* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    239     447
    1     0 S   NP   _N1_     1    28.71436    95.95385   -23.26958
    2     1 S   H    _HN1     2     1.02787   105.00481   -95.07986
    3     1 S   H    _H1_     3     1.02948    75.86829    10.52243
    4     1 S   H    _H2_     4     1.02828    34.43794   165.04792
    5     1 S   CT   _CA1     5     1.50117   137.05029   115.42406
    6     5 S   HC   _HA1     6     1.09573   105.18323    86.69460
    7     5 S   CO3  _C1_     7     1.53779   112.46608   -33.53135
    8     7 S   O2Z  _O11     8     1.26374   115.00308   -42.40583
    9     7 S   O2Z  _O12     9     1.26237   114.94335   136.68105
   10     5 S   CT   _CB1    10     1.53071   107.41490  -155.32338
   11    10 S   HC   HB11    11     1.09836   109.35304   -49.57569
   12    10 S   HC   HB12    12     1.09812   110.45872    67.02631
   13    10 S   CT   _CG1    13     1.53001   112.62199  -170.53780
   14    13 S   HC   HG11    14     1.09577   110.67021   -66.34321
   15    13 S   HC   HG12    15     1.09671   109.75358    52.89997
   16    13 S   C    _CD1    16     1.51802   112.14008   173.35914
   17    16 S   O    _OE1    17     1.22741   123.25364     9.02005
   18    16 S   N    _N2_    18     1.38660   111.73667  -171.09303
   19    18 S   H    _HN2    19     1.01580   118.96257     1.46099
   20    18 S   CT1  _CA2    20     1.46176   123.32963   176.97729
   21    20 S   HC   _HA2    21     1.09748   109.33893     3.88156
   22    20 S   C    _C2_    22     1.53595   108.70009  -111.54438
   23    22 S   O    _O2_    23     1.23067   122.25243  -148.34046
   24    20 S   CT   _CB2    32     1.53462   111.77406   125.83754
   25    24 S   HC   HB21    33     1.09567   109.75744    55.99262
   26    24 S   HC   HB22    34     1.09265   109.54859   174.69807
   27    22 S   N    _N3_    24     1.38313   113.75447    39.12646
   28    27 S   H    _HN3    25     1.01574   119.60337    -3.29378
   29    24 S   S    _SG2    35     1.82930   111.17445   -63.96345
   30    27 S   CT   _CA3    26     1.45286   123.24309   177.14343
   31    30 S   HC   HA31    27     1.09548   107.51193   -64.65225
   32    30 S   HC   HA32    28     1.09556   107.98917    51.79495
   33    29 S   CT   _C14    36     1.91940   103.41275  -160.87518
   34    30 S   CO3  _C3_    29     1.52968   114.05943   173.79483
   35    34 S   O2Z  _O31    30     1.26379   116.06900    -0.51320
   36    34 S   O2Z  _O32    31     1.26427   114.41486   179.54500
   37    33 S   CT   _C15    37     1.53017   108.88389   -40.90345
   38    37 S   HC   _H18    38     1.09057   115.56847    50.57021
   39    37 S   HC   _H19    39     1.09395   113.95095   174.73337
   40    33 S   CT   _C5_    53     1.59292   112.02470    94.92060
   41    37 S   OS   _O33    40     1.44866   104.17482   -70.11791
   42    40 S   CT   _C6_    54     1.55161   112.38482   -57.28279
   43    42 S   HC   _H8_    55     1.09377   110.68177    52.48027
   44    42 S   HC   _H9_    56     1.09688   110.15912   -65.16958
   45    40 S   CT   _C4_    72     1.55615   109.39248  -175.76229
   46    45 S   HC   _H5_    73     1.09185   113.26585   -66.25487
   47    45 S   HC   _H6_    74     1.08747   113.36288   172.57355
   48    45 S   HC   _H7_    75     1.09406   111.31038    55.54443
   49    41 S   CO4  _C16    41     1.37934   108.94602   -25.97591
   50    49 S   O    _O34    42     1.21860   125.32116   180.00000
   51    42 S   CT   _C7_    57     1.52927   113.74086   171.67709
   52    51 S   HC   _H10    58     1.09365   111.53310    66.85775
   53    51 S   HC   _H11    59     1.09713   108.64599  -177.07725
   54    33 S   CT   _C13    43     1.54254   108.20830  -145.20310
   55    54 S   HC   _H4_    44     1.09923   110.90138   179.02401
   56    51 S   CT   _C8_    60     1.52471   111.49057   -57.29579
   57    56 S   HC   _H12    61     1.09764   108.95058   179.38515
   58    56 S   HC   _H13    62     1.09902   107.63754   -66.25168
   59    54 S   CT   _C12    45     1.51432   114.24561   -60.58437
   60    59 S   HC   _H16    46     1.09690   109.83370  -177.20880
   61    59 S   HC   _H17    47     1.09511   112.06055    65.91420
   62    74 S   CT   _C9_    63     1.57563   114.37698   171.40947
   63    59 S   CT   _C11    48     1.53835   109.73686   -57.02012
   64    63 S   HC   _H14    49     1.09452   107.39795   174.24340
   65    63 S   HC   _H15    50     1.09544   108.69304   -71.07368
   66    62 S   CT   _C17    64     1.54046   114.89330    55.88395
   67    66 S   HC   _H20    65     1.09407   111.89563   -51.46221
   68    66 S   HC   _H21    66     1.09744   110.49307  -170.19651
   69    66 S   HC   _H22    67     1.08832   113.53028    71.43938
   70    62 S   CT   _C18    68     1.55416   109.39036   -62.88944
   71    70 S   HC   _H23    69     1.09461   111.95126    69.48723
   72    70 S   HC   _H24    70     1.09577   111.45293   -51.57413
   73    70 S   HC   _H25    71     1.09672   111.00536  -171.09071
   74    63 S   CT   _C10    51     1.55461   113.42479    51.69509
   75    74 S   HC   _H3_    52     1.09893   104.20446    60.30713
  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  13   5   4   3
  24   2   1   1  12   5   4  24   5  17   7   6   9   3   2   1
   7   3   9   5   4   8   4  14   5   4   8   5   4  13   6   3
   2   9   4   3   2   5   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    54    55    59    74    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    49    50    54    55    59    60    61    63    74    75    40    42    43    44    51    62    45    46    47    48  
   35    36  
   36  
    0  
   38    39    41    49    50    54    55    59    74    40    42    45  
   39    41    49    54    40  
   41    49    54    40  
   42    43    44    51    52    53    56    62    66    70    45    46    47    48    41    49    54    55    59    63    64    65    74    75  
   49    50    54    55    59  
   43    44    51    52    53    56    57    58    62    45    46    47    48    54    63    74    75  
   44    51    52    53    56    45    74  
   51    52    53    56    45    74  
   46    47    48    51    54    62    63    74    75  
   47    48    74  
   48    74  
   74  
   50    54    55    59    60    61    63  
   54    55    59  
   52    53    56    57    58    62    66    70    74  
   53    56    57    58    62  
   56    57    58    62  
   55    59    60    61    63    64    65    74  
   59    60    61    63  
   57    58    62    66    67    68    69    70    71    72    73    63    74    75  
   58    62    66    70    74  
   62    66    70    74  
   60    61    63    64    65    74    75    62  
   61    63    64    65    74  
   63    64    65    74  
   66    67    68    69    70    71    72    73    63    64    65    74    75  
   64    65    74    75    66    70  
   65    74    75  
   74    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    74  
   69    70    74  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   320.000  1.410
   41    49   214.000  1.327
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    74   268.000  1.529
   74    75   340.000  1.090
   74    40   268.000  1.529
   74    62   268.000  1.529
   40    42   268.000  1.529
   40    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   268.000  1.529
   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    62   268.000  1.529
   62    66   268.000  1.529
   62    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    50.00000  109.50000
   33    54    49    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    59    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    45    58.35000  112.70000
   37    41    49    83.00000  116.90000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    49    50    83.00000  123.40000
   41    49    54    81.00000  111.40000
   49    54    55    35.00000  109.50000
   49    54    59    63.00000  111.10000
   54    33    37    58.35000  112.70000
   54    49    50    80.00000  120.40000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    74    75    37.50000  110.70000
   63    74    40    58.35000  112.70000
   63    74    62    58.35000  112.70000
   65    63    64    33.00000  107.80000
   74    63    64    37.50000  110.70000
   74    63    65    37.50000  110.70000
   74    40    42    58.35000  112.70000
   74    40    45    58.35000  112.70000
   74    62    56    58.35000  112.70000
   74    62    66    58.35000  112.70000
   74    62    70    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    51    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    56    58.35000  112.70000
   44    42    43    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    44    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    66    58.35000  112.70000
   56    62    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    74    75    37.50000  110.70000
   62    74    40    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    40    42    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.44750  1.0 1.0
   29    33    54    59  -0.17800 -1.0 2.0
   29    33    54    59   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    37   -41    49  -0.25900  1.0 1.0
   33    37   -41    49  -0.47000 -1.0 2.0
   33    37   -41    49   0.11750  1.0 3.0
   33    54    59    60   0.15000  1.0 3.0
   33    54    59    61   0.15000  1.0 3.0
   33    54    59    63   0.56750  1.0 1.0
   33    54    59    63  -0.07550 -1.0 2.0
   33    54    59    63   0.20000  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    51   0.56750  1.0 1.0
   33    40    42    51  -0.07550 -1.0 2.0
   33    40    42    51   0.20000  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   37    33   -54    49  -0.95700  1.0 1.0
   37    33   -54    49  -0.18200 -1.0 2.0
   37    33   -54    49   0.29450  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59   0.56750  1.0 1.0
   37    33    54    59  -0.07550 -1.0 2.0
   37    33    54    59   0.20000  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    42   0.56750  1.0 1.0
   37    33    40    42  -0.07550 -1.0 2.0
   37    33    40    42   0.20000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    41    49    50   3.00000 -1.0 2.0
   37    41   -49    54   1.63150  1.0 1.0
   37    41   -49    54   2.92000 -1.0 2.0
   38    37    41    49   0.08050  1.0 3.0
   39    37    41    49   0.08050  1.0 3.0
   41    49   -54    33   0.36750  1.0 3.0
   41    49    54    55   0.00000  1.0 1.0
   41    49    54    59   0.36750  1.0 3.0
   49    54    59    60  -0.11250  1.0 3.0
   49    54    59    61  -0.11250  1.0 3.0
   49    54    59    63  -0.95700  1.0 1.0
   49    54    59    63  -0.18200 -1.0 2.0
   49    54    59    63   0.29450  1.0 3.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    59   0.30150 -1.0 2.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    41   0.62750  1.0 1.0
   54    33   -37    41  -0.30950 -1.0 2.0
   54    33   -37    41   0.27300  1.0 3.0
   54    33    40    74   0.56750  1.0 1.0
   54    33    40    74  -0.07550 -1.0 2.0
   54    33    40    74   0.20000  1.0 3.0
   54    33    40    42   0.56750  1.0 1.0
   54    33    40    42  -0.07550 -1.0 2.0
   54    33    40    42   0.20000  1.0 3.0
   54    33    40    45   0.56750  1.0 1.0
   54    33    40    45  -0.07550 -1.0 2.0
   54    33    40    45   0.20000  1.0 3.0
   54    59    63    64   0.15000  1.0 3.0
   54    59    63    65   0.15000  1.0 3.0
   54    59   -63    74   0.56750  1.0 1.0
   54    59   -63    74  -0.07550 -1.0 2.0
   54    59   -63    74   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    63   0.15000  1.0 3.0
   59    63    74    75   0.15000  1.0 3.0
   59    63    74    40   0.56750  1.0 1.0
   59    63    74    40  -0.07550 -1.0 2.0
   59    63    74    40   0.20000  1.0 3.0
   59    63    74    62   0.56750  1.0 1.0
   59    63    74    62  -0.07550 -1.0 2.0
   59    63    74    62   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    74   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    74   0.15000  1.0 3.0
   63    74   -40    33   0.56750  1.0 1.0
   63    74   -40    33  -0.07550 -1.0 2.0
   63    74   -40    33   0.20000  1.0 3.0
   63    74    40    42   0.56750  1.0 1.0
   63    74    40    42  -0.07550 -1.0 2.0
   63    74    40    42   0.20000  1.0 3.0
   63    74    40    45   0.56750  1.0 1.0
   63    74    40    45  -0.07550 -1.0 2.0
   63    74    40    45   0.20000  1.0 3.0
   63    74    62    56   0.56750  1.0 1.0
   63    74    62    56  -0.07550 -1.0 2.0
   63    74    62    56   0.20000  1.0 3.0
   63    74    62    66   0.56750  1.0 1.0
   63    74    62    66  -0.07550 -1.0 2.0
   63    74    62    66   0.20000  1.0 3.0
   63    74    62    70   0.56750  1.0 1.0
   63    74    62    70  -0.07550 -1.0 2.0
   63    74    62    70   0.20000  1.0 3.0
   64    63    74    75   0.15000  1.0 3.0
   64    63    74    40   0.15000  1.0 3.0
   64    63    74    62   0.15000  1.0 3.0
   65    63    74    75   0.15000  1.0 3.0
   65    63    74    40   0.15000  1.0 3.0
   65    63    74    62   0.15000  1.0 3.0
   74    40    42    43   0.15000  1.0 3.0
   74    40    42    44   0.15000  1.0 3.0
   74    40    42    51   0.56750  1.0 1.0
   74    40    42    51  -0.07550 -1.0 2.0
   74    40    42    51   0.20000  1.0 3.0
   74    40    45    46   0.15000  1.0 3.0
   74    40    45    47   0.15000  1.0 3.0
   74    40    45    48   0.15000  1.0 3.0
   74    62    66    67   0.15000  1.0 3.0
   74    62    66    68   0.15000  1.0 3.0
   74    62    66    69   0.15000  1.0 3.0
   74    62    70    71   0.15000  1.0 3.0
   74    62    70    72   0.15000  1.0 3.0
   74    62    70    73   0.15000  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    42   0.15000  1.0 3.0
   75    74    40    45   0.15000  1.0 3.0
   75    74    62    56   0.15000  1.0 3.0
   75    74    62    66   0.15000  1.0 3.0
   75    74    62    70   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.62750  1.0 1.0
   40    33    37    41  -0.30950 -1.0 2.0
   40    33    37    41   0.27300  1.0 3.0
   40    33    54    49  -0.95700  1.0 1.0
   40    33    54    49  -0.18200 -1.0 2.0
   40    33    54    49   0.29450  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33   -54    59   0.56750  1.0 1.0
   40    33   -54    59  -0.07550 -1.0 2.0
   40    33   -54    59   0.20000  1.0 3.0
   40    74    62    56   0.56750  1.0 1.0
   40    74    62    56  -0.07550 -1.0 2.0
   40    74    62    56   0.20000  1.0 3.0
   40    74    62    66   0.56750  1.0 1.0
   40    74    62    66  -0.07550 -1.0 2.0
   40    74    62    66   0.20000  1.0 3.0
   40    74    62    70   0.56750  1.0 1.0
   40    74    62    70  -0.07550 -1.0 2.0
   40    74    62    70   0.20000  1.0 3.0
   40    42    51    52   0.15000  1.0 3.0
   40    42    51    53   0.15000  1.0 3.0
   40    42   -51    56   0.56750  1.0 1.0
   40    42   -51    56  -0.07550 -1.0 2.0
   40    42   -51    56   0.20000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   42    51    56    57   0.15000  1.0 3.0
   42    51    56    58   0.15000  1.0 3.0
   42    51    56    62   0.56750  1.0 1.0
   42    51    56    62  -0.07550 -1.0 2.0
   42    51    56    62   0.20000  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    53   0.15000  1.0 3.0
   43    42    51    56   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    53   0.15000  1.0 3.0
   44    42    51    56   0.15000  1.0 3.0
   51    56   -62    74   0.56750  1.0 1.0
   51    56   -62    74  -0.07550 -1.0 2.0
   51    56   -62    74   0.20000  1.0 3.0
   51    56    62    66   0.56750  1.0 1.0
   51    56    62    66  -0.07550 -1.0 2.0
   51    56    62    66   0.20000  1.0 3.0
   51    56    62    70   0.56750  1.0 1.0
   51    56    62    70  -0.07550 -1.0 2.0
   51    56    62    70   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  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    62   0.15000  1.0 3.0
   56    62    66    67   0.15000  1.0 3.0
   56    62    66    68   0.15000  1.0 3.0
   56    62    66    69   0.15000  1.0 3.0
   56    62    70    71   0.15000  1.0 3.0
   56    62    70    72   0.15000  1.0 3.0
   56    62    70    73   0.15000  1.0 3.0
   57    56    62    74   0.15000  1.0 3.0
   57    56    62    66   0.15000  1.0 3.0
   57    56    62    70   0.15000  1.0 3.0
   58    56    62    74   0.15000  1.0 3.0
   58    56    62    66   0.15000  1.0 3.0
   58    56    62    70   0.15000  1.0 3.0
   62    74    40    33   0.56750  1.0 1.0
   62    74    40    33  -0.07550 -1.0 2.0
   62    74    40    33   0.20000  1.0 3.0
   62    74   -40    42   0.56750  1.0 1.0
   62    74   -40    42  -0.07550 -1.0 2.0
   62    74   -40    42   0.20000  1.0 3.0
   62    74    40    45   0.56750  1.0 1.0
   62    74    40    45  -0.07550 -1.0 2.0
   62    74    40    45   0.20000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    51   0.56750  1.0 1.0
   45    40    42    51  -0.07550 -1.0 2.0
   45    40    42    51   0.20000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   41    54    49    50  10.50000 -1.0 2.0
END
