* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    134    217     394
    1     0 S   NP   _N1_     1    29.43016    94.17976   -24.10355
    2     1 S   H    _HN1     2     1.02959    78.29823    34.07237
    3     1 S   H    _H1_     3     1.02832    30.61993  -166.23068
    4     1 S   H    _H2_     4     1.02776   108.16133   -71.59299
    5     1 S   CT   _CA1     5     1.50127   132.53013   141.09207
    6     5 S   HC   _HA1     6     1.09573   105.22306    84.79214
    7     5 S   CO3  _C1_     7     1.53774   112.41513   -35.44462
    8     7 S   O2Z  _O11     8     1.26363   115.00369   -43.25850
    9     7 S   O2Z  _O12     9     1.26238   114.93683   135.88793
   10     5 S   CT   _CB1    10     1.53054   107.39789  -157.28554
   11    10 S   HC   HB11    11     1.09769   109.25090   -50.43986
   12    10 S   HC   HB12    12     1.09818   110.45272    66.07638
   13    10 S   CT   _CG1    13     1.53000   112.70842  -171.48641
   14    13 S   HC   HG11    14     1.09586   110.49329   -64.30430
   15    13 S   HC   HG12    15     1.09655   109.96046    54.98378
   16    13 S   C    _CD1    16     1.51751   112.22170   175.28798
   17    16 S   O    _OE1    17     1.22674   123.14924    -0.01978
   18    16 S   N    _N2_    18     1.38533   111.73941  -180.00000
   19    18 S   H    _HN2    19     1.01595   118.92360    -1.20885
   20    18 S   CT1  _CA2    20     1.46163   123.42302   178.85448
   21    20 S   HC   _HA2    21     1.09497   109.01222   -22.30022
   22    20 S   C    _C2_    22     1.53426   107.70917  -137.07445
   23    22 S   O    _O2_    23     1.22990   122.71937  -143.62265
   24    20 S   CT   _CB2    32     1.53426   111.98136   100.92433
   25    24 S   HC   HB21    33     1.09683   109.28639    56.80665
   26    24 S   HC   HB22    34     1.09478   111.08450   173.42860
   27    22 S   N    _N3_    24     1.38500   113.23815    43.55427
   28    27 S   H    _HN3    25     1.01645   119.36931    -3.10362
   29    24 S   S    _SG2    35     1.83316   115.23996   -62.67611
   30    27 S   CT   _CA3    26     1.45300   122.80837   176.82251
   31    30 S   HC   HA31    27     1.09557   107.90895   -56.26911
   32    30 S   HC   HA32    28     1.09564   107.49565    60.02853
   33    29 S   CT   _C10    36     1.84722   100.89979   -67.02538
   34    33 S   HC   _H3_    37     1.09043   105.44323    54.86391
   35    30 S   CO3  _C3_    29     1.52854   114.24204  -177.76200
   36    35 S   O2Z  _O31    30     1.26395   115.95196    14.44912
   37    35 S   O2Z  _O32    31     1.26379   114.54273  -165.99122
   38    33 S   CA   _C7_    38     1.52103   110.30283   170.37247
   39    33 S   CM   _C11    49     1.51076   109.77582   -64.55216
   40    39 S   HC   _H9_    50     1.09226   114.98733   -52.30722
   41    38 S   CA   _C6_    39     1.40506   119.46199  -109.31470
   42    41 S   HA   _H6_    40     1.08708   120.35991    -0.00000
   43    39 S   CMA  _C12    51     1.35564   128.45173   125.06044
   44    43 S   OM   _O34    52     1.26145   126.63709  -176.96978
   45    41 S   CA   _C5_    41     1.39602   120.86291   179.69610
   46    45 S   HA   _H5_    42     1.08616   119.91515  -179.98022
   47    43 S   NE   _N4_    53     1.39480   121.20916     3.58157
   48    47 S   H    _H10    54     1.01260   115.40396     4.92131
   49    45 S   CA   _C4_    43     1.39255   120.04350    -0.12354
   50    49 S   HA   _H4_    44     1.08600   120.06445  -180.00000
   51    47 S   CT   _C13    55     1.45894   129.11402  -168.38587
   52    51 S   HC   _H11    56     1.09643   109.41865    70.46184
   53    51 S   HC   _H12    57     1.09661   110.29086   -48.09410
   54    49 S   CA   _C9_    45     1.39296   119.88678    -0.12972
   55    54 S   HA   _H8_    46     1.08626   119.98407  -179.79729
   56    51 S   CT   _C14    58     1.53091   111.17348  -167.11835
   57    56 S   HC   _H13    59     1.09680   109.44163    57.45169
   58    56 S   HC   _H14    60     1.09770   108.59508   172.97527
   59    38 S   CA   _C8_    47     1.40486   122.20034    69.95829
   60    59 S   HA   _H7_    48     1.08718   120.58969     0.11703
   61    56 S   C5B  _C15    61     1.49757   114.16846   -66.28022
   62    61 S   C5A  _C16    62     1.38127   126.21408   -70.25961
   63    62 S   HA   _H15    63     1.08136   131.20670     1.09110
   64    62 S   NA   _N5_    64     1.36742   108.48724  -178.99303
   65    64 S   H    _H16    65     1.01247   125.10589  -178.97416
   66    64 S   C56A _C17    66     1.37423   110.27002     0.21489
   67    66 S   CA   _C22    67     1.40005   129.90536   179.49101
   68    67 S   HA   _H19    68     1.08502   121.32297     0.13417
   69    67 S   CA   _C21    69     1.39678   117.63858  -179.96574
   70    69 S   HA   _H18    70     1.08666   119.35630  -179.91153
   71    69 S   CA   _C20    71     1.39060   120.50097    -0.39167
   72    71 S   CA   _C19    72     1.39903   121.55837     0.44675
   73    72 S   HA   _H17    73     1.08572   120.81940   179.98022
   74    71 S   OH   _O33    75     1.36855   117.89639  -179.41987
   75    74 S   HO   _H20    76     0.97249   108.46802   179.51786
   76    61 S   C56B _C18    74     1.43443   127.06227   110.77960
  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
  13   6   2   1   1  12   8   3   8   4   7   3   6   3   8   4
   5   3   8   5   4   3   2   9   4   3   1   1  10   7   4   7
   3   8   7   4   7   3   5   4   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    54    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    49    54    55    59    60    39    40    43  
   40    43    44    47    48    51    41    59  
   43    44    47  
   42    45    46    49    50    54    59    60  
   45    46    49    59  
   44    47    48    51    52    53    56  
   47    48    51  
   46    49    50    54    55    59  
   49    50    54  
   48    51    52    53    56    57    58    61  
   51    52    53    56  
   50    54    55    59    60  
   54    55    59  
   52    53    56    57    58    61    62    76  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60  
   59    60  
   57    58    61    62    63    64    66    72    76  
   58    61    62    76  
   61    62    76  
   60  
    0  
   62    63    64    65    66    67    71    72    73    76  
   63    64    65    66    67    72    76  
   64    65    66    76  
   65    66    67    68    69    72    76  
   66    67    76  
   67    68    69    70    71    72    73    76  
   68    69    70    71    72    76    74  
   69    70    71    76  
   70    71    72    73    76    74    75  
   71    72    74  
   72    73    76    74    75  
   73    76    74    75  
   76    74  
   75    76  
    0  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.076700   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
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    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    48   434.000  1.010
   47    51   382.000  1.448
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   295.000  1.494
   61    62   520.000  1.370
   61    76   380.000  1.440
   62    63   367.000  1.080
   62    64   427.000  1.381
   64    65   434.000  1.010
   64    66   428.000  1.380
   66    67   469.000  1.400
   66    76   447.000  1.419
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.404
   74    75   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    54    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   59    38    41    63.00000  120.00000
   59    54    55    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    48    50.00000  121.48000
   43    47    51    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    56    80.00000  111.61500
   51    47    48    35.00000  112.50000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    70.00000  112.62400
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    55.00000  127.77900
   56    61    76    55.00000  128.73000
   58    56    57    33.00000  107.80000
   61    56    57    45.00000  111.11700
   61    56    58    45.00000  111.11700
   61    62    63    35.00000  130.70000
   61    62    64    70.00000  106.30000
   61    76    66    80.00000  107.43600
   61    76    72    50.00000  134.85500
   62    64    65    35.00000  120.00000
   62    64    66    90.00000  107.14200
   64    62    63    35.00000  121.60000
   64    66    67    70.00000  132.80000
   64    66    76    70.00000  104.40000
   66    64    65    35.00000  123.10000
   66    67    68    35.00000  120.00000
   66    67    69    85.00000  120.00000
   66    76    72    85.00000  116.20000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   76    61    62    80.00000  105.82900
   76    66    67    85.00000  122.70000
   76    72    73    35.00000  120.00000
   74    71    72    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   41    38    59    54   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45   -49    54   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    49    54    55   3.62500 -1.0 2.0
   45    49    54    59   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    54   3.62500 -1.0 2.0
   49    54   -59    38   3.62500 -1.0 2.0
   49    54    59    60   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   55    54    59    38   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    48   1.00000 -1.0 2.0
   39    43    47    51  -0.54700  1.0 1.0
   39    43    47    51   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    53   0.00000  1.0 1.0
   43    47    51    56   0.25450  1.0 1.0
   43    47    51    56  -0.61700 -1.0 2.0
   43    47    51    56  -0.23550  1.0 3.0
   44    43    47    48   1.00000 -1.0 2.0
   44    43    47    51   1.00000 -1.0 2.0
   47    51    56    57   0.22950  1.0 3.0
   47    51    56    58   0.22950  1.0 3.0
   47    51    56    61   0.08550  1.0 1.0
   47    51    56    61   1.07500 -1.0 2.0
   47    51    56    61  -0.10950  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    56   0.00000  1.0 1.0
   51    56    61    62   0.04150 -1.0 2.0
   51    56    61    76   0.04150 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.43200  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.43200  1.0 3.0
   56    61    62    63   3.62500 -1.0 2.0
   56    61    62    64   3.62500 -1.0 2.0
   56    61    76    66   3.62500 -1.0 2.0
   56    61    76    72   3.62500 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    76   0.00000  1.0 1.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    76   0.00000  1.0 1.0
   61    62    64    65   1.40000 -1.0 2.0
   61    62   -64    66   3.62500 -1.0 2.0
   62    61   -76    66   3.50000 -1.0 2.0
   62    61    76    72   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64   -66    76   3.62500 -1.0 2.0
   63    62    64    65   2.00000 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    69   3.62500 -1.0 2.0
   64    66   -76    61   3.00000 -1.0 2.0
   64    66    76    72   3.00000 -1.0 2.0
   65    64    66    67   1.52500 -1.0 2.0
   65    64    66    76   1.52500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    76    61   3.00000 -1.0 2.0
   67    66    76    72   3.00000 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    61   3.62500 -1.0 2.0
   71    72   -76    66   3.50000 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   73    72    76    61   3.62500 -1.0 2.0
   73    72    76    66   3.50000 -1.0 2.0
   76    61    62    63   3.62500 -1.0 2.0
   76    61   -62    64   3.62500 -1.0 2.0
   76    66    67    68   3.62500 -1.0 2.0
   76    66   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -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
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   54    50    49    45   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   54    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   48    43    47    51   1.00000 -1.0 2.0
   62    76    61    56   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   65    62    64    66   1.00000 -1.0 2.0
   67    76    66    64   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   66    72    76    61   4.00000 -1.0 2.0
END
