* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    125    195     370
    1     0 S   NP   _N1_     1    28.75883    94.22794   -22.44471
    2     1 S   H    _HN1     2     1.02830    27.92159   161.05194
    3     1 S   H    _H1_     3     1.02786    99.99210   -89.50096
    4     1 S   H    _H2_     4     1.02949    84.94531    18.26111
    5     1 S   CT   _CA1     5     1.50152   136.32194   132.78521
    6     5 S   HC   _HA1     6     1.09575   105.13846    73.02470
    7     5 S   CO3  _C1_     7     1.53742   112.44830   -47.02856
    8     7 S   O2Z  _O11     8     1.26432   115.11984   -41.31264
    9     7 S   O2Z  _O12     9     1.26236   115.01590   137.87067
   10     5 S   CT   _CB1    10     1.53105   107.37221  -169.10250
   11    10 S   HC   HB11    11     1.09830   109.24688   -49.36049
   12    10 S   HC   HB12    12     1.09816   110.43649    67.18613
   13    10 S   CT   _CG1    13     1.53035   112.79121  -170.40593
   14    13 S   HC   HG11    14     1.09607   110.48601   -66.78114
   15    13 S   HC   HG12    15     1.09664   109.89811    52.46229
   16    13 S   C    _CD1    16     1.51916   112.25630   172.75570
   17    16 S   O    _OE1    17     1.22739   123.24736     3.45406
   18    16 S   N    _N2_    18     1.38634   111.69318  -176.56647
   19    18 S   H    _HN2    19     1.01584   118.96437     1.44062
   20    18 S   CT1  _CA2    20     1.46435   123.54299   179.52853
   21    20 S   HC   _HA2    21     1.09739   109.33559    -4.01278
   22    20 S   C    _C2_    22     1.53439   108.62433  -119.47271
   23    22 S   O    _O2_    23     1.23029   122.39668  -149.51564
   24    20 S   CT   _CB2    32     1.53406   111.17358   117.94221
   25    24 S   HC   HB21    33     1.09544   109.33636    55.44129
   26    24 S   HC   HB22    34     1.09468   110.97885   174.52425
   27    22 S   N    _N3_    24     1.38384   113.55208    38.13949
   28    27 S   H    _HN3    25     1.01616   119.45349    -3.75405
   29    24 S   S    _SG2    35     1.82660   110.66840   -65.79059
   30    27 S   CT   _CA3    26     1.45275   123.17817   176.92114
   31    30 S   HC   HA31    27     1.09551   107.54309   -63.55411
   32    30 S   HC   HA32    28     1.09557   107.93668    52.86197
   33    29 S   CT   _C7_    36     1.84320    99.95300   154.44241
   34    33 S   HC   _H3_    37     1.09464   108.60805   -27.31310
   35    30 S   CO3  _C3_    29     1.52944   114.11282   174.83434
   36    35 S   O2Z  _O31    30     1.26370   116.06111    -0.64559
   37    35 S   O2Z  _O32    31     1.26428   114.41431   179.41216
   38    33 S   CM   _C8_    38     1.53040   109.77340    93.84218
   39    38 S   CT   _C4_    39     1.52592   115.23280    75.87794
   40    39 S   HC   _H8_    40     1.09613   109.41422   -86.03645
   41    39 S   HC   _H9_    41     1.09453   111.30747   155.41001
   42    38 S   CMA  _C9_    65     1.36148   121.40171  -106.38090
   43    42 S   OM   _O33    66     1.25931   130.22961     0.08847
   44    39 S   CM   _C5_    42     1.50241   113.12472    35.48010
   45    44 S   HC   _H10    43     1.08499   118.47371   168.26041
   46    42 S   NE   _N5_    67     1.36771   122.55905   178.96297
   47    46 S   H    _H12    68     1.00850   122.20532    -4.19825
   48    46 S   H    _H13    69     1.01176   117.22874  -178.37129
   49    44 S   CM   _C6_    44     1.33724   121.44842   -11.47319
   50    49 S   HC   _H11    45     1.08433   121.04934   178.84479
   51    33 S   N*   _N4_    46     1.47919   109.53872  -144.54678
   52    51 S   CO   _C10    47     1.46733   115.98138    83.12572
   53    52 S   HC   _H4_    48     1.09776   110.11000    -0.75069
   54    52 S   CT   _C11    49     1.52545   112.33284   121.75107
   55    54 S   HC   _H5_    50     1.09642   111.93219    41.05346
   56    54 S   CT   _C12    51     1.51751   101.14396   157.29870
   57    56 S   HC   _H6_    52     1.09390   113.00747  -162.41010
   58    54 S   OH   _O37    63     1.41466   112.93203   -81.68476
   59    58 S   HO   _H18    64     0.97349   107.14588    56.85025
   60    56 S   CT   _C13    53     1.52883   100.82852   -40.76721
   61    60 S   HC   _H7_    54     1.09702   110.27778   -80.06005
   62    56 S   OH   _O36    61     1.42621   109.75414    76.71328
   63    62 S   HO   _H17    62     0.97225   107.78313   173.09033
   64    52 S   OS   _O34    55     1.44077   111.97679  -119.09630
   65    60 S   CT   _C14    56     1.52147   115.26555   153.98921
   66    65 S   HC   _H14    57     1.09386   111.26222    52.52785
   67    65 S   HC   _H15    58     1.09437   110.81987   -69.87306
   68    65 S   OH   _O35    59     1.42439   109.19430   171.63421
   69    68 S   HO   _H16    60     0.97599   106.69970   166.06195
  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   8   5   4   3
  16   6   2   1   1  13  10   5   4   6   3   5   3   2   1   1
   6   2   8  12   6  11   7  12   7   4   1   9   6   3   1   4
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    52    53    54    64    42    43    46  
   38    39    49    51    52    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    51    52    42    43    46    47    48  
   40    41    44    45    49    50    51    42    43    46  
   41    44    45    49    42  
   44    45    49    42  
   43    46    47    48    44    51  
   46    47    48  
   45    49    50    51    52  
   49    50    51  
   47    48  
   48  
    0  
   50    51    52    53    54    64  
   51    52  
   52    53    54    55    56    60    64    58  
   53    54    55    56    57    60    61    64    65    62    58    59  
   54    55    56    60    64    58  
   55    56    57    60    61    64    65    62    63    58    59  
   56    57    60    64    62    58    59  
   57    60    61    64    65    66    67    68    62    63    58    59  
   60    61    64    65    62    63    58  
   59    60    62    64  
    0  
   61    64    65    66    67    68    69    62    63  
   64    65    66    67    68    62  
   63    64    65  
    0  
   65    66    67    68  
   66    67    68    69  
   67    68    69  
   68    69  
   69  
    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   0.342800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    51   337.000  1.475
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    51   448.000  1.365
   51    52   275.000  1.479
   52    53   340.000  1.090
   52    54   250.000  1.527
   52    64   320.000  1.380
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   320.000  1.410
   60    61   340.000  1.090
   60    64   320.000  1.410
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   320.000  1.410
   68    69   553.000  0.945
   62    63   553.000  0.945
   58    59   553.000  0.945
   42    43   745.000  1.250
   42    46   415.000  1.382
   46    47   434.000  1.010
   46    48   434.000  1.010
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  112.20000
   29    33    51    80.00000  108.62000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    51    49    70.00000  121.20000
   33    51    52    65.00000  120.78000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  110.12100
   38    42    43    65.00000  137.10300
   38    42    46    75.00000  114.40000
   39    44    45    35.00000  117.00000
   39    44    49    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    51    70.00000  121.20000
   49    44    45    35.00000  120.00000
   49    51    52    70.00000  121.20000
   51    33    34    35.00000  109.50000
   51    33    38    80.00000  111.76000
   51    49    50    35.00000  119.10000
   51    52    53    55.00000  103.44000
   51    52    54    75.00000  107.44000
   51    52    64   105.00000  106.22000
   52    54    55    45.00000  108.72000
   52    54    56    75.00000  109.43000
   52    54    58    90.00000  111.58700
   52    64    60    60.00000  109.50000
   54    52    53    45.00000  112.01100
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    62    50.00000  109.50000
   54    58    59    55.00000  108.50000
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    50.00000  109.50000
   56    60    65    58.35000  112.70000
   56    62    63    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    50.00000  109.50000
   64    52    53    35.00000  109.50000
   64    52    54    90.00000  108.56700
   64    60    61    35.00000  109.50000
   65    60    61    37.50000  110.70000
   65    60    64    50.00000  109.50000
   65    68    69    55.00000  108.50000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   62    56    57    35.00000  109.50000
   62    56    60    50.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    56    50.00000  109.50000
   42    38    39    70.00000  124.00000
   42    46    47    50.00000  121.48000
   42    46    48    50.00000  121.48000
   46    42    43   105.00000  113.92000
   48    46    47    35.00000  109.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    51    49   0.68100  1.0 1.0
   29    33    51    49   0.03350 -1.0 2.0
   29    33    51    49   0.36200  1.0 3.0
   29    33    51    52   0.68100  1.0 1.0
   29    33    51    52   0.03350 -1.0 2.0
   29    33    51    52   0.36200  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.09700  1.0 1.0
   33    38    39    44   0.15600 -1.0 2.0
   33    38    39    44  -0.50800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    51    52    53   0.00000  1.0 1.0
   33    51    52    54   2.08450  1.0 1.0
   33    51    52    54  -0.39300 -1.0 2.0
   33    51    52    54   0.23400  1.0 3.0
   33    51    52    64   0.10350  1.0 1.0
   33    51    52    64  -0.15350 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    51    49   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    49   0.68100  1.0 1.0
   38    33    51    49   0.03350 -1.0 2.0
   38    33    51    49   0.36200  1.0 3.0
   38    33    51    52   0.68100  1.0 1.0
   38    33    51    52   0.03350 -1.0 2.0
   38    33    51    52   0.36200  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39   -44    49  -0.28300  1.0 1.0
   38    39   -44    49   0.26700 -1.0 2.0
   38    39   -44    49  -0.63300  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    48   1.00000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    49    50   7.00000 -1.0 2.0
   39    44    49    51   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    49   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    49   0.00000  1.0 1.0
   44    49   -51    33  -0.88150  1.0 1.0
   44    49   -51    33   2.95600 -1.0 2.0
   44    49    51    52  -0.88150  1.0 1.0
   44    49    51    52   2.95600 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    51   7.00000 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   2.08450  1.0 1.0
   49    51    52    54  -0.39300 -1.0 2.0
   49    51    52    54   0.23400  1.0 3.0
   49    51    52    64  -0.28000  1.0 1.0
   49    51    52    64  -1.16550 -1.0 2.0
   50    49    51    33   1.88100 -1.0 2.0
   50    49    51    52   1.88100 -1.0 2.0
   51    33   -38    39   0.09700  1.0 1.0
   51    33   -38    39   0.15600 -1.0 2.0
   51    33   -38    39  -0.50800  1.0 3.0
   51    33    38    42   0.62150  1.0 1.0
   51    33    38    42   0.42850 -1.0 2.0
   51    33    38    42  -0.68200  1.0 3.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56  -0.27100  1.0 1.0
   51    52    54    56  -0.01700 -1.0 2.0
   51    52    54    56  -0.48600  1.0 3.0
   51    52    54    58   2.76900  1.0 1.0
   51    52    54    58  -0.24350 -1.0 2.0
   51    52    54    58  -0.78250  1.0 3.0
   51    52    64    60  -2.37750  1.0 1.0
   51    52    64    60  -0.08150 -1.0 2.0
   51    52    64    60   0.59000  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54   -56    60   3.97050  1.0 1.0
   52    54    56    62   0.86500  1.0 1.0
   52    54    56    62  -0.17500 -1.0 2.0
   52    54    56    62   0.20800  1.0 3.0
   52    54    58    59  -0.11600  1.0 1.0
   52    54    58    59  -0.09450 -1.0 2.0
   52    54    58    59   0.21250  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    58   0.23400  1.0 3.0
   53    52    64    60   0.37050  1.0 3.0
   54    52   -64    60   0.06250  1.0 1.0
   54    52   -64    60  -0.01100 -1.0 2.0
   54    52   -64    60   0.28050  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56   -60    64   0.62750  1.0 1.0
   54    56   -60    64  -0.30950 -1.0 2.0
   54    56   -60    64   0.27300  1.0 3.0
   54    56    60    65   0.56750  1.0 1.0
   54    56    60    65  -0.07550 -1.0 2.0
   54    56    60    65   0.20000  1.0 3.0
   54    56    62    63  -0.11600  1.0 1.0
   54    56    62    63  -0.09450 -1.0 2.0
   54    56    62    63   0.21250  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    62   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59  -0.11600  1.0 1.0
   56    54    58    59  -0.09450 -1.0 2.0
   56    54    58    59   0.21250  1.0 3.0
   56    60   -64    52   0.06250  1.0 1.0
   56    60   -64    52  -0.01100 -1.0 2.0
   56    60   -64    52   0.28050  1.0 3.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    68   0.86500  1.0 1.0
   56    60    65    68  -0.17500 -1.0 2.0
   56    60    65    68   0.20800  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.23400  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63  -0.11600  1.0 1.0
   60    56    62    63  -0.09450 -1.0 2.0
   60    56    62    63   0.21250  1.0 3.0
   60    65    68    69  -0.11600  1.0 1.0
   60    65    68    69  -0.09450 -1.0 2.0
   60    65    68    69   0.21250  1.0 3.0
   61    60    64    52   0.37050  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.23400  1.0 3.0
   64    52    54    55   0.23400  1.0 3.0
   64    52   -54    56   0.62750  1.0 1.0
   64    52   -54    56  -0.30950 -1.0 2.0
   64    52   -54    56   0.27300  1.0 3.0
   64    52    54    58   3.69350  1.0 1.0
   64    52    54    58  -1.82950 -1.0 2.0
   64    60    65    66   0.23400  1.0 3.0
   64    60    65    67   0.23400  1.0 3.0
   64    60    65    68   3.69350  1.0 1.0
   64    60    65    68  -1.82950 -1.0 2.0
   65    60    64    52   0.06250  1.0 1.0
   65    60    64    52  -0.01100 -1.0 2.0
   65    60    64    52   0.28050  1.0 3.0
   66    65    68    69   0.19450  1.0 3.0
   67    65    68    69   0.19450  1.0 3.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64   3.69350  1.0 1.0
   62    56    60    64  -1.82950 -1.0 2.0
   62    56    60    65   0.86500  1.0 1.0
   62    56    60    65  -0.17500 -1.0 2.0
   62    56    60    65   0.20800  1.0 3.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    60   0.86500  1.0 1.0
   58    54    56    60  -0.17500 -1.0 2.0
   58    54    56    60   0.20800  1.0 3.0
   58    54    56    62   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44  -0.28300  1.0 1.0
   42    38    39    44   0.26700 -1.0 2.0
   42    38    39    44  -0.63300  1.0 3.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    48   1.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   39    45    44    49   1.10000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   52    49    51    33   1.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
