* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    144    230     423
    1     0 S   NP   _N1_     1    29.56215    97.63239   -15.67234
    2     1 S   H    _HN1     2     1.02833    63.42004   136.05755
    3     1 S   H    _H1_     3     1.02775    66.27914   -97.38141
    4     1 S   H    _H2_     4     1.02955    77.30035    19.49515
    5     1 S   CT   _CA1     5     1.50196   171.89766  -179.12151
    6     5 S   HC   _HA1     6     1.09572   105.10840    16.78552
    7     5 S   CO3  _C1_     7     1.53744   112.54074  -103.14453
    8     7 S   O2Z  _O11     8     1.26381   115.04740   -36.43615
    9     7 S   O2Z  _O12     9     1.26239   115.04400   142.80839
   10     5 S   CT   _CB1    10     1.53136   107.37068   134.71008
   11    10 S   HC   HB11    11     1.09825   109.17710   -48.74019
   12    10 S   HC   HB12    12     1.09818   110.41750    67.78572
   13    10 S   CT   _CG1    13     1.53045   112.89285  -169.82610
   14    13 S   HC   HG11    14     1.09612   110.47050   -68.16064
   15    13 S   HC   HG12    15     1.09658   109.90667    51.07132
   16    13 S   C    _CD1    16     1.51942   112.33309   171.34170
   17    16 S   O    _OE1    17     1.22740   123.29301     2.97078
   18    16 S   N    _N2_    18     1.38577   111.67362  -177.24139
   19    18 S   H    _HN2    19     1.01567   118.75573     7.00407
   20    18 S   CT1  _CA2    20     1.45670   123.14166   178.40174
   21    20 S   HC   _HA2    21     1.09706   109.06364    19.40424
   22    20 S   C    _C2_    22     1.52946   106.43751   -97.33949
   23    22 S   O    _O2_    23     1.22972   122.84056   -29.12769
   24    20 S   CT   _CB2    32     1.53372   112.79138   143.02650
   25    24 S   HC   HB21    33     1.09543   111.54419    50.27427
   26    24 S   HC   HB22    34     1.09582   109.68297   167.97918
   27    22 S   N    _N3_    24     1.38605   112.48880   153.74220
   28    27 S   H    _HN3    25     1.01500   119.72956     1.15860
   29    24 S   S    _SG2    35     1.82945   112.65697   -74.19259
   30    27 S   CT   _CA3    26     1.45443   122.74667   175.75167
   31    30 S   HC   HA31    27     1.09547   108.82552    32.31223
   32    30 S   HC   HA32    28     1.09478   107.19315   149.39064
   33    29 S   CT   _C18    36     1.84409   100.54825    89.35597
   34    33 S   HC   _H3_    37     1.09235   108.60619   -31.15725
   35    30 S   CO3  _C3_    29     1.53054   113.70787   -90.64021
   36    35 S   O2Z  _O31    30     1.26365   115.84828   -31.12071
   37    35 S   O2Z  _O32    31     1.26420   114.66663   149.75933
   38    33 S   CT   _C9_    38     1.54028   110.81829  -150.95941
   39    38 S   HC   _H27    39     1.09910   110.63397   -54.54307
   40    33 S   CT   _C16    71     1.53226   106.86463    86.73430
   41    40 S   HC   _H33    72     1.09624   111.53151    64.25485
   42    40 S   HC   _H34    73     1.09558   111.73980   -56.95293
   43    40 S   HC   _H35    74     1.09406   111.53265  -175.89005
   44    38 S   CO4  _C6_    40     1.51834   115.41845    65.25074
   45    44 S   O    _O16    41     1.22076   126.76653   -37.68329
   46    44 S   OS   _O18    42     1.36624   110.24785   146.86186
   47    46 S   CT   _C15    43     1.41960   110.28980   -16.16377
   48    47 S   CM   _C5_    44     1.48962   112.04439   132.72851
   49    48 S   HC   _H25    45     1.08067   124.07508   -67.04264
   50    38 S   CT   _C12    60     1.52480   114.56419  -177.33913
   51    50 S   HC   _H30    61     1.09668   111.23183    91.80223
   52    48 S   CM   _C4_    46     1.33762   111.69382   112.54739
   53    52 S   HC   _H24    47     1.08135   123.71388  -178.64419
   54    52 S   CT   _C8_    48     1.50532   112.42978    -2.20549
   55    54 S   HC   _H26    49     1.09793   107.38070  -105.98036
   56    54 S   CT   _C10    50     1.53262   116.55598   130.29235
   57    56 S   HC   _H28    51     1.10088   108.09951   177.79682
   58    56 S   CO   _C14    52     1.54180   112.89646   -63.79119
   59    58 S   HC   _H32    53     1.09495   111.11733    95.81201
   60    56 S   CO4  _C7_    64     1.52191   110.77763    62.42756
   61    60 S   O    _O17    65     1.22365   125.19979  -106.62691
   62    58 S   OS   _O20    54     1.42725   113.53254   -23.65924
   63    58 S   OH   _O21    62     1.42645   108.43754  -146.85099
   64    63 S   HO   _H40    63     0.97211   106.78633  -155.15203
   65    60 S   OS   _O22    66     1.36649   109.43688    72.91864
   66    62 S   CO   _C13    55     1.42451   113.93466   -35.82440
   67    66 S   HC   _H31    56     1.09481   109.80951   -60.65492
   68    65 S   CT   _C17    67     1.43039   115.30932  -179.55238
   69    68 S   HC   _H36    68     1.09327   108.10513  -179.96044
   70    68 S   HC   _H37    69     1.09422   110.27508    61.35669
   71    68 S   HC   _H38    70     1.09420   110.29873   -61.26989
   72    47 S   CT   _C11    57     1.52945   110.19922  -111.82300
   73    72 S   HC   _H29    58     1.09538   110.69921    13.76484
   74    66 S   OS   _O19    59     1.43643   110.59333   179.26778
  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
  14   8   2   1   1  15   8   5   2   1   1   8   3  11  15  12
   5   9   3  10   4  15   7  13   8  11   5   9   2   7   2   1
   4   4   3   3   2   1   1   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    44    50    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    46    47    74    50    51    40    41    42    43  
   38    39    44    50    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    46    47    48    66    72    74    50    51    40    41    42    43  
   44    45    46    47    74    50    51    40  
   41    42    43    44    50  
   42    43  
   43  
    0  
   45    46    47    48    72    74    50    51  
   46    47    50  
   47    48    49    52    54    66    72    73    74    50    51  
   48    49    52    53    54    55    56    62    66    67    72    73    74    50    51  
   49    52    53    54    55    56    66    72    73    74    50    51  
   52    53    54    72    50  
   51    52    54    62    66    67    72    73    74  
   66    72    74  
   53    54    55    56    57    58    66    72    73    60  
   54    55    56    72  
   55    56    57    58    59    62    66    67    72    73    74    63    60    61    65  
   56    57    58    66    72    73    60  
   57    58    59    62    66    72    73    63    64    60    61    65    68  
   58    59    62    72    63    60    61    65  
   59    62    66    67    72    74    63    64    60    61    65  
   62    66    63    64    60  
   61    65    68    69    70    71    62    63    72  
   65    68  
   66    67    72    73    74    63    64  
   64    66  
    0  
   68    69    70    71  
   67    72    73    74  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.319000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    44   317.000  1.522
   38    50   268.000  1.529
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   317.000  1.510
   47    72   268.000  1.529
   47    50   268.000  1.529
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    72   268.000  1.529
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   317.000  1.522
   58    59   340.000  1.090
   58    62   320.000  1.380
   58    63   380.000  1.407
   62    66   320.000  1.380
   66    67   340.000  1.090
   66    72   250.000  1.527
   66    74   320.000  1.380
   72    73   340.000  1.090
   74    50   320.000  1.410
   50    51   340.000  1.090
   63    64   553.000  0.945
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    44    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    46    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    74    50.00000  109.50000
   38    50    51    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    85.00000  110.90400
   46    47    72    50.00000  109.50000
   46    47    50    50.00000  109.50000
   47    48    49    35.00000  117.00000
   47    48    52    70.00000  124.00000
   47    72    54    58.35000  112.70000
   47    72    66    75.00000  109.43000
   47    72    73    37.50000  110.70000
   47    50    74    50.00000  109.50000
   47    50    51    37.50000  110.70000
   48    52    53    35.00000  120.00000
   48    52    54    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  112.02700
   52    54    72    70.00000  112.02700
   54    52    53    35.00000  117.00000
   54    56    57    37.50000  110.70000
   54    56    58    75.00000  109.43000
   54    56    60    63.00000  111.10000
   54    72    66    75.00000  109.43000
   54    72    73    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    58    59    45.00000  112.01100
   56    58    62    90.00000  108.56700
   56    58    63    90.00000  110.19100
   56    60    61    80.00000  120.40000
   56    60    65    81.00000  111.40000
   58    56    57    45.00000  108.72000
   58    62    66   100.00000  109.58800
   58    63    64    70.00000  107.92000
   62    58    59    35.00000  109.50000
   62    66    67    35.00000  109.50000
   62    66    72    90.00000  108.56700
   62    66    74    92.60000  111.55000
   66    72    73    45.00000  108.72000
   66    74    50    60.00000  109.50000
   72    47    48    70.00000  112.02700
   72    54    55    37.50000  110.70000
   72    54    56    58.35000  112.70000
   72    66    67    45.00000  112.01100
   74    66    67    35.00000  109.50000
   74    66    72    90.00000  108.56700
   74    50    51    35.00000  109.50000
   50    38    39    37.50000  110.70000
   50    38    44    63.00000  111.10000
   50    47    48    70.00000  112.02700
   50    47    72    58.35000  112.70000
   63    58    59    60.00000  108.02500
   63    58    62   110.00000  112.08000
   60    56    57    35.00000  109.50000
   60    56    58    63.00000  111.10000
   60    65    68    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    46   0.36750  1.0 3.0
   33    38    50    47   0.56750  1.0 1.0
   33    38    50    47  -0.07550 -1.0 2.0
   33    38    50    47   0.20000  1.0 3.0
   33    38    50    74   0.62750  1.0 1.0
   33    38    50    74  -0.30950 -1.0 2.0
   33    38    50    74   0.27300  1.0 3.0
   33    38    50    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44   -46    47   1.63150  1.0 1.0
   38    44   -46    47   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    46   0.00000  1.0 1.0
   39    38    50    47   0.15000  1.0 3.0
   39    38    50    74   0.23400  1.0 3.0
   39    38    50    51   0.15000  1.0 3.0
   44    38   -50    47  -0.95700  1.0 1.0
   44    38   -50    47  -0.18200 -1.0 2.0
   44    38   -50    47   0.29450  1.0 3.0
   44    38    50    74  -0.09450  1.0 1.0
   44    38    50    74  -1.12950 -1.0 2.0
   44    38    50    74   0.54000  1.0 3.0
   44    38    50    51  -0.11250  1.0 3.0
   44    46    47    48  -0.82050  1.0 1.0
   44    46    47    48   0.00600 -1.0 2.0
   44    46    47    48   0.04400  1.0 3.0
   44    46    47    72  -0.25900  1.0 1.0
   44    46    47    72  -0.47000 -1.0 2.0
   44    46    47    72   0.11750  1.0 3.0
   44    46   -47    50  -0.25900  1.0 1.0
   44    46   -47    50  -0.47000 -1.0 2.0
   44    46   -47    50   0.11750  1.0 3.0
   45    44    46    47   3.00000 -1.0 2.0
   46    47    48    49   0.00000  1.0 1.0
   46    47    48    52   0.39000  1.0 1.0
   46    47    48    52  -0.05800 -1.0 2.0
   46    47    48    52  -0.55150  1.0 3.0
   46    47    72    54   0.62750  1.0 1.0
   46    47    72    54  -0.30950 -1.0 2.0
   46    47    72    54   0.27300  1.0 3.0
   46    47    72    66   0.62750  1.0 1.0
   46    47    72    66  -0.30950 -1.0 2.0
   46    47    72    66   0.27300  1.0 3.0
   46    47    72    73   0.23400  1.0 3.0
   46    47   -50    38   0.62750  1.0 1.0
   46    47   -50    38  -0.30950 -1.0 2.0
   46    47   -50    38   0.27300  1.0 3.0
   46    47    50    74   1.11900  1.0 1.0
   46    47    50    74  -1.16350 -1.0 2.0
   46    47    50    74  -0.34150  1.0 3.0
   46    47    50    51   0.23400  1.0 3.0
   47    48    52    53   7.00000 -1.0 2.0
   47    48   -52    54   7.00000 -1.0 2.0
   48    47   -72    54   0.34400  1.0 1.0
   48    47   -72    54   0.09450 -1.0 2.0
   48    47   -72    54   0.11100  1.0 3.0
   48    47    72    66   0.34400  1.0 1.0
   48    47    72    66   0.09450 -1.0 2.0
   48    47    72    66   0.11100  1.0 3.0
   48    47    72    73   0.15000  1.0 3.0
   48    47    50    38   0.34400  1.0 1.0
   48    47    50    38   0.09450 -1.0 2.0
   48    47    50    38   0.11100  1.0 3.0
   48    47    50    74   0.61850  1.0 1.0
   48    47    50    74  -0.22750 -1.0 2.0
   48    47    50    74   0.15300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    52    54    55   0.00000  1.0 1.0
   48    52    54    56   0.09850  1.0 1.0
   48    52    54    56   0.15250 -1.0 2.0
   48    52    54    56  -0.50650  1.0 3.0
   48    52   -54    72   0.09850  1.0 1.0
   48    52   -54    72   0.15250 -1.0 2.0
   48    52   -54    72  -0.50650  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    54   7.00000 -1.0 2.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.34400  1.0 1.0
   52    54    56    58   0.09450 -1.0 2.0
   52    54    56    58   0.11100  1.0 3.0
   52    54    56    60  -0.98800  1.0 1.0
   52    54    56    60   0.48800 -1.0 2.0
   52    54    56    60   0.76800  1.0 3.0
   52    54   -72    47   0.34400  1.0 1.0
   52    54   -72    47   0.09450 -1.0 2.0
   52    54   -72    47   0.11100  1.0 3.0
   52    54    72    66   0.34400  1.0 1.0
   52    54    72    66   0.09450 -1.0 2.0
   52    54    72    66   0.11100  1.0 3.0
   52    54    72    73   0.15000  1.0 3.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    72   0.00000  1.0 1.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    62   0.62750  1.0 1.0
   54    56    58    62  -0.30950 -1.0 2.0
   54    56    58    62   0.27300  1.0 3.0
   54    56    58    63   0.86500  1.0 1.0
   54    56    58    63  -0.17500 -1.0 2.0
   54    56    58    63   0.20800  1.0 3.0
   54    56    60    61   0.30150 -1.0 2.0
   54    56    60    65   0.36750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60  -0.11250  1.0 3.0
   55    54    72    47   0.15000  1.0 3.0
   55    54    72    66   0.15000  1.0 3.0
   55    54    72    73   0.15000  1.0 3.0
   56    54    72    47   0.56750  1.0 1.0
   56    54    72    47  -0.07550 -1.0 2.0
   56    54    72    47   0.20000  1.0 3.0
   56    54    72    66   3.97050  1.0 1.0
   56    54    72    73   0.15000  1.0 3.0
   56    58   -62    66   0.06250  1.0 1.0
   56    58   -62    66  -0.01100 -1.0 2.0
   56    58   -62    66   0.28050  1.0 3.0
   56    58    63    64  -0.11600  1.0 1.0
   56    58    63    64  -0.09450 -1.0 2.0
   56    58    63    64   0.21250  1.0 3.0
   56    60    65    68   1.63150  1.0 1.0
   56    60    65    68   2.92000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    65   0.00000  1.0 1.0
   58    56    60    61   0.30150 -1.0 2.0
   58    56    60    65   0.36750  1.0 3.0
   58    62    66    67   0.37050  1.0 3.0
   58    62    66    72   0.06250  1.0 1.0
   58    62    66    72  -0.01100 -1.0 2.0
   58    62    66    72   0.28050  1.0 3.0
   58    62    66    74  -0.53350  1.0 1.0
   58    62    66    74  -0.78350 -1.0 2.0
   58    62    66    74   0.33750  1.0 3.0
   59    58    62    66   0.37050  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   62    58    63    64  -0.50000  1.0 1.0
   62    58    63    64  -0.73950 -1.0 2.0
   62    58    63    64   0.17150  1.0 3.0
   62    66    72    47   0.62750  1.0 1.0
   62    66    72    47  -0.30950 -1.0 2.0
   62    66    72    47   0.27300  1.0 3.0
   62    66   -72    54   0.62750  1.0 1.0
   62    66   -72    54  -0.30950 -1.0 2.0
   62    66   -72    54   0.27300  1.0 3.0
   62    66    72    73   0.23400  1.0 3.0
   62    66    74    50  -0.53350  1.0 1.0
   62    66    74    50  -0.78350 -1.0 2.0
   62    66    74    50   0.33750  1.0 3.0
   66    74    50    38   0.06250  1.0 1.0
   66    74    50    38  -0.01100 -1.0 2.0
   66    74    50    38   0.28050  1.0 3.0
   66    74   -50    47   0.06250  1.0 1.0
   66    74   -50    47  -0.01100 -1.0 2.0
   66    74   -50    47   0.28050  1.0 3.0
   66    74    50    51   0.37050  1.0 3.0
   67    66    72    47   0.15000  1.0 3.0
   67    66    72    54   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    74    50   0.37050  1.0 3.0
   72    47    48    49   0.00000  1.0 1.0
   72    47   -48    52   0.09850  1.0 1.0
   72    47   -48    52   0.15250 -1.0 2.0
   72    47   -48    52  -0.50650  1.0 3.0
   72    47    50    38   0.56750  1.0 1.0
   72    47    50    38  -0.07550 -1.0 2.0
   72    47    50    38   0.20000  1.0 3.0
   72    47   -50    74   0.62750  1.0 1.0
   72    47   -50    74  -0.30950 -1.0 2.0
   72    47   -50    74   0.27300  1.0 3.0
   72    47    50    51   0.15000  1.0 3.0
   72    54    56    57   0.15000  1.0 3.0
   72    54   -56    58   3.97050  1.0 1.0
   72    54    56    60  -0.95700  1.0 1.0
   72    54    56    60  -0.18200 -1.0 2.0
   72    54    56    60   0.29450  1.0 3.0
   72    66   -74    50   0.06250  1.0 1.0
   72    66   -74    50  -0.01100 -1.0 2.0
   72    66   -74    50   0.28050  1.0 3.0
   74    66   -72    47   0.62750  1.0 1.0
   74    66   -72    47  -0.30950 -1.0 2.0
   74    66   -72    47   0.27300  1.0 3.0
   74    66    72    54   0.62750  1.0 1.0
   74    66    72    54  -0.30950 -1.0 2.0
   74    66    72    54   0.27300  1.0 3.0
   74    66    72    73   0.23400  1.0 3.0
   50    38    44    45   0.30150 -1.0 2.0
   50    38   -44    46   0.36750  1.0 3.0
   50    47    48    49   0.00000  1.0 1.0
   50    47    48    52   0.09850  1.0 1.0
   50    47    48    52   0.15250 -1.0 2.0
   50    47    48    52  -0.50650  1.0 3.0
   50    47    72    54   0.56750  1.0 1.0
   50    47    72    54  -0.07550 -1.0 2.0
   50    47    72    54   0.20000  1.0 3.0
   50    47   -72    66   3.97050  1.0 1.0
   50    47    72    73   0.15000  1.0 3.0
   63    58    62    66  -0.70900  1.0 1.0
   63    58    62    66  -1.18000 -1.0 2.0
   63    58    62    66   0.91650  1.0 3.0
   60    56    58    59  -0.11250  1.0 3.0
   60    56    58    62  -0.09450  1.0 1.0
   60    56    58    62  -1.12950 -1.0 2.0
   60    56    58    62   0.54000  1.0 3.0
   60    56    58    63  -0.09450  1.0 1.0
   60    56    58    63  -1.12950 -1.0 2.0
   60    56    58    63   0.54000  1.0 3.0
   60    65    68    69   0.08050  1.0 3.0
   60    65    68    70   0.08050  1.0 3.0
   60    65    68    71   0.08050  1.0 3.0
   61    60    65    68   3.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    50   0.56750  1.0 1.0
   40    33    38    50  -0.07550 -1.0 2.0
   40    33    38    50   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    46    44    45  10.50000 -1.0 2.0
   47    49    48    52   1.10000 -1.0 2.0
   54    53    52    48   1.10000 -1.0 2.0
   56    65    60    61  10.50000 -1.0 2.0
END
