* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    213     414
    1     0 S   NP   _N1_     1    28.77620    95.10099   -20.03197
    2     1 S   H    _HN1     2     1.02956    90.42740    22.73272
    3     1 S   H    _H1_     3     1.02837    38.24952   140.42744
    4     1 S   H    _H2_     4     1.02778    81.43533   -85.73510
    5     1 S   CT   _CA1     5     1.50134   148.32808   155.29730
    6     5 S   HC   _HA1     6     1.09571   105.23896    49.50174
    7     5 S   CO3  _C1_     7     1.53844   112.23457   -70.73503
    8     7 S   O2Z  _O11     8     1.26377   115.01525   -45.65211
    9     7 S   O2Z  _O12     9     1.26223   114.93316   133.35071
   10     5 S   CT   _CB1    10     1.53092   107.40647   167.42968
   11    10 S   HC   HB11    11     1.09821   109.49184   -49.63074
   12    10 S   HC   HB12    12     1.09824   110.35945    66.97588
   13    10 S   CT   _CG1    13     1.53005   112.62778  -170.69747
   14    13 S   HC   HG11    14     1.09525   110.29900   -60.70664
   15    13 S   HC   HG12    15     1.09632   110.10089    58.42964
   16    13 S   C    _CD1    16     1.51832   112.20754   178.76742
   17    16 S   O    _OE1    17     1.22743   123.18436    -7.14196
   18    16 S   N    _N2_    18     1.38618   111.75866   173.11701
   19    18 S   H    _HN2    19     1.01612   118.97347     0.94212
   20    18 S   CT1  _CA2    20     1.46322   123.38516  -177.51832
   21    20 S   HC   _HA2    21     1.09729   109.38360   -11.30331
   22    20 S   C    _C2_    22     1.53367   108.58291  -127.17980
   23    22 S   O    _O2_    23     1.23023   122.16450  -146.57708
   24    20 S   CT   _CB2    32     1.53517   111.17720   110.62915
   25    24 S   HC   HB21    33     1.09311   109.18075    57.52107
   26    24 S   HC   HB22    34     1.09511   110.75554   175.91496
   27    22 S   N    _N3_    24     1.38482   113.41459    40.83277
   28    27 S   H    _HN3    25     1.01528   118.89674    -0.79451
   29    24 S   S    _SG2    35     1.82708   111.23776   -64.59177
   30    27 S   CT   _CA3    26     1.45454   123.50477   175.12151
   31    30 S   HC   HA31    27     1.09519   109.29455    23.14778
   32    30 S   HC   HA32    28     1.09497   107.10507   140.15484
   33    29 S   CT   _C10    36     1.84740   100.84469   159.26230
   34    33 S   HC   _H4_    37     1.08690   104.18858    45.58354
   35    30 S   CO3  _C3_    29     1.52922   113.08804  -100.37473
   36    35 S   O2Z  _O31    30     1.26405   115.39696   -44.75305
   37    35 S   O2Z  _O32    31     1.26355   114.99222   136.18299
   38    33 S   CT   _C11    38     1.54860   108.19612   162.32916
   39    38 S   HC   _H15    39     1.09249   108.92545   158.78418
   40    38 S   HC   _H16    40     1.09764   110.19098    46.77821
   41    33 S   CT   _C9_    61     1.56291   113.00898   -69.35728
   42    41 S   HC   _H3_    62     1.09874   106.63260    67.95323
   43    38 S   CT   _C12    41     1.55044   118.71486   -80.89346
   44    43 S   HC   _H5_    42     1.10160   105.82855  -153.63679
   45    41 S   CO4  _C18    63     1.52319   112.84884   -46.49757
   46    45 S   O    _O35    64     1.22569   122.98925   113.06137
   47    43 S   CM   _C16    43     1.49616   119.13303    89.27158
   48    45 S   OS   _O36    65     1.36139   111.32330   -66.74685
   49    47 S   CO4  _C15    44     1.48300   107.65624  -159.19640
   50    49 S   O    _O34    45     1.21730   127.20253  -167.43448
   51    48 S   CT   _C19    66     1.43085   115.08137   177.71065
   52    51 S   HC   _H21    67     1.09319   108.10289   179.22167
   53    51 S   HC   _H22    68     1.09421   110.43604    60.41537
   54    51 S   HC   _H23    69     1.09415   110.06204   -62.21923
   55    47 S   CM   _C17    74     1.33561   131.32138    21.53738
   56    55 S   HC   _H19    75     1.08394   121.62663     0.16786
   57    55 S   HC   _H20    76     1.08549   121.54168   179.78511
   58    49 S   OS   _O33    46     1.36580   106.87891    10.69338
   59    43 S   CT   _C13    47     1.53471   119.60961   -31.72707
   60    59 S   HC   _H6_    48     1.09728   111.92769    53.31241
   61    59 S   CT   _C14    49     1.54213   116.16300   -74.13981
   62    61 S   HC   _H17    50     1.09762   109.86341   -40.60926
   63    61 S   HC   _H18    51     1.09762   110.04350  -155.45201
   64    61 S   CM   _C5_    52     1.51338   111.10505    83.21889
   65    64 S   CM   _C6_    53     1.34529   118.91469   -92.15023
   66    65 S   HC   _H10    54     1.08956   117.96058   -10.46217
   67    64 S   CT   _C4_    70     1.50432   115.67597    81.64835
   68    67 S   HC   _H7_    71     1.09379   111.12787   -65.50642
   69    67 S   HC   _H8_    72     1.09270   112.95871   172.76828
   70    67 S   HC   _H9_    73     1.09549   109.81042    54.14558
   71    65 S   CT   _C7_    55     1.49933   127.16809   158.95538
   72    71 S   HC   _H11    56     1.09309   113.09061     7.61953
   73    71 S   HC   _H12    57     1.09645   107.90314   125.52206
   74    71 S   CT   _C8_    58     1.54293   111.03097  -115.29191
   75    74 S   HC   _H13    59     1.09960   106.85219  -165.11233
   76    74 S   HC   _H14    60     1.09725   109.99468   -52.08183
  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
  17   8   2   1   1  15   6   5  13   7  14   7  10   3   9   5
   8   3   3   2   1   1   4   1   1   6   7   4  10   4   3  10
  11   5   4   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    74    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    59    71    74    75    76    41    42    45    46    48  
   38    39    40    43    74    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    49    58    59    60    61    74    41    42    45    55  
   40    43    44    47    59    41  
   43    44    47    59    41  
   42    45    46    48    51    43    65    71    72    73    74    75    76  
   45    46    48    71    74    75    76  
   44    47    49    50    58    59    60    61    62    63    64    55    56    57  
   47    49    58    59    60    61    55  
   46    48    51    52    53    54    71    74    75    76  
   48    51    74  
   49    50    58    59    60    61    55    56    57  
   51    52    53    54    74  
   50    58    59    60    61    55    56    57  
   58    59    55  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    67  
   61    62    63    64  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    67  
   64    65    67  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    74    75    76    67    68    69    70  
   71    72    73    74    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    59   268.000  1.529
   47    49   320.000  1.462
   47    55   549.000  1.340
   49    50   570.000  1.229
   49    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    41   268.000  1.529
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.080
   55    57   340.000  1.080
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    74    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    70.00000  112.02700
   38    43    59    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    47    49    65.00000  116.34900
   43    47    55    70.00000  124.00000
   43    59    58    50.00000  109.50000
   43    59    60    37.50000  110.70000
   43    59    61    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    49    50    80.00000  123.72100
   47    49    58    90.00000  111.29400
   47    55    56    35.00000  120.00000
   47    55    57    35.00000  120.00000
   49    58    59    83.00000  116.90000
   58    49    50    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    43    44    37.50000  110.70000
   59    43    47    70.00000  112.02700
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.02700
   61    59    60    37.50000  110.70000
   61    64    65    70.00000  124.00000
   61    64    67    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    70.00000  112.02700
   71    65    66    35.00000  117.00000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    41    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    41    42    37.50000  110.70000
   74    41    45    63.00000  111.10000
   76    74    75    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    74    75    37.50000  110.70000
   41    74    76    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    48    81.00000  111.40000
   45    41    42    35.00000  109.50000
   45    48    51    83.00000  116.90000
   48    45    46    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    47    49    65.00000  118.96000
   57    55    56    35.00000  117.00000
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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  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    41    74   0.44750  1.0 1.0
   29    33    41    74  -0.17800 -1.0 2.0
   29    33    41    74   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.34400  1.0 1.0
   33    38    43    47   0.09450 -1.0 2.0
   33    38    43    47   0.11100  1.0 3.0
   33    38    43    59   0.56750  1.0 1.0
   33    38    43    59  -0.07550 -1.0 2.0
   33    38    43    59   0.20000  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    74   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    74   0.56750  1.0 1.0
   38    33    41    74  -0.07550 -1.0 2.0
   38    33    41    74   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    43    47    49   0.09700  1.0 1.0
   38    43    47    49   0.15600 -1.0 2.0
   38    43    47    49  -0.50800  1.0 3.0
   38    43    47    55   0.09850  1.0 1.0
   38    43    47    55   0.15250 -1.0 2.0
   38    43    47    55  -0.50650  1.0 3.0
   38    43    59    58   0.62750  1.0 1.0
   38    43    59    58  -0.30950 -1.0 2.0
   38    43    59    58   0.27300  1.0 3.0
   38    43    59    60   0.15000  1.0 3.0
   38    43    59    61   0.56750  1.0 1.0
   38    43    59    61  -0.07550 -1.0 2.0
   38    43    59    61   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    59   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    59   0.15000  1.0 3.0
   43    47    49    50  -0.64400  1.0 1.0
   43    47    49    50   0.26850 -1.0 2.0
   43    47   -49    58  -0.15000  1.0 1.0
   43    47   -49    58   0.89550 -1.0 2.0
   43    47   -49    58  -0.06900  1.0 3.0
   43    47    55    56   7.00000 -1.0 2.0
   43    47    55    57   7.00000 -1.0 2.0
   43    59    61    62   0.15000  1.0 3.0
   43    59    61    63   0.15000  1.0 3.0
   43    59    61    64   0.34400  1.0 1.0
   43    59    61    64   0.09450 -1.0 2.0
   43    59    61    64   0.11100  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    59    58   0.23400  1.0 3.0
   44    43    59    60   0.15000  1.0 3.0
   44    43    59    61   0.15000  1.0 3.0
   47    43   -59    58   0.61850  1.0 1.0
   47    43   -59    58  -0.22750 -1.0 2.0
   47    43   -59    58   0.15300  1.0 3.0
   47    43    59    60   0.15000  1.0 3.0
   47    43    59    61   0.34400  1.0 1.0
   47    43    59    61   0.09450 -1.0 2.0
   47    43    59    61   0.11100  1.0 3.0
   47    49   -58    59   2.00000 -1.0 2.0
   49    47    55    56   7.00000 -1.0 2.0
   49    47    55    57   7.00000 -1.0 2.0
   49    58   -59    43  -0.25900  1.0 1.0
   49    58   -59    43  -0.47000 -1.0 2.0
   49    58   -59    43   0.11750  1.0 3.0
   49    58    59    60   0.08050  1.0 3.0
   49    58    59    61  -0.25900  1.0 1.0
   49    58    59    61  -0.47000 -1.0 2.0
   49    58    59    61   0.11750  1.0 3.0
   50    49    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64   0.61850  1.0 1.0
   58    59    61    64  -0.22750 -1.0 2.0
   58    59    61    64   0.15300  1.0 3.0
   59    43   -47    49   0.09700  1.0 1.0
   59    43   -47    49   0.15600 -1.0 2.0
   59    43   -47    49  -0.50800  1.0 3.0
   59    43    47    55   0.09850  1.0 1.0
   59    43    47    55   0.15250 -1.0 2.0
   59    43    47    55  -0.50650  1.0 3.0
   59    61    64    65   0.09850  1.0 1.0
   59    61    64    65   0.15250 -1.0 2.0
   59    61    64    65  -0.50650  1.0 3.0
   59    61    64    67   0.46850  1.0 1.0
   59    61    64    67   0.08550 -1.0 2.0
   59    61    64    67   0.09800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   7.00000 -1.0 2.0
   61    64    65    71   7.00000 -1.0 2.0
   61    64    67    68   0.34800  1.0 3.0
   61    64    67    69   0.34800  1.0 3.0
   61    64    67    70   0.34800  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.34800  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    67   0.34800  1.0 3.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    73   0.00000  1.0 1.0
   64    65    71    74   0.09850  1.0 1.0
   64    65    71    74   0.15250 -1.0 2.0
   64    65    71    74  -0.50650  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    74    75   0.15000  1.0 3.0
   65    71    74    76   0.15000  1.0 3.0
   65    71    74    41   0.34400  1.0 1.0
   65    71    74    41   0.09450 -1.0 2.0
   65    71    74    41   0.11100  1.0 3.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    73   0.33100  1.0 3.0
   66    65    71    74   0.00000  1.0 1.0
   71    74    41    33   0.56750  1.0 1.0
   71    74    41    33  -0.07550 -1.0 2.0
   71    74    41    33   0.20000  1.0 3.0
   71    74    41    42   0.15000  1.0 3.0
   71    74    41    45  -0.95700  1.0 1.0
   71    74    41    45  -0.18200 -1.0 2.0
   71    74    41    45   0.29450  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    41   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    41   0.15000  1.0 3.0
   74    41    45    46   0.30150 -1.0 2.0
   74    41    45    48   0.36750  1.0 3.0
   75    74    41    33   0.15000  1.0 3.0
   75    74    41    42   0.15000  1.0 3.0
   75    74    41    45  -0.11250  1.0 3.0
   76    74    41    33   0.15000  1.0 3.0
   76    74    41    42   0.15000  1.0 3.0
   76    74    41    45  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    45    48    51   1.63150  1.0 1.0
   41    45    48    51   2.92000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   45    48    51    52   0.08050  1.0 3.0
   45    48    51    53   0.08050  1.0 3.0
   45    48    51    54   0.08050  1.0 3.0
   46    45    48    51   3.00000 -1.0 2.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   55    47    49    50   1.00000 -1.0 2.0
   55    47    49    58  -0.56150  1.0 1.0
   55    47    49    58   2.19150 -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
   43    49    47    55   1.10000 -1.0 2.0
   47    58    49    50  10.50000 -1.0 2.0
   61    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   41    48    45    46  10.50000 -1.0 2.0
   56    57    55    47   1.10000 -1.0 2.0
END
