250  1.0 3.0
   52    57    64    67  -0.95700  1.0 1.0
   52    57    64    67  -0.18200 -1.0 2.0
   52    57    64    67   0.29450  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    64   0.30150 -1.0 2.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    70   0.56750  1.0 1.0
   57    64    67    70  -0.07550 -1.0 2.0
   57    64    67    70   0.20000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   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
   36    30    35    37  10.50000 -1.0 2.0
   42    60    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   51    47    46    42   1.10000 -1.0 2.0
   54    55    51    46   4.00000 -1.0 2.0
   60    62    54    51   4.00000 -1.0 2.0
   54    61    60    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   48    57    52    53  10.50000 -1.0 2.0
END
