* LIGAND DATABASE FILE (OPLS2005)
*
001      75    75    137    201     402
    1     0 S   NP   _N1_     1    28.82271    94.07212   -20.73570
    2     1 S   H    _HN1     2     1.02960    95.78183    41.48510
    3     1 S   H    _H1_     3     1.02837    26.56571   158.52968
    4     1 S   H    _H2_     4     1.02777    89.59128   -66.92058
    5     1 S   CT   _CA1     5     1.50137   136.93388   169.88114
    6     5 S   HC   _HA1     6     1.09574   105.20583    53.68731
    7     5 S   CO3  _C1_     7     1.53806   112.40420   -66.43684
    8     7 S   O2Z  _O11     8     1.26349   114.99774   -41.87835
    9     7 S   O2Z  _O12     9     1.26244   114.90477   137.22377
   10     5 S   CT   _CB1    10     1.53103   107.41778   171.57566
   11    10 S   HC   HB11    11     1.09813   109.29083   -50.28705
   12    10 S   HC   HB12    12     1.09826   110.41694    66.26708
   13    10 S   CT   _CG1    13     1.52999   112.71143  -171.47626
   14    13 S   HC   HG11    14     1.09507   110.26218   -62.65959
   15    13 S   HC   HG12    15     1.09636   110.15492    56.38001
   16    13 S   C    _CD1    16     1.51843   112.25805   176.37194
   17    16 S   O    _OE1    17     1.22729   123.13471   -13.60544
   18    16 S   N    _N2_    18     1.38585   111.75030   167.49240
   19    18 S   H    _HN2    19     1.01589   118.95546     0.17359
   20    18 S   CT1  _CA2    20     1.46337   123.54765  -179.75451
   21    20 S   HC   _HA2    21     1.09737   109.34542   -17.42619
   22    20 S   C    _C2_    22     1.53441   107.98441  -132.99393
   23    22 S   O    _O2_    23     1.22997   122.36149  -144.72797
   24    20 S   CT   _CB2    32     1.53545   111.33272   104.98375
   25    24 S   HC   HB21    33     1.09326   109.15737    52.96906
   26    24 S   HC   HB22    34     1.09501   110.53296   171.29622
   27    22 S   N    _N3_    24     1.38546   113.25377    42.56304
   28    27 S   H    _HN3    25     1.01535   118.91221    -0.45671
   29    24 S   S    _SG2    35     1.83003   111.32577   -69.95428
   30    27 S   CT   _CA3    26     1.45453   123.44027   175.11208
   31    30 S   HC   HA31    27     1.09523   109.22220    24.51144
   32    30 S   HC   HA32    28     1.09494   107.11853   141.52359
   33    29 S   CT   _C16    36     1.87642   102.63774   152.79423
   34    30 S   CO3  _C3_    29     1.52934   113.15237   -98.95127
   35    34 S   O2Z  _O31    30     1.26400   115.42855   -43.49432
   36    34 S   O2Z  _O32    31     1.26358   114.96364   137.44485
   37    33 S   CT   _C8_    37     1.57069   109.05031   -72.31966
   38    37 S   HC   _H3_    38     1.09642   107.51620    53.27258
   39    33 S   CT   _C17    67     1.54213   108.55818    49.58389
   40    39 S   HC   _H20    68     1.09617   112.25225    48.20252
   41    39 S   HC   _H21    69     1.09616   110.91346   167.43342
   42    39 S   HC   _H22    70     1.09505   112.07321   -73.32744
   43    33 S   CT   _C18    71     1.55185   105.45907   167.04300
   44    43 S   HC   _H23    72     1.09575   112.02628    55.40012
   45    43 S   HC   _H24    73     1.09302   111.01346   175.65576
   46    37 S   CO4  _C9_    39     1.54643   111.31283   168.29618
   47    46 S   O    _O33    40     1.23312   121.40670    60.44061
   48    37 S   CT   _C7_    56     1.56072   114.43249   -66.74886
   49    48 S   HC   _H8_    57     1.09454   111.23970    39.64538
   50    48 S   HC   _H9_    58     1.09340   109.90343   -78.61983
   51    43 S   OH   _O34    74     1.42647   111.61024   -65.82186
   52    51 S   HO   _H25    75     0.97240   107.02732   179.42088
   53    46 S   CT   _C10    41     1.53319   118.27794  -121.67696
   54    53 S   HC   _H10    42     1.09555   108.83927   139.52545
   55    53 S   HC   _H11    43     1.09513   109.56456    23.78697
   56    53 S   CM   _C11    44     1.51069   108.36634   -99.41377
   57    56 S   CM   _C12    45     1.34881   119.53600    99.82947
   58    57 S   HC   _H12    46     1.08971   118.42669     8.09951
   59    56 S   CT   _C15    63     1.50462   115.66793   -74.83142
   60    59 S   HC   _H17    64     1.09555   109.98716   -47.57410
   61    59 S   HC   _H18    65     1.09298   112.77919  -165.91876
   62    59 S   HC   _H19    66     1.09341   111.07142    72.27321
   63    57 S   CT   _C13    47     1.51132   125.96487  -156.96177
   64    63 S   HC   _H13    48     1.09582   109.29382  -136.21985
   65    63 S   HC   _H14    49     1.09367   112.17710   -18.32734
   66    63 S   CT   _C14    50     1.55209   110.37825   103.19090
   67    66 S   HC   _H15    51     1.09649   109.96703  -169.24419
   68    66 S   HC   _H16    52     1.09813   108.65736    75.47173
   69    66 S   CM   _C5_    53     1.52526   112.05330   -46.22677
   70    69 S   CM   _C6_    54     1.34836   118.23487    89.80000
   71    70 S   HC   _H7_    55     1.09046   117.18939     8.59843
   72    69 S   CT   _C4_    59     1.49977   115.71617   -84.04567
   73    72 S   HC   _H4_    60     1.09528   109.70079   -61.79770
   74    72 S   HC   _H5_    61     1.09213   113.24309   178.78003
   75    72 S   HC   _H6_    62     1.09368   110.77800    57.46908
  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  13   5   4   3
  18   2   1   1  21   9   9   3   2   1   6   3   2  11   5   8
   4   3   1   1  10   4   3  10  12   5   4   2   1   1   8   5
   4   9   4   3   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    48    39    40    41    42    43    44    45    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    53    70    48    49    50    39    40    41    42    43    44    45    51    52  
   35    36  
   36  
    0  
   38    46    47    53    54    55    56    69    70    71    48    49    50    39    40    41    42    43    44    45    51  
   46    47    53    70    48    49    50    39    43  
   40    41    42    43    44    45    51    46    48  
   41    42    43  
   42    43  
   43  
   44    45    51    52    46    48  
   45    51    52  
   51    52  
   47    53    54    55    56    57    70    48    49    50    59  
   53    54    55    56    48  
   49    50    72    53    66    69    70    71  
   50    69    70    71  
   69    70    71  
   52  
    0  
   54    55    56    57    58    63    59    60    61    62  
   55    56    57    59  
   56    57    59  
   57    58    63    64    65    66    59    60    61    62  
   58    63    64    65    66    67    68    69    59    60    61    62  
   63    64    65    66    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    72  
   69    70    72  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72  
   73    74    75  
   74    75  
   75  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   317.000  1.522
   37    48   268.000  1.529
   46    47   570.000  1.229
   46    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.510
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   549.000  1.340
   69    72   317.000  1.510
   70    71   340.000  1.080
   70    48   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   320.000  1.410
   51    52   553.000  0.945
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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    37    48    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    51    50.00000  109.50000
   37    46    47    80.00000  120.40000
   37    46    53    70.00000  116.00000
   37    48    70    70.00000  112.02700
   37    48    49    37.50000  110.70000
   37    48    50    37.50000  110.70000
   46    37    38    35.00000  109.50000
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    70.00000  109.06800
   53    46    47    80.00000  120.40000
   53    56    57    70.00000  124.00000
   53    56    59    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58    35.00000  120.00000
   56    57    63    70.00000  124.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    70.00000  112.02700
   63    57    58    35.00000  117.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    70.00000  112.02700
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    70.00000  124.00000
   66    69    72    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    48    70.00000  124.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   70    48    49    35.00000  109.50000
   70    48    50    35.00000  109.50000
   48    37    38    37.50000  110.70000
   48    37    46    63.00000  111.10000
   48    70    71    35.00000  117.00000
   50    48    49    33.00000  107.80000
   72    69    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    45    35.00000  109.50000
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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    37    48   0.44750  1.0 1.0
   29    33    37    48  -0.17800 -1.0 2.0
   29    33    37    48   0.20200  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   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    51   0.56750  1.0 1.0
   29    33    43    51  -0.07550 -1.0 2.0
   29    33    43    51   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    53   0.60050  1.0 1.0
   33    37    46    53   0.05600 -1.0 2.0
   33    37    46    53   0.26150  1.0 3.0
   33    37    48    70   0.34400  1.0 1.0
   33    37    48    70   0.09450 -1.0 2.0
   33    37    48    70   0.11100  1.0 3.0
   33    37    48    49   0.15000  1.0 3.0
   33    37    48    50   0.15000  1.0 3.0
   33    43    51    52  -0.11600  1.0 1.0
   33    43    51    52  -0.09450 -1.0 2.0
   33    43    51    52   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    51   0.86500  1.0 1.0
   37    33    43    51  -0.17500 -1.0 2.0
   37    33    43    51   0.20800  1.0 3.0
   37    46    53    54   0.00000  1.0 1.0
   37    46    53    55   0.00000  1.0 1.0
   37    46    53    56   0.65300  1.0 1.0
   37    46    53    56  -0.03850 -1.0 2.0
   37    46    53    56   0.33900  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    53   0.00000  1.0 1.0
   38    37    48    70   0.15000  1.0 3.0
   38    37    48    49   0.15000  1.0 3.0
   38    37    48    50   0.15000  1.0 3.0
   46    37    48    70  -0.98800  1.0 1.0
   46    37    48    70   0.48800 -1.0 2.0
   46    37    48    70   0.76800  1.0 3.0
   46    37    48    49  -0.11250  1.0 3.0
   46    37    48    50  -0.11250  1.0 3.0
   46    53    56    57  -0.51250  1.0 1.0
   46    53    56    57  -0.88800 -1.0 2.0
   46    53    56    57   0.08850  1.0 3.0
   46    53    56    59   0.17250  1.0 1.0
   46    53    56    59  -0.04100 -1.0 2.0
   46    53    56    59  -0.33850  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    55   0.00000  1.0 1.0
   47    46    53    56   0.30150 -1.0 2.0
   53    56    57    58   7.00000 -1.0 2.0
   53    56    57    63   7.00000 -1.0 2.0
   53    56    59    60   0.34800  1.0 3.0
   53    56    59    61   0.34800  1.0 3.0
   53    56    59    62   0.34800  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    59   0.34800  1.0 3.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    59   0.34800  1.0 3.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    65   0.00000  1.0 1.0
   56    57    63    66   0.09850  1.0 1.0
   56    57    63    66   0.15250 -1.0 2.0
   56    57    63    66  -0.50650  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    62   0.00000  1.0 1.0
   57    63    66    67   0.15000  1.0 3.0
   57    63    66    68   0.15000  1.0 3.0
   57    63    66    69   0.31000  1.0 1.0
   57    63    66    69   0.14700 -1.0 2.0
   57    63    66    69   0.07550  1.0 3.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    65   0.33100  1.0 3.0
   58    57    63    66   0.00000  1.0 1.0
   63    66    69    70   0.09850  1.0 1.0
   63    66    69    70   0.15250 -1.0 2.0
   63    66    69    70  -0.50650  1.0 3.0
   63    66    69    72   0.46850  1.0 1.0
   63    66    69    72   0.08550 -1.0 2.0
   63    66    69    72   0.09800  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   7.00000 -1.0 2.0
   66    69    70    48   7.00000 -1.0 2.0
   66    69    72    73   0.34800  1.0 3.0
   66    69    72    74   0.34800  1.0 3.0
   66    69    72    75   0.34800  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    72   0.34800  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    72   0.34800  1.0 3.0
   69    70    48    37   0.09850  1.0 1.0
   69    70    48    37   0.15250 -1.0 2.0
   69    70    48    37  -0.50650  1.0 3.0
   69    70    48    49   0.00000  1.0 1.0
   69    70    48    50   0.00000  1.0 1.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    75   0.00000  1.0 1.0
   71    70    48    37   0.00000  1.0 1.0
   71    70    48    49   0.33100  1.0 3.0
   71    70    48    50   0.33100  1.0 3.0
   48    37    46    47   0.30150 -1.0 2.0
   48    37    46    53   0.60050  1.0 1.0
   48    37    46    53   0.05600 -1.0 2.0
   48    37    46    53   0.26150  1.0 3.0
   72    69    70    71   7.00000 -1.0 2.0
   72    69    70    48   7.00000 -1.0 2.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    63   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    37    48   0.56750  1.0 1.0
   39    33    37    48  -0.07550 -1.0 2.0
   39    33    37    48   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    51   0.86500  1.0 1.0
   39    33    43    51  -0.17500 -1.0 2.0
   39    33    43    51   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    37    48   0.56750  1.0 1.0
   43    33    37    48  -0.07550 -1.0 2.0
   43    33    37    48   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   45    43    51    52   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    53    46    47  10.50000 -1.0 2.0
   53    59    56    57   1.10000 -1.0 2.0
   63    58    57    56   1.10000 -1.0 2.0
   66    72    69    70   1.10000 -1.0 2.0
   48    71    70    69   1.10000 -1.0 2.0
END
