* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    141    239     421
    1     0 S   NP   _N1_     1    28.72438    95.32368   -20.09618
    2     1 S   H    _HN1     2     1.02963    88.64679    35.02688
    3     1 S   H    _H1_     3     1.02834    35.50367   157.57703
    4     1 S   H    _H2_     4     1.02776    86.00022   -73.45218
    5     1 S   CT   _CA1     5     1.50137   146.21722   161.22890
    6     5 S   HC   _HA1     6     1.09586   105.18038    56.81509
    7     5 S   CO3  _C1_     7     1.53707   112.34436   -63.16833
    8     7 S   O2Z  _O11     8     1.26331   114.97063   -44.80644
    9     7 S   O2Z  _O12     9     1.26255   114.84584   134.17092
   10     5 S   CT   _CB1    10     1.53076   107.38398   174.48466
   11    10 S   HC   HB11    11     1.09818   109.00321   -52.42436
   12    10 S   HC   HB12    12     1.09818   110.53255    64.00409
   13    10 S   CT   _CG1    13     1.53019   112.80509  -173.68866
   14    13 S   HC   HG11    14     1.09575   110.27803   -67.23565
   15    13 S   HC   HG12    15     1.09654   110.07914    51.92968
   16    13 S   C    _CD1    16     1.51870   112.33176   171.93640
   17    16 S   O    _OE1    17     1.22732   123.20886    -6.18805
   18    16 S   N    _N2_    18     1.38625   111.71751   174.72872
   19    18 S   H    _HN2    19     1.01576   119.02539    -0.25334
   20    18 S   CT1  _CA2    20     1.46321   123.40617   178.91195
   21    20 S   HC   _HA2    21     1.09743   109.32491   -11.95561
   22    20 S   C    _C2_    22     1.53468   108.22038  -127.39188
   23    22 S   O    _O2_    23     1.23008   122.30777  -146.22813
   24    20 S   CT   _CB2    32     1.53410   111.57876   110.22476
   25    24 S   HC   HB21    33     1.09570   109.66599    54.12690
   26    24 S   HC   HB22    34     1.09438   110.44231   173.11046
   27    22 S   N    _N3_    24     1.38538   113.35236    41.21880
   28    27 S   H    _HN3    25     1.01521   118.88633    -0.70276
   29    24 S   S    _SG2    35     1.82700   111.43368   -66.95626
   30    27 S   CT   _CA3    26     1.45447   123.49998   174.92889
   31    30 S   HC   HA31    27     1.09519   109.29891    23.39731
   32    30 S   HC   HA32    28     1.09496   107.11523   140.42928
   33    29 S   CT   _C22    36     1.87096    99.57900   164.67541
   34    33 S   HC   _H3_    37     1.09796   106.34265   -37.89274
   35    30 S   CO3  _C3_    29     1.52923   113.03916  -100.10601
   36    35 S   O2Z  _O31    30     1.26407   115.37810   -44.71619
   37    35 S   O2Z  _O32    31     1.26348   114.99508   136.18258
   38    33 S   CA   _C19    38     1.53793   107.98133  -153.06562
   39    38 S   CA   _C20    39     1.44336   120.31367    72.28508
   40    38 S   CA   _C18    65     1.41519   119.95522  -106.33668
   41    39 S   CA   _C21    40     1.41628   124.87410     3.18617
   42    41 S   HA   _H16    41     1.08851   119.50007     0.95961
   43    40 S   CT   _C25    66     1.51508   122.57942    -7.44123
   44    43 S   HC   _H6_    67     1.09795   106.25117   -99.92988
   45    41 S   CA   _C12    42     1.40854   123.49794  -179.18531
   46    43 S   CT   _C24    68     1.53703   114.85323    20.14391
   47    46 S   HC   _H5_    69     1.09916   108.53043  -166.90773
   48    43 S   OH   _O33    75     1.43111   110.73626   144.96051
   49    48 S   HO   _H17    76     0.97187   107.45428  -169.63883
   50    45 S   CA   _C11    43     1.39800   119.61379   179.78420
   51    50 S   HA   _H12    44     1.08835   120.69830    -0.10468
   52    45 S   CA   _C13    57     1.40984   120.48008    -0.18975
   53    33 S   CT   _C23    70     1.56732   110.27178    78.94698
   54    53 S   OM   _O35    71     1.32787   108.54153  -158.04609
   55    53 S   HC   _H4_    72     1.09976   106.61063   -31.85259
   56    46 S   OH   _O34    73     1.43377   108.72620    79.64656
   57    56 S   HO   _H18    74     0.97195   107.45396  -175.30973
   58    50 S   CA   _C10    45     1.39049   120.95259  -179.81655
   59    58 S   HA   _H11    46     1.08839   118.51847   179.50032
   60    52 S   CA   _C14    58     1.41453   116.16317    -0.48939
   61    60 S   HA   _H13    59     1.08872   119.40573  -179.51786
   62    58 S   CA   _C8_    47     1.39605   120.77510     0.21029
   63    39 S   CA   _C15    60     1.41010   119.23112  -176.97690
   64    62 S   CA   _C9_    48     1.40524   119.46274   179.46332
   65    64 S   HA   _H10    49     1.08852   120.46640    -0.22555
   66    63 S   CA   _C16    61     1.39694   119.82560    -1.17935
   67    66 S   HA   _H14    62     1.08829   120.72239  -179.37505
   68    64 S   CA   _C4_    50     1.39132   121.00925  -180.00000
   69    68 S   HA   _H7_    51     1.08575   120.16216   179.90109
   70    66 S   CA   _C17    63     1.39016   120.91530    -0.39466
   71    70 S   HA   _H15    64     1.08784   118.44136  -177.90688
   72    68 S   CA   _C5_    52     1.38624   119.54535     0.00000
   73    72 S   HA   _H8_    53     1.08621   120.09878   179.93439
   74    72 S   CA   _C6_    54     1.39783   119.98193     0.08393
   75    74 S   HA   _H9_    55     1.08667   116.71388   179.79442
   76    62 S   CA   _C7_    56     1.41866   119.85752    -0.36637
  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   9   5   4   3
  14   7   2   1   1  17  14  14  10   4  13   7  11   9   6   4
   1   8   4  11   4   2   1   1   1   7   3   8   3   8   5   7
   4   3   2   6   3   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    53    54    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    63    70    40    43    46    47    53    54    55    56  
   38    39    40    46    53    54    55  
   36    37  
   37  
    0  
   39    41    42    45    60    63    66    70    71    40    43    44    46    53    54    55    48  
   41    42    45    50    52    60    61    63    66    67    70    40    43    53  
   43    44    46    47    53    56    48    49    41    63    66    67    70    71  
   42    45    50    51    58    76    52    60    63    66  
   45    50    52    63  
   44    46    47    53    54    55    56    57    48    49    66    70    71  
   46    47    53    56    48    49    70  
   50    51    58    59    62    74    76    52    60    61    63  
   47    53    54    55    56    57    48    49    70  
   53    54    55    56    57    48  
   49    53    56    70  
    0  
   51    58    59    62    64    76    52    60  
   58    59    62    52  
   60    61    63    66    58    62    64    72    74    75    76  
   54    55    56    57  
   55    56  
   56  
   57  
    0  
   59    62    64    65    68    74    76  
   62    64    76  
   61    63    66    67    70    62    74    76  
   63    66    76  
   64    65    68    69    72    74    75    76  
   66    67    70    71    76  
   65    68    69    72    73    74    76  
   68    69    72    76  
   67    70    71  
   70    71  
   69    72    73    74    75    76  
   72    73    74  
   71  
    0  
   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   0.222500   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   55   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.000000   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    53   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   469.000  1.400
   39    63   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    64   469.000  1.400
   62    76   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    52   469.000  1.400
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    63   469.000  1.400
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    40   469.000  1.400
   40    43   317.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    56   320.000  1.410
   53    54   570.000  1.307
   53    55   340.000  1.090
   56    57   553.000  0.945
   48    49   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    53    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    53    46    58.35000  112.70000
   33    53    54    50.00000  109.50000
   33    53    55    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    41    63.00000  120.00000
   38    39    63    63.00000  120.00000
   38    40    70    63.00000  120.00000
   38    40    43    70.00000  120.00000
   39    41    42    35.00000  120.00000
   39    41    45    63.00000  120.00000
   39    63    60    63.00000  120.00000
   39    63    66    63.00000  120.00000
   41    45    50    63.00000  120.00000
   41    45    52    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    76    63.00000  120.00000
   45    52    60    63.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    62    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    62    64    63.00000  120.00000
   58    62    76    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    76    74    63.00000  120.00000
   62    76    52    63.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    52    63.00000  120.00000
   76    62    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    52    60    63.00000  120.00000
   52    45    50    63.00000  120.00000
   52    60    61    35.00000  120.00000
   52    60    63    63.00000  120.00000
   60    63    66    63.00000  120.00000
   63    39    41    63.00000  120.00000
   63    60    61    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    40    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    40    43    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    70    71    35.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    56    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    53    54    50.00000  109.50000
   46    53    55    37.50000  110.70000
   46    56    57    55.00000  108.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.17500
   53    46    47    37.50000  110.70000
   55    53    54    45.00000  125.66300
   56    46    47    35.00000  109.50000
   56    46    53    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    63   3.62500 -1.0 2.0
   33    38    40    70   3.62500 -1.0 2.0
   33    38    40    43   3.62500 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    53    46   0.15000  1.0 3.0
   34    33    53    54   0.23400  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   38    33    53    46  -0.03700  1.0 1.0
   38    33    53    46   0.37200 -1.0 2.0
   38    33    53    46  -0.47300  1.0 3.0
   38    33    53    54  -0.64350  1.0 1.0
   38    33    53    54  -0.04200 -1.0 2.0
   38    33    53    54   0.19800  1.0 3.0
   38    33    53    55   0.43200  1.0 3.0
   38    39    41    42   3.62500 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    63    60   3.62500 -1.0 2.0
   38    39    63    66   3.62500 -1.0 2.0
   38    40    43    44   0.00000  1.0 1.0
   38    40   -43    46   0.04150 -1.0 2.0
   38    40    43    48   0.14300 -1.0 2.0
   38    40    43    48   0.00300  1.0 3.0
   39    38    40    70   3.62500 -1.0 2.0
   39    38    40    43   3.62500 -1.0 2.0
   39    41    45    50   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    63    66    67   3.62500 -1.0 2.0
   39    63   -66    70   3.62500 -1.0 2.0
   41    39    63    60   3.62500 -1.0 2.0
   41    39    63    66   3.62500 -1.0 2.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    58   3.62500 -1.0 2.0
   41    45    52    76   3.62500 -1.0 2.0
   41    45   -52    60   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50    58    59   3.62500 -1.0 2.0
   45    50    58    62   3.62500 -1.0 2.0
   45    52    60    61   3.62500 -1.0 2.0
   45    52    60    63   3.62500 -1.0 2.0
   50    45    52    76   3.62500 -1.0 2.0
   50    45    52    60   3.62500 -1.0 2.0
   50    58    62    64   3.62500 -1.0 2.0
   50    58   -62    76   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    62   3.62500 -1.0 2.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    76    74   3.62500 -1.0 2.0
   58    62    76    52   3.62500 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   59    58    62    76   3.62500 -1.0 2.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    72   3.62500 -1.0 2.0
   62    76   -52    45   3.62500 -1.0 2.0
   62    76    52    60   3.62500 -1.0 2.0
   64    62    76    74   3.62500 -1.0 2.0
   64    62    76    52   3.62500 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68   -72    74   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    72   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74   -76    62   3.62500 -1.0 2.0
   72    74    76    52   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    52    45   3.62500 -1.0 2.0
   74    76    52    60   3.62500 -1.0 2.0
   75    74    76    62   3.62500 -1.0 2.0
   75    74    76    52   3.62500 -1.0 2.0
   76    62    64    65   3.62500 -1.0 2.0
   76    62   -64    68   3.62500 -1.0 2.0
   76    52    60    61   3.62500 -1.0 2.0
   76    52    60    63   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45   -50    58   3.62500 -1.0 2.0
   52    60   -63    39   3.62500 -1.0 2.0
   52    60    63    66   3.62500 -1.0 2.0
   60    63    66    67   3.62500 -1.0 2.0
   60    63    66    70   3.62500 -1.0 2.0
   61    60    63    39   3.62500 -1.0 2.0
   61    60    63    66   3.62500 -1.0 2.0
   63    39    41    42   3.62500 -1.0 2.0
   63    39   -41    45   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    40   3.62500 -1.0 2.0
   66    70   -40    38   3.62500 -1.0 2.0
   66    70    40    43   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    40   3.62500 -1.0 2.0
   70    40    43    44   0.00000  1.0 1.0
   70    40    43    46   0.04150 -1.0 2.0
   70    40    43    48   0.14300 -1.0 2.0
   70    40    43    48   0.00300  1.0 3.0
   71    70    40    38   3.62500 -1.0 2.0
   71    70    40    43   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38   -39    63   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    53  -0.03700  1.0 1.0
   40    43    46    53   0.37200 -1.0 2.0
   40    43    46    53  -0.47300  1.0 3.0
   40    43    46    56   1.13150  1.0 1.0
   40    43    46    56  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   43    46   -53    33   0.56750  1.0 1.0
   43    46   -53    33  -0.07550 -1.0 2.0
   43    46   -53    33   0.20000  1.0 3.0
   43    46    53    54   0.62750  1.0 1.0
   43    46    53    54  -0.30950 -1.0 2.0
   43    46    53    54   0.27300  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    56    57  -0.11600  1.0 1.0
   43    46    56    57  -0.09450 -1.0 2.0
   43    46    56    57   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.15000  1.0 3.0
   44    43    46    56   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   47    46    53    33   0.15000  1.0 3.0
   47    46    53    54   0.23400  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    56    57   0.19450  1.0 3.0
   53    33    38    39   0.04150 -1.0 2.0
   53    33   -38    40   0.04150 -1.0 2.0
   53    46    56    57  -0.11600  1.0 1.0
   53    46    56    57  -0.09450 -1.0 2.0
   53    46    56    57   0.21250  1.0 3.0
   56    46    53    33   0.86500  1.0 1.0
   56    46    53    33  -0.17500 -1.0 2.0
   56    46    53    33   0.20800  1.0 3.0
   56    46    53    54   3.69350  1.0 1.0
   56    46    53    54  -1.82950 -1.0 2.0
   56    46    53    55   0.23400  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.86500  1.0 1.0
   48    43    46    53  -0.17500 -1.0 2.0
   48    43    46    53   0.20800  1.0 3.0
   48    43    46    56   3.75450  1.0 1.0
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
   39    40    38    33   4.00000 -1.0 2.0
   41    63    39    38   4.00000 -1.0 2.0
   45    42    41    39   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   62    59    58    50   1.10000 -1.0 2.0
   64    76    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    52    76    62   4.00000 -1.0 2.0
   76    60    52    45   4.00000 -1.0 2.0
   63    61    60    52   1.10000 -1.0 2.0
   60    66    63    39   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   40    71    70    66   1.10000 -1.0 2.0
   70    43    40    38   4.00000 -1.0 2.0
END
