* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    219     419
    1     0 S   NP   _N1_     1    28.69240    96.05804   -23.70406
    2     1 S   H    _HN1     2     1.02828    34.96099   164.12588
    3     1 S   H    _H1_     3     1.02787   106.17568   -97.63140
    4     1 S   H    _H2_     4     1.02949    74.86340     7.52400
    5     1 S   CT   _CA1     5     1.50112   136.39075   111.39233
    6     5 S   HC   _HA1     6     1.09572   105.19166    88.43318
    7     5 S   CO3  _C1_     7     1.53788   112.48088   -31.80539
    8     7 S   O2Z  _O11     8     1.26373   115.00758   -42.23647
    9     7 S   O2Z  _O12     9     1.26241   114.94896   136.90272
   10     5 S   CT   _CB1    10     1.53077   107.41999  -153.57404
   11    10 S   HC   HB11    11     1.09834   109.37534   -49.60934
   12    10 S   HC   HB12    12     1.09812   110.44741    67.00316
   13    10 S   CT   _CG1    13     1.52989   112.60330  -170.57790
   14    13 S   HC   HG11    14     1.09580   110.64550   -65.79822
   15    13 S   HC   HG12    15     1.09670   109.77201    53.43375
   16    13 S   C    _CD1    16     1.51797   112.21170   173.90133
   17    16 S   O    _OE1    17     1.22731   123.28206     7.57707
   18    16 S   N    _N2_    18     1.38646   111.67523  -172.48446
   19    18 S   H    _HN2    19     1.01572   118.94574     1.74024
   20    18 S   CT1  _CA2    20     1.46226   123.42795   177.54712
   21    20 S   HC   _HA2    21     1.09739   109.37127     4.51558
   22    20 S   C    _C2_    22     1.53596   108.59472  -110.97947
   23    22 S   O    _O2_    23     1.23060   122.31908  -147.51614
   24    20 S   CT   _CB2    32     1.53426   111.59349   126.53234
   25    24 S   HC   HB21    33     1.09481   109.59427    56.06506
   26    24 S   HC   HB22    34     1.09350   109.81533   174.85989
   27    22 S   N    _N3_    24     1.38337   113.73376    39.90611
   28    27 S   H    _HN3    25     1.01571   119.60985    -3.17064
   29    24 S   S    _SG2    35     1.82943   111.19932   -64.47074
   30    27 S   CT   _CA3    26     1.45288   123.22851   177.20124
   31    30 S   HC   HA31    27     1.09548   107.49738   -64.98592
   32    30 S   HC   HA32    28     1.09556   108.00396    51.46094
   33    29 S   CT   _C15    36     1.86864   101.32331  -169.40790
   34    33 S   HC   _H6_    37     1.09696   103.58428  -176.50039
   35    30 S   CO3  _C3_    29     1.52965   114.06972   173.46826
   36    35 S   O2Z  _O31    30     1.26377   116.07192    -0.66617
   37    35 S   O2Z  _O32    31     1.26427   114.41433   179.39672
   38    33 S   CT   _C8_    38     1.57237   110.84562   -61.88292
   39    38 S   HC   _H4_    39     1.09600   106.71871    61.42350
   40    33 S   CT   _C16    66     1.55567   111.79974    66.81817
   41    40 S   HC   _H7_    67     1.09710   109.43049   -83.32590
   42    38 S   CM   _C9_    40     1.50654   114.66622   179.33854
   43    38 S   CT   _C7_    55     1.56112   112.95064   -54.18584
   44    43 S   HC   _H13    56     1.09764   109.15116   113.63730
   45    43 S   HC   _H14    57     1.09607   110.60821    -2.34418
   46    40 S   CO3  _C18    68     1.54586   113.93547   154.85915
   47    46 S   O2Z  _O34    69     1.26333   116.10876   -44.43158
   48    46 S   O2Z  _O33    70     1.26528   114.62182   136.82092
   49    40 S   CT   _C17    71     1.53765   115.70155    39.04580
   50    49 S   HC   _H22    72     1.09619   111.57690    48.67954
   51    49 S   HC   _H23    73     1.09700   111.79748   169.02338
   52    49 S   HC   _H24    74     1.09446   111.43162   -72.39351
   53    42 S   CM   _C10    41     1.34532   128.50154  -104.59210
   54    53 S   CT   _C11    42     1.49892   111.12347  -174.48431
   55    54 S   HC   _H15    43     1.09417   112.52379   137.50409
   56    54 S   HC   _H16    44     1.09512   110.54019  -100.07476
   57    53 S   CT   _C14    62     1.48842   129.51655     5.47217
   58    57 S   HC   _H19    63     1.09476   110.09775   123.49090
   59    57 S   HC   _H20    64     1.09269   112.83893     3.52531
   60    57 S   HC   _H21    65     1.09452   110.20593  -117.06671
   61    54 S   CT   _C12    45     1.52553   101.85668    18.98692
   62    61 S   HC   _H17    46     1.09782   108.91874    89.48685
   63    61 S   HC   _H18    47     1.09495   111.75717  -151.77091
   64    42 S   CT   _C13    48     1.51217   120.22726    81.46706
   65    64 S   HC   _H5_    49     1.09681   109.39324   -89.35456
   66    64 S   CT   _C5_    50     1.53970   112.88325    31.33580
   67    66 S   HC   _H3_    51     1.10009   106.90184   -91.30008
   68    66 S   CT   _C6_    52     1.53330   110.53468    24.75142
   69    68 S   HC   _H11    53     1.09672   110.46079   176.96294
   70    68 S   HC   _H12    54     1.09726   110.63257    59.11438
   71    66 S   CT   _C4_    58     1.52726   114.02231   151.55918
   72    71 S   HC   _H8_    59     1.09429   112.05395   -69.64951
   73    71 S   HC   _H9_    60     1.09555   110.33637   170.86688
   74    71 S   HC   _H10    61     1.09490   110.84869    51.73015
  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  10   5   4   3
  19   8   2   1   1  19   8  10   7  20  10   5   4   6   2   1
   3   2   1   1  13  12   6   5   5   2   1   1   8   4   3  10
   4   8   7   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    43    40    41    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    64    68    43    44    45    40    41    46    47    48    49    50    51    52  
   38    39    42    43    40    41    46    49  
   36    37  
   37  
    0  
   39    42    53    54    61    64    65    66    68    69    70    43    44    45    57    40    41    46    49  
   42    53    64    68    43    44    45    40  
   41    46    47    48    49    50    51    52    42    43  
   46    47    48    49    50    51    52  
   53    54    55    56    61    62    63    64    65    66    67    68    43    44    45    71    57    58    59    60  
   44    45    71    53    64    66    67    68    69    70  
   45    66    68    69    70  
   66    68    69    70  
   47    48    49    50    51    52  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    61    62    63    64    65    66    57    58    59    60  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61    64  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    71  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    71  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   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
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    43   268.000  1.529
   42    53   549.000  1.340
   42    64   317.000  1.510
   53    54   317.000  1.510
   53    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   40    41   340.000  1.090
   40    46   317.000  1.522
   40    49   268.000  1.529
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    43    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    70.00000  109.69300
   33    40    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    53    70.00000  124.00000
   38    42    64    65.00000  117.92700
   38    43    68    58.35000  112.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   42    38    39    35.00000  109.50000
   42    53    54    70.00000  124.00000
   42    53    57    70.00000  124.00000
   42    64    61    70.00000  112.02700
   42    64    65    35.00000  109.50000
   42    64    66    70.00000  112.02700
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    42    53    70.00000  124.00000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    71    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    43    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   68    66    67    37.50000  110.70000
   68    43    44    37.50000  110.70000
   68    43    45    37.50000  110.70000
   70    68    69    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    42    70.00000  112.02700
   43    68    69    37.50000  110.70000
   43    68    70    37.50000  110.70000
   45    43    44    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    46    47    70.00000  117.00000
   40    46    48    70.00000  117.00000
   40    49    50    37.50000  110.70000
   40    49    51    37.50000  110.70000
   40    49    52    37.50000  110.70000
   46    40    41    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    40    41    37.50000  110.70000
   49    40    46    70.00000  109.69300
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    40    49   0.44750  1.0 1.0
   29    33    40    49  -0.17800 -1.0 2.0
   29    33    40    49   0.20200  1.0 3.0
   33    38    42    53   0.09850  1.0 1.0
   33    38    42    53   0.15250 -1.0 2.0
   33    38    42    53  -0.50650  1.0 3.0
   33    38    42    64   0.46850  1.0 1.0
   33    38    42    64   0.08550 -1.0 2.0
   33    38    42    64   0.09800  1.0 3.0
   33    38    43    68   0.56750  1.0 1.0
   33    38    43    68  -0.07550 -1.0 2.0
   33    38    43    68   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    40    46    47   0.41150 -1.0 2.0
   33    40    46    48   0.41150 -1.0 2.0
   33    40    49    50   0.15000  1.0 3.0
   33    40    49    51   0.15000  1.0 3.0
   33    40    49    52   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    46  -0.11250  1.0 3.0
   34    33    40    49   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    46  -1.63150  1.0 1.0
   38    33    40    46  -0.43550 -1.0 2.0
   38    33    40    46   0.24500  1.0 3.0
   38    33    40    49   0.56750  1.0 1.0
   38    33    40    49  -0.07550 -1.0 2.0
   38    33    40    49   0.20000  1.0 3.0
   38    42    53    54   7.00000 -1.0 2.0
   38    42    53    57   7.00000 -1.0 2.0
   38    42    64    61   0.46850  1.0 1.0
   38    42    64    61   0.08550 -1.0 2.0
   38    42    64    61   0.09800  1.0 3.0
   38    42    64    65   0.34800  1.0 3.0
   38    42    64    66   0.46850  1.0 1.0
   38    42    64    66   0.08550 -1.0 2.0
   38    42    64    66   0.09800  1.0 3.0
   39    38    42    53   0.00000  1.0 1.0
   39    38    42    64   0.34800  1.0 3.0
   39    38    43    68   0.15000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   42    38    43    68   0.34400  1.0 1.0
   42    38    43    68   0.09450 -1.0 2.0
   42    38    43    68   0.11100  1.0 3.0
   42    38    43    44   0.15000  1.0 3.0
   42    38    43    45   0.15000  1.0 3.0
   42    53    54    55   0.00000  1.0 1.0
   42    53    54    56   0.00000  1.0 1.0
   42    53   -54    61   0.09850  1.0 1.0
   42    53   -54    61   0.15250 -1.0 2.0
   42    53   -54    61  -0.50650  1.0 3.0
   42    53    57    58   0.00000  1.0 1.0
   42    53    57    59   0.00000  1.0 1.0
   42    53    57    60   0.00000  1.0 1.0
   42    64    66    67   0.15000  1.0 3.0
   42    64   -66    68   0.34400  1.0 1.0
   42    64   -66    68   0.09450 -1.0 2.0
   42    64   -66    68   0.11100  1.0 3.0
   42    64    66    71   0.34400  1.0 1.0
   42    64    66    71   0.09450 -1.0 2.0
   42    64    66    71   0.11100  1.0 3.0
   53    42   -64    61   0.09850  1.0 1.0
   53    42   -64    61   0.15250 -1.0 2.0
   53    42   -64    61  -0.50650  1.0 3.0
   53    42    64    65   0.00000  1.0 1.0
   53    42    64    66   0.09850  1.0 1.0
   53    42    64    66   0.15250 -1.0 2.0
   53    42    64    66  -0.50650  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.34400  1.0 1.0
   53    54   -61    64   0.09450 -1.0 2.0
   53    54   -61    64   0.11100  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61   -64    42   0.34400  1.0 1.0
   54    61   -64    42   0.09450 -1.0 2.0
   54    61   -64    42   0.11100  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    71   0.56750  1.0 1.0
   61    64    66    71  -0.07550 -1.0 2.0
   61    64    66    71   0.20000  1.0 3.0
   62    61    64    42   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   63    61    64    42   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   64    42   -53    54   7.00000 -1.0 2.0
   64    42    53    57   7.00000 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66    68    43   0.56750  1.0 1.0
   64    66    68    43  -0.07550 -1.0 2.0
   64    66    68    43   0.20000  1.0 3.0
   64    66    71    72   0.15000  1.0 3.0
   64    66    71    73   0.15000  1.0 3.0
   64    66    71    74   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   66    68   -43    38   0.56750  1.0 1.0
   66    68   -43    38  -0.07550 -1.0 2.0
   66    68   -43    38   0.20000  1.0 3.0
   66    68    43    44   0.15000  1.0 3.0
   66    68    43    45   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    43   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   69    68    43    38   0.15000  1.0 3.0
   69    68    43    44   0.15000  1.0 3.0
   69    68    43    45   0.15000  1.0 3.0
   70    68    43    38   0.15000  1.0 3.0
   70    68    43    44   0.15000  1.0 3.0
   70    68    43    45   0.15000  1.0 3.0
   43    38    42    53   0.09850  1.0 1.0
   43    38    42    53   0.15250 -1.0 2.0
   43    38    42    53  -0.50650  1.0 3.0
   43    38   -42    64   0.46850  1.0 1.0
   43    38   -42    64   0.08550 -1.0 2.0
   43    38   -42    64   0.09800  1.0 3.0
   71    66    68    69   0.15000  1.0 3.0
   71    66    68    70   0.15000  1.0 3.0
   71    66    68    43   0.56750  1.0 1.0
   71    66    68    43  -0.07550 -1.0 2.0
   71    66    68    43   0.20000  1.0 3.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    51   0.15000  1.0 3.0
   41    40    49    52   0.15000  1.0 3.0
   46    40    49    50  -0.11250  1.0 3.0
   46    40    49    51  -0.11250  1.0 3.0
   46    40    49    52  -0.11250  1.0 3.0
   49    40    46    47   0.41150 -1.0 2.0
   49    40    46    48   0.41150 -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
   36    30    35    37  10.50000 -1.0 2.0
   38    64    42    53   1.10000 -1.0 2.0
   54    57    53    42   1.10000 -1.0 2.0
   47    40    46    48  10.50000 -1.0 2.0
END
