* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    164    264     481
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055   104.55313     5.28939
    3     1 S   H    _H1_     3     1.02077    44.73874   107.32902
    4     1 S   H    _H2_     4     1.02070    68.19700   -99.32691
    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     1.08519   110.56213    58.83396
   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   _C16    36     1.84381    97.49537  -178.12414
   34    33 S   HC   _H3_    37     1.10581   104.65127   -42.17645
   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   _C12    38     1.54035   113.22715  -160.00411
   39    38 S   HC   _H34    39     1.09764   107.33771   169.30819
   40    33 S   CT   _C14    55     1.54303   110.03703    74.56739
   41    40 S   HC   _H36    56     1.09996   108.94240   -45.56725
   42    38 S   CT   _C13    40     1.54079   113.46599   -69.68463
   43    42 S   HC   _H35    41     1.09769   109.37433    75.98543
   44    40 S   CT   _C20    57     1.53538   111.28435  -160.95424
   45    44 S   HC   _H45    58     1.09148   108.68352   179.07592
   46    44 S   HC   _H46    59     1.09042   108.66037   -63.57123
   47    38 S   C    _C5_    64     1.50537   110.82386    55.89598
   48    47 S   O    _O21    65     1.22509   119.55185   -94.72201
   49    42 S   CT   _C8_    42     1.53886   112.09518  -163.08443
   50    49 S   HC   _H27    43     1.09398   113.61417   -40.80856
   51    49 S   HC   _H28    44     1.09906   109.23281  -160.54606
   52    44 S   CT   _C18    60     1.48997   111.41686    57.73994
   53    52 S   HC   _H39    61     1.09671   109.34652   -59.43847
   54    52 S   HC   _H40    62     1.09541   111.05827  -178.58390
   55    52 S   HC   _H41    63     1.09512   111.07157    59.71702
   56    47 S   N    _N19    66     1.38210   113.98811    85.36305
   57    56 S   H    _H49    67     1.01533   118.47471    -0.06561
   58    49 S   CT   _C7_    45     1.52644   105.55322    82.05602
   59    58 S   HC   _H25    46     1.09232   111.70856   -87.00253
   60    58 S   HC   _H26    47     1.09169   111.62435   148.34474
   61    56 S   C3T  _C17    68     1.44602   123.09529   179.92087
   62    58 S   CO4  _C4_    48     1.50748   102.04931    29.56215
   63    62 S   O    _O20    49     1.22460   123.40886   171.04336
   64    61 S   C3T  _C10    69     1.50053   119.21970    83.75949
   65    64 S   HC   _H31    70     1.08418   118.68209     0.45542
   66    64 S   HC   _H32    71     1.08385   118.50426  -144.32527
   67    61 S   C    _C6_    81     1.47916   113.16316   -60.02449
   68    67 S   OC3  _O22    82     1.22200   125.05455   114.58970
   69    42 S   CT   _C11    50     1.53818   113.77206   -47.10798
   70    69 S   HC   _H33    51     1.09915   108.87858   161.44433
   71    61 S   C3T  _C15    72     1.50100   119.00104   153.61355
   72    71 S   HC   _H37    73     1.08243   118.79553    -1.76270
   73    67 S   OH   _O23    83     1.35552   110.70157   -65.27767
   74    73 S   HO   _H50    84     0.98149   111.96214   179.84934
   75    69 S   CT   _C9_    52     1.52494   116.56201    38.26142
   76    75 S   HC   _H29    53     1.09787   107.23087    82.60260
   77    75 S   HC   _H30    54     1.09693   110.39644  -163.25347
   78    71 S   CT   _C21    74     1.48424   120.89513   143.24780
   79    78 S   HC   _H47    75     1.10766   111.16764   -86.02158
   80    78 S   HC   _H48    76     1.10733   111.17985    31.45264
   81    78 S   CT   _C19    77     1.50964   113.15262   152.74418
   82    81 S   HC   _H42    78     1.09648   111.09921   -56.82326
   83    81 S   HC   _H43    79     1.09545   110.19556  -176.47452
   84    81 S   HC   _H44    80     1.09499   110.20568    62.91197
  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
  19   8   2   1   1  19   8  16   8  17   9  10   6   5   9   3
  10   6   5   4   2   1   1  11   4   7   4   3  13   6   3  11
   5   4   6   3   4   3   9   4   1   1   2   1   1   6   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    75    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    69    75    76    77    40    41    44    45    46    52    47    48    56  
   38    39    42    75    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    51    58    62    69    70    75    40    41    44    47    48    56    57    61  
   42    43    49    69    40    47    48    56  
   41    44    45    46    52    53    54    55    47    42    62    69    70    75    76    77  
   44    45    46    52    69    75    76    77  
   43    49    50    51    58    59    60    62    63    69    70    75    76    77    47    48    56  
   49    50    51    58    62    69    70    75    47  
   45    46    52    53    54    55    69    75    76    77  
   46    52    53    54    55    75  
   52    53    54    55    75  
   48    56    57    61    64    71    67    49    69  
   56    57    61  
   50    51    58    59    60    62    63    69    70    75  
   51    58    59    60    62    69  
   58    59    60    62    69  
   53    54    55    75  
   54    55  
   55  
    0  
   57    61    64    65    66    71    72    78    67    68    73  
   61    64    71    67  
   59    60    62    63    69    70    75  
   60    62    63    69  
   62    63    69  
   64    65    66    71    72    78    79    80    81    67    68    73    74  
   63    69    70    75    76    77  
   69    70    75  
   65    66    71    72    78    79    80    81    67    68    73  
   66    71    72    78    67  
   71    72    78    67  
   68    73    74    71    72    78  
   73    74    71  
   70    75    76    77  
   75    76    77  
   72    78    79    80    81    82    83    84    73  
   78    79    80    81  
   74  
    0  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   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    47   317.000  1.522
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    69   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   317.000  1.522
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   47    48   570.000  1.229
   47    56   490.000  1.335
   56    57   434.000  1.010
   56    61   330.000  1.419
   61    64   260.000  1.509
   61    71   260.000  1.509
   61    67   295.000  1.481
   64    65   340.000  1.088
   64    66   340.000  1.088
   64    71   260.000  1.509
   71    72   340.000  1.088
   71    78   275.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   67    68   570.000  1.229
   67    73   450.000  1.364
   73    74   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    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    47    63.00000  111.10000
   33    40    75    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    69    58.35000  112.70000
   38    47    48    80.00000  120.40000
   38    47    56    70.00000  116.60000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    69    62    63.00000  111.10000
   42    69    70    37.50000  110.70000
   42    69    75    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    62    63.00000  111.10000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    62    63    80.00000  120.40000
   58    62    69    70.00000  116.00000
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    69    70    35.00000  109.50000
   62    69    75    63.00000  111.10000
   69    42    43    37.50000  110.70000
   69    42    49    58.35000  112.70000
   69    62    63    80.00000  120.40000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    40    58.35000  112.70000
   75    69    70    37.50000  110.70000
   75    40    41    37.50000  110.70000
   75    40    44    58.35000  112.70000
   77    75    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    75    76    37.50000  110.70000
   40    75    77    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   46    44    45    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    42    63.00000  111.10000
   47    56    57    35.00000  119.80000
   47    56    61    70.00000  123.36000
   56    47    48    80.00000  122.90000
   56    61    64    70.00000  118.23000
   56    61    71    70.00000  118.23000
   56    61    67    75.00000  110.24000
   61    56    57    38.00000  118.40000
   61    64    65    37.50000  117.20000
   61    64    66    37.50000  117.20000
   61    64    71    10.00000   60.00500
   61    71    64    10.00000   60.00500
   61    71    72    37.50000  117.20000
   61    71    78    60.00000  120.94000
   61    67    68    80.00000  120.40000
   61    67    73    70.00000  108.00000
   64    71    72    37.50000  117.20000
   64    71    78    60.00000  120.94000
   66    64    65    35.00000  114.30000
   71    61    64    10.00000   60.00500
   71    64    65    37.50000  117.20000
   71    64    66    37.50000  117.20000
   71    78    79    45.00000  109.38400
   71    78    80    45.00000  109.38400
   71    78    81    70.00000  112.37300
   78    71    72    40.00000  115.04500
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   67    61    64    65.00000  116.19300
   67    61    71    65.00000  116.19300
   67    73    74    35.00000  113.00000
   73    67    68    80.00000  121.00000
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    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    69   0.56750  1.0 1.0
   33    38    42    69  -0.07550 -1.0 2.0
   33    38    42    69   0.20000  1.0 3.0
   33    38    47    48   0.30150 -1.0 2.0
   33    38    47    56   1.39750  1.0 1.0
   33    38    47    56  -0.07950 -1.0 2.0
   33    38    47    56  -0.18750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    52   0.56750  1.0 1.0
   33    40    44    52  -0.07550 -1.0 2.0
   33    40    44    52   0.20000  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    47  -0.11250  1.0 3.0
   34    33    40    75   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    75   0.56750  1.0 1.0
   38    33    40    75  -0.07550 -1.0 2.0
   38    33    40    75   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.56750  1.0 1.0
   38    42    49    58  -0.07550 -1.0 2.0
   38    42    49    58   0.20000  1.0 3.0
   38    42    69    62  -0.95700  1.0 1.0
   38    42    69    62  -0.18200 -1.0 2.0
   38    42    69    62   0.29450  1.0 3.0
   38    42    69    70   0.15000  1.0 3.0
   38    42   -69    75   0.56750  1.0 1.0
   38    42   -69    75  -0.07550 -1.0 2.0
   38    42   -69    75   0.20000  1.0 3.0
   38    47    56    57   2.45000 -1.0 2.0
   38    47    56    61   1.49850  1.0 1.0
   38    47    56    61   1.53950 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    69   0.15000  1.0 3.0
   39    38    47    48   0.00000  1.0 1.0
   39    38    47    56   0.00000  1.0 1.0
   42    38    47    48   0.30150 -1.0 2.0
   42    38    47    56   1.39750  1.0 1.0
   42    38    47    56  -0.07950 -1.0 2.0
   42    38    47    56  -0.18750  1.0 3.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    60   0.15000  1.0 3.0
   42    49   -58    62  -0.95700  1.0 1.0
   42    49   -58    62  -0.18200 -1.0 2.0
   42    49   -58    62   0.29450  1.0 3.0
   42    69    75    76   0.15000  1.0 3.0
   42    69    75    77   0.15000  1.0 3.0
   42    69    75    40   0.56750  1.0 1.0
   42    69    75    40  -0.07550 -1.0 2.0
   42    69    75    40   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    69    62  -0.11250  1.0 3.0
   43    42    69    70   0.15000  1.0 3.0
   43    42    69    75   0.15000  1.0 3.0
   49    42   -69    62  -0.95700  1.0 1.0
   49    42   -69    62  -0.18200 -1.0 2.0
   49    42   -69    62   0.29450  1.0 3.0
   49    42    69    70   0.15000  1.0 3.0
   49    42    69    75   0.56750  1.0 1.0
   49    42    69    75  -0.07550 -1.0 2.0
   49    42    69    75   0.20000  1.0 3.0
   49    58    62    63   0.30150 -1.0 2.0
   49    58   -62    69   0.60050  1.0 1.0
   49    58   -62    69   0.05600 -1.0 2.0
   49    58   -62    69   0.26150  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    62  -0.11250  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    62  -0.11250  1.0 3.0
   58    62   -69    42   0.60050  1.0 1.0
   58    62   -69    42   0.05600 -1.0 2.0
   58    62   -69    42   0.26150  1.0 3.0
   58    62    69    70   0.00000  1.0 1.0
   58    62    69    75   0.60050  1.0 1.0
   58    62    69    75   0.05600 -1.0 2.0
   58    62    69    75   0.26150  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    69   0.00000  1.0 1.0
   60    58    62    63   0.00000  1.0 1.0
   60    58    62    69   0.00000  1.0 1.0
   62    69    75    76  -0.11250  1.0 3.0
   62    69    75    77  -0.11250  1.0 3.0
   62    69    75    40  -0.95700  1.0 1.0
   62    69    75    40  -0.18200 -1.0 2.0
   62    69    75    40   0.29450  1.0 3.0
   63    62    69    42   0.30150 -1.0 2.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    75   0.30150 -1.0 2.0
   69    42    49    50   0.15000  1.0 3.0
   69    42    49    51   0.15000  1.0 3.0
   69    42   -49    58   0.56750  1.0 1.0
   69    42   -49    58  -0.07550 -1.0 2.0
   69    42   -49    58   0.20000  1.0 3.0
   69    75   -40    33   0.56750  1.0 1.0
   69    75   -40    33  -0.07550 -1.0 2.0
   69    75   -40    33   0.20000  1.0 3.0
   69    75    40    41   0.15000  1.0 3.0
   69    75    40    44   0.56750  1.0 1.0
   69    75    40    44  -0.07550 -1.0 2.0
   69    75    40    44   0.20000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    40   0.15000  1.0 3.0
   75    40    44    45   0.15000  1.0 3.0
   75    40    44    46   0.15000  1.0 3.0
   75    40    44    52   0.56750  1.0 1.0
   75    40    44    52  -0.07550 -1.0 2.0
   75    40    44    52   0.20000  1.0 3.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.15000  1.0 3.0
   76    75    40    44   0.15000  1.0 3.0
   77    75    40    33   0.15000  1.0 3.0
   77    75    40    41   0.15000  1.0 3.0
   77    75    40    44   0.15000  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    47  -0.95700  1.0 1.0
   40    33    38    47  -0.18200 -1.0 2.0
   40    33    38    47   0.29450  1.0 3.0
   40    44    52    53   0.15000  1.0 3.0
   40    44    52    54   0.15000  1.0 3.0
   40    44    52    55   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   46    44    52    53   0.15000  1.0 3.0
   46    44    52    54   0.15000  1.0 3.0
   46    44    52    55   0.15000  1.0 3.0
   47    38    42    43  -0.11250  1.0 3.0
   47    38    42    49  -0.95700  1.0 1.0
   47    38    42    49  -0.18200 -1.0 2.0
   47    38    42    49   0.29450  1.0 3.0
   47    38    42    69  -0.95700  1.0 1.0
   47    38    42    69  -0.18200 -1.0 2.0
   47    38    42    69   0.29450  1.0 3.0
   47    56    61    64   1.23350  1.0 1.0
   47    56    61    64   1.27900 -1.0 2.0
   47    56    61    71   1.23350  1.0 1.0
   47    56    61    71   1.27900 -1.0 2.0
   47    56    61    67  -0.42300  1.0 1.0
   47    56    61    67  -0.07000 -1.0 2.0
   47    56    61    67   0.04150  1.0 3.0
   48    47    56    57   2.45000 -1.0 2.0
   48    47    56    61   0.74200  1.0 1.0
   48    47    56    61   3.75300 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61   -64    71   0.43900  1.0 1.0
   56    61   -64    71   0.49100 -1.0 2.0
   56    61   -64    71   0.28400  1.0 3.0
   56    61   -71    64   0.43900  1.0 1.0
   56    61   -71    64   0.49100 -1.0 2.0
   56    61   -71    64   0.28400  1.0 3.0
   56    61    71    72   0.15000  1.0 3.0
   56    61    71    78   0.43900  1.0 1.0
   56    61    71    78   0.49100 -1.0 2.0
   56    61    71    78   0.28400  1.0 3.0
   56    61    67    68   0.30150 -1.0 2.0
   56    61    67    73   0.40000  1.0 3.0
   57    56    61    64   0.00000  1.0 1.0
   57    56    61    71   0.00000  1.0 1.0
   57    56    61    67   0.00000  1.0 1.0
   61    64   -71    72   0.15000  1.0 3.0
   61    64   -71    78   0.07850  1.0 1.0
   61    64   -71    78  -0.03950 -1.0 2.0
   61    64   -71    78   0.67350  1.0 3.0
   61    71    78    79   0.15000  1.0 3.0
   61    71    78    80   0.15000  1.0 3.0
   61    71    78    81   0.07850  1.0 1.0
   61    71    78    81  -0.03950 -1.0 2.0
   61    71    78    81   0.67350  1.0 3.0
   61    67    73    74   1.50000  1.0 1.0
   61    67    73    74   2.45000 -1.0 2.0
   64    61   -71    72   0.15000  1.0 3.0
   64    61   -71    78   0.07850  1.0 1.0
   64    61   -71    78  -0.03950 -1.0 2.0
   64    61   -71    78   0.67350  1.0 3.0
   64    61    67    68   0.27300 -1.0 2.0
   64    61    67    73   0.50000  1.0 1.0
   64    61    67    73   0.27300 -1.0 2.0
   64    61    67    73   0.22500  1.0 3.0
   64    71    78    79   0.15000  1.0 3.0
   64    71    78    80   0.15000  1.0 3.0
   64    71    78    81   0.07850  1.0 1.0
   64    71    78    81  -0.03950 -1.0 2.0
   64    71    78    81   0.67350  1.0 3.0
   65    64   -71    61   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    78   0.15000  1.0 3.0
   66    64   -71    61   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    78   0.15000  1.0 3.0
   71    61   -64    65   0.15000  1.0 3.0
   71    61   -64    66   0.15000  1.0 3.0
   71    61    67    68   0.27300 -1.0 2.0
   71    61    67    73   0.50000  1.0 1.0
   71    61    67    73   0.27300 -1.0 2.0
   71    61    67    73   0.22500  1.0 3.0
   71    78    81    82   0.15000  1.0 3.0
   71    78    81    83   0.15000  1.0 3.0
   71    78    81    84   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   67    61    64    65  -0.11250  1.0 3.0
   67    61    64    66  -0.11250  1.0 3.0
   67    61   -64    71  -0.95700  1.0 1.0
   67    61   -64    71  -0.18200 -1.0 2.0
   67    61   -64    71   0.29450  1.0 3.0
   67    61   -71    64  -0.95700  1.0 1.0
   67    61   -71    64  -0.18200 -1.0 2.0
   67    61   -71    64   0.29450  1.0 3.0
   67    61    71    72  -0.11250  1.0 3.0
   67    61    71    78  -0.95700  1.0 1.0
   67    61    71    78  -0.18200 -1.0 2.0
   67    61    71    78   0.29450  1.0 3.0
   68    67    73    74   2.45000 -1.0 2.0
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
   58    69    62    63  10.50000 -1.0 2.0
   38    56    47    48  10.50000 -1.0 2.0
   57    47    56    61   1.00000 -1.0 2.0
   61    73    67    68  10.50000 -1.0 2.0
END
