* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    238     449
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02130    89.00737   -70.74582
    3     1 S   H    _H1_     3     1.02046    91.55022    37.91376
    4     1 S   H    _H2_     4     1.02082    32.88500   161.20848
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.84662    97.39348   161.86066
   34    33 S   HC   _H3_    37     1.09677   105.14736   -41.80551
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.53850   109.81157  -160.01045
   39    38 S   HC   _H29    39     1.09046   110.73590   -48.72437
   40    33 S   CT   _C11    54     1.54456   108.42309    74.48513
   41    40 S   HC   _H31    55     1.09510   110.57557    48.47594
   42    38 S   CT   _C13    40     1.54726   111.68157  -170.92617
   43    40 S   OH   _O18    56     1.42813   106.99484   -67.79225
   44    43 S   HO   _H42    57     0.96961   106.41702   -63.00629
   45    38 S   CO4  _C4_    75     1.51105   109.70493    67.41366
   46    45 S   O    _O16    76     1.22753   123.42141    30.67937
   47    45 S   HC   _H21    77     1.10225   115.58730  -149.34268
   48    42 S   CT   _C14    41     1.58176   111.51189    55.74342
   49    42 S   CO4  _C5_    70     1.51143   109.74898  -179.52522
   50    49 S   O    _O17    71     1.22685   123.49110   120.00298
   51    49 S   HC   _H22    72     1.10374   115.60441   -59.96349
   52    42 S   OH   _O19    73     1.43167   107.55957   -66.18555
   53    52 S   HO   _H43    74     0.96830   106.13093   -56.70596
   54    48 S   CT   _C7_    42     1.55469   110.62220   179.94766
   55    54 S   HC   _H25    43     1.09793   109.94477    50.07108
   56    54 S   HC   _H26    44     1.09779   110.34620   -66.73220
   57    48 S   CT   _C16    66     1.55504   108.57429    61.95108
   58    57 S   HC   _H33    67     1.07919   108.39749   -60.18456
   59    57 S   HC   _H34    68     1.07960   108.41082   179.83807
   60    57 S   HC   _H35    69     1.07965   108.42077    59.82105
   61    54 S   CT   _C6_    45     1.52271   113.79237   171.41089
   62    61 S   HC   _H23    46     1.09453   111.52678    65.22127
   63    61 S   HC   _H24    47     1.09593   108.87510  -178.29406
   64    61 S   CT   _C8_    48     1.51870   110.72507   -58.55114
   65    64 S   HC   _H27    49     1.09749   108.76105  -179.48187
   66    64 S   HC   _H28    50     1.09901   107.81396   -65.04980
   67    64 S   CT   _C15    51     1.55152   114.62813    56.63952
   68    48 S   CT   _C10    52     1.58541   107.57720   -60.74668
   69    68 S   HC   _H30    53     1.10135   105.79405   -54.22283
   70    67 S   CT   _C17    58     1.55456   105.03385  -169.48955
   71    70 S   HC   _H36    59     1.08045   108.46455  -179.97202
   72    70 S   HC   _H37    60     1.08008   108.40890    60.03668
   73    70 S   HC   _H38    61     1.07985   108.47142   -59.97225
   74    67 S   CT   _C18    62     1.54139   109.88608    76.90983
   75    74 S   HC   _H39    63     1.08442   109.11745   179.97202
   76    74 S   HC   _H40    64     1.08442   109.11733    60.02026
   77    74 S   HC   _H41    65     1.08392   109.14616   -60.04176
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  17   8  14   6  20   5   1   5   1   1  21
   7   2   1   4   1  15   7   6   7   3   2   1   9   5   4  13
   5   4  10   9   2   7   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    68    40    41    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    67    68    69    40    41    43    44    49    52    45    46    47  
   38    39    42    68    40    41    43    45  
   36    37  
   37  
    0  
   39    42    48    54    68    40    41    43    57    49    50    51    52    53    45    46    47  
   42    48    40    49    52    45    46    47  
   41    43    44    70    74    57    45    42    48    54    64    67    68    69  
   43    44    48    67    68    69  
   48    54    55    56    61    67    68    69    57    58    59    60    49    50    51    52    53    45    46    47  
   44    48    67    68    69  
   68  
   46    47    48    49    52  
   47  
    0  
   54    55    56    61    62    63    64    67    68    69    70    74    57    58    59    60    49    50    51    52    53  
   50    51    52    53    54    57    68  
   51    52  
   52  
   53    54    57    68  
    0  
   55    56    61    62    63    64    65    66    67    68    69    57    58    59    60  
   56    61    62    63    64    68    57  
   61    62    63    64    68    57  
   58    59    60    61    67    68    69  
   59    60    68  
   60    68  
   68  
   62    63    64    65    66    67    68    70    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72    73    74    75    76    77  
   66    67    68    70    74  
   67    68    70    74  
   68    69    70    71    72    73    74    75    76    77  
   69    70    71    72    73    74    75    76    77  
   70    74  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   47   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    45   317.000  1.522
   42    48   268.000  1.529
   42    49   317.000  1.522
   42    52   320.000  1.410
   48    54   268.000  1.529
   48    68   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    74   268.000  1.529
   68    69   340.000  1.090
   68    40   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   570.000  1.229
   49    51   340.000  1.090
   52    53   553.000  0.945
   45    46   570.000  1.229
   45    47   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    45    63.00000  111.10000
   33    40    68    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    48    58.35000  112.70000
   38    42    49    63.00000  111.10000
   38    42    52    50.00000  109.50000
   38    45    46    80.00000  120.40000
   38    45    47    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    48    54    58.35000  112.70000
   42    48    68    58.35000  112.70000
   42    48    57    58.35000  112.70000
   42    49    50    80.00000  120.40000
   42    49    51    35.00000  115.00000
   42    52    53    55.00000  108.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    61    58.35000  112.70000
   48    68    67    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    40    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    70    58.35000  112.70000
   64    67    74    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    40    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   68    48    54    58.35000  112.70000
   68    40    41    37.50000  110.70000
   68    40    43    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    68    69    37.50000  110.70000
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   70    67    68    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
   74    67    68    58.35000  112.70000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    48    54    58.35000  112.70000
   57    48    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    42    48    63.00000  111.10000
   51    49    50    35.00000  123.00000
   52    42    48    50.00000  109.50000
   52    42    49    90.00000  109.61100
   45    38    39    35.00000  109.50000
   45    38    42    63.00000  111.10000
   47    45    46    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    68   0.44750  1.0 1.0
   29    33    40    68  -0.17800 -1.0 2.0
   29    33    40    68   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   33    38    42    49  -0.95700  1.0 1.0
   33    38    42    49  -0.18200 -1.0 2.0
   33    38    42    49   0.29450  1.0 3.0
   33    38    42    52   0.86500  1.0 1.0
   33    38    42    52  -0.17500 -1.0 2.0
   33    38    42    52   0.20800  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    47   0.74550  1.0 1.0
   33    38    45    47  -0.00500 -1.0 2.0
   33    40    43    44  -0.11600  1.0 1.0
   33    40    43    44  -0.09450 -1.0 2.0
   33    40    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    45  -0.11250  1.0 3.0
   34    33    40    68   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    68   0.56750  1.0 1.0
   38    33    40    68  -0.07550 -1.0 2.0
   38    33    40    68   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.86500  1.0 1.0
   38    33    40    43  -0.17500 -1.0 2.0
   38    33    40    43   0.20800  1.0 3.0
   38    42    48    54   0.56750  1.0 1.0
   38    42    48    54  -0.07550 -1.0 2.0
   38    42    48    54   0.20000  1.0 3.0
   38    42   -48    68   0.56750  1.0 1.0
   38    42   -48    68  -0.07550 -1.0 2.0
   38    42   -48    68   0.20000  1.0 3.0
   38    42    48    57   0.56750  1.0 1.0
   38    42    48    57  -0.07550 -1.0 2.0
   38    42    48    57   0.20000  1.0 3.0
   38    42    49    50   0.30150 -1.0 2.0
   38    42    49    51   0.74550  1.0 1.0
   38    42    49    51  -0.00500 -1.0 2.0
   38    42    52    53  -0.11600  1.0 1.0
   38    42    52    53  -0.09450 -1.0 2.0
   38    42    52    53   0.21250  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49  -0.11250  1.0 3.0
   39    38    42    52   0.23400  1.0 3.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    47   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    47   0.74550  1.0 1.0
   42    38    45    47  -0.00500 -1.0 2.0
   42    48    54    55   0.15000  1.0 3.0
   42    48    54    56   0.15000  1.0 3.0
   42    48    54    61   0.56750  1.0 1.0
   42    48    54    61  -0.07550 -1.0 2.0
   42    48    54    61   0.20000  1.0 3.0
   42    48    68    67   0.56750  1.0 1.0
   42    48    68    67  -0.07550 -1.0 2.0
   42    48    68    67   0.20000  1.0 3.0
   42    48    68    69   0.15000  1.0 3.0
   42    48    68    40   0.56750  1.0 1.0
   42    48    68    40  -0.07550 -1.0 2.0
   42    48    68    40   0.20000  1.0 3.0
   42    48    57    58   0.15000  1.0 3.0
   42    48    57    59   0.15000  1.0 3.0
   42    48    57    60   0.15000  1.0 3.0
   48    42    49    50   0.30150 -1.0 2.0
   48    42    49    51   0.74550  1.0 1.0
   48    42    49    51  -0.00500 -1.0 2.0
   48    42    52    53  -0.11600  1.0 1.0
   48    42    52    53  -0.09450 -1.0 2.0
   48    42    52    53   0.21250  1.0 3.0
   48    54    61    62   0.15000  1.0 3.0
   48    54    61    63   0.15000  1.0 3.0
   48    54    61    64   0.56750  1.0 1.0
   48    54    61    64  -0.07550 -1.0 2.0
   48    54    61    64   0.20000  1.0 3.0
   48    68   -40    33   0.56750  1.0 1.0
   48    68   -40    33  -0.07550 -1.0 2.0
   48    68   -40    33   0.20000  1.0 3.0
   48    68    40    41   0.15000  1.0 3.0
   48    68    40    43   0.86500  1.0 1.0
   48    68    40    43  -0.17500 -1.0 2.0
   48    68    40    43   0.20800  1.0 3.0
   54    48    68    67   0.56750  1.0 1.0
   54    48    68    67  -0.07550 -1.0 2.0
   54    48    68    67   0.20000  1.0 3.0
   54    48    68    69   0.15000  1.0 3.0
   54    48    68    40   0.56750  1.0 1.0
   54    48    68    40  -0.07550 -1.0 2.0
   54    48    68    40   0.20000  1.0 3.0
   54    48    57    58   0.15000  1.0 3.0
   54    48    57    59   0.15000  1.0 3.0
   54    48    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.15000  1.0 3.0
   54    61   -64    67   0.56750  1.0 1.0
   54    61   -64    67  -0.07550 -1.0 2.0
   54    61   -64    67   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    67    68   0.56750  1.0 1.0
   61    64    67    68  -0.07550 -1.0 2.0
   61    64    67    68   0.20000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    64    67    74   0.56750  1.0 1.0
   61    64    67    74  -0.07550 -1.0 2.0
   61    64    67    74   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67   -68    48   0.56750  1.0 1.0
   64    67   -68    48  -0.07550 -1.0 2.0
   64    67   -68    48   0.20000  1.0 3.0
   64    67    68    69   0.15000  1.0 3.0
   64    67    68    40   0.56750  1.0 1.0
   64    67    68    40  -0.07550 -1.0 2.0
   64    67    68    40   0.20000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    77   0.15000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    74   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   66    64    67    74   0.15000  1.0 3.0
   67    68    40    33   0.56750  1.0 1.0
   67    68    40    33  -0.07550 -1.0 2.0
   67    68    40    33   0.20000  1.0 3.0
   67    68    40    41   0.15000  1.0 3.0
   67    68    40    43   0.86500  1.0 1.0
   67    68    40    43  -0.17500 -1.0 2.0
   67    68    40    43   0.20800  1.0 3.0
   68    48    54    55   0.15000  1.0 3.0
   68    48    54    56   0.15000  1.0 3.0
   68    48   -54    61   0.56750  1.0 1.0
   68    48   -54    61  -0.07550 -1.0 2.0
   68    48   -54    61   0.20000  1.0 3.0
   68    48    57    58   0.15000  1.0 3.0
   68    48    57    59   0.15000  1.0 3.0
   68    48    57    60   0.15000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   68    40    43    44  -0.11600  1.0 1.0
   68    40    43    44  -0.09450 -1.0 2.0
   68    40    43    44   0.21250  1.0 3.0
   69    68    40    33   0.15000  1.0 3.0
   69    68    40    41   0.15000  1.0 3.0
   69    68    40    43   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   70    67    68    48   0.56750  1.0 1.0
   70    67    68    48  -0.07550 -1.0 2.0
   70    67    68    48   0.20000  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    40   0.56750  1.0 1.0
   70    67    68    40  -0.07550 -1.0 2.0
   70    67    68    40   0.20000  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    68    48   0.56750  1.0 1.0
   74    67    68    48  -0.07550 -1.0 2.0
   74    67    68    48   0.20000  1.0 3.0
   74    67    68    69   0.15000  1.0 3.0
   74    67    68    40   0.56750  1.0 1.0
   74    67    68    40  -0.07550 -1.0 2.0
   74    67    68    40   0.20000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    61   0.56750  1.0 1.0
   57    48    54    61  -0.07550 -1.0 2.0
   57    48    54    61   0.20000  1.0 3.0
   57    48    68    67   0.56750  1.0 1.0
   57    48    68    67  -0.07550 -1.0 2.0
   57    48    68    67   0.20000  1.0 3.0
   57    48    68    69   0.15000  1.0 3.0
   57    48    68    40   0.56750  1.0 1.0
   57    48    68    40  -0.07550 -1.0 2.0
   57    48    68    40   0.20000  1.0 3.0
   49    42    48    54  -0.95700  1.0 1.0
   49    42    48    54  -0.18200 -1.0 2.0
   49    42    48    54   0.29450  1.0 3.0
   49    42    48    68  -0.95700  1.0 1.0
   49    42    48    68  -0.18200 -1.0 2.0
   49    42    48    68   0.29450  1.0 3.0
   49    42    48    57  -0.95700  1.0 1.0
   49    42    48    57  -0.18200 -1.0 2.0
   49    42    48    57   0.29450  1.0 3.0
   49    42    52    53   0.91850  1.0 1.0
   49    42    52    53   0.57950  1.0 3.0
   52    42    48    54   0.86500  1.0 1.0
   52    42    48    54  -0.17500 -1.0 2.0
   52    42    48    54   0.20800  1.0 3.0
   52    42    48    68   0.86500  1.0 1.0
   52    42    48    68  -0.17500 -1.0 2.0
   52    42    48    68   0.20800  1.0 3.0
   52    42    48    57   0.86500  1.0 1.0
   52    42    48    57  -0.17500 -1.0 2.0
   52    42    48    57   0.20800  1.0 3.0
   52    42    49    50   0.30150 -1.0 2.0
   52    42    49    51   0.00000  1.0 1.0
   45    38    42    48  -0.95700  1.0 1.0
   45    38    42    48  -0.18200 -1.0 2.0
   45    38    42    48   0.29450  1.0 3.0
   45    38    42    49   0.11950  1.0 1.0
   45    38    42    49   0.20300 -1.0 2.0
   45    38    42    49  -0.70800  1.0 3.0
   45    38    42    52  -0.09450  1.0 1.0
   45    38    42    52  -1.12950 -1.0 2.0
   45    38    42    52   0.54000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   42    51    49    50  10.50000 -1.0 2.0
   38    47    45    46  10.50000 -1.0 2.0
END
