* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    161    257     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02095   101.27035   -45.85139
    3     1 S   H    _H1_     3     1.02108    75.75933    60.83153
    4     1 S   H    _H2_     4     1.02101    38.80440  -151.72323
    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     1.08610   110.54789    58.81774
   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   _C13    36     1.83335    97.80668   161.83297
   34    33 S   HC   _H3_    37     1.09671   104.74936   -37.00942
   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   CM   _C4_    38     1.51726   109.50987    79.97127
   39    33 S   CT   _C15    54     1.54631   114.57043  -153.85260
   40    39 S   HC   _H36    55     1.09957   106.83673   169.85673
   41    38 S   CT   _C12    39     1.51282   119.11690    87.61349
   42    41 S   HC   _H33    40     1.10204   108.47181   153.04628
   43    39 S   CT   _C20    56     1.53179   113.56491    53.09598
   44    43 S   HC   _H44    57     1.09197   108.87839   178.43928
   45    43 S   HC   _H45    58     1.09167   108.88083   -64.15571
   46    38 S   CMA  _C6_    63     1.34455   120.60537   -96.83689
   47    46 S   OM   _O20    64     1.26389   128.42318  -175.47208
   48    41 S   CT   _C9_    41     1.53439   115.24327   -87.44409
   49    48 S   HC   _H27    42     1.09343   111.97508    49.54314
   50    48 S   HC   _H28    43     1.09545   112.18442   -71.67693
   51    43 S   CT   _C18    59     1.49204   111.53191    57.12009
   52    51 S   HC   _H38    60     1.09574   109.42461   -59.21421
   53    51 S   HC   _H39    61     1.09492   110.94739  -178.43878
   54    51 S   HC   _H40    62     1.09551   110.95294    59.96655
   55    46 S   NE   _N19    65     1.38914   123.07155     4.50241
   56    55 S   H    _H48    66     1.01559   115.33424     0.02798
   57    48 S   CT   _C8_    44     1.52452   104.20167   167.57601
   58    57 S   HC   _H25    45     1.09210   111.82739  -151.91670
   59    57 S   HC   _H26    46     1.09438   111.52025    83.31333
   60    55 S   C3T  _C17    67     1.46274   124.43229  -179.79537
   61    57 S   CO4  _C5_    47     1.50684   101.96177   -32.90362
   62    61 S   O    _O21    48     1.22534   123.68514  -166.36377
   63    60 S   C3T  _C11    68     1.49987   119.97975  -136.55093
   64    63 S   HC   _H31    69     1.08435   118.59648     1.03287
   65    63 S   HC   _H32    70     1.08448   118.42313  -143.70546
   66    60 S   C    _C7_    80     1.47512   111.15388    80.02420
   67    66 S   O    _O22    81     1.22196   125.02236   -95.72372
   68    41 S   CT   _C14    49     1.54029   114.83081    33.80414
   69    68 S   HC   _H35    50     1.09580   109.78229    86.67850
   70    60 S   C3T  _C16    71     1.50106   119.81359   -66.10853
   71    70 S   HC   _H37    72     1.08232   118.68030    -2.20505
   72    66 S   OH   _O23    82     1.35490   110.69322    84.33945
   73    72 S   HO   _H49    83     0.98185   111.91918   179.86152
   74    68 S   CT   _C10    51     1.52575   114.48964   -38.73702
   75    74 S   HC   _H29    52     1.09768   108.82515   172.49282
   76    74 S   HC   _H30    53     1.09783   110.84899   -71.71145
   77    70 S   CT   _C21    73     1.48435   120.78317   142.53636
   78    77 S   HC   _H46    74     1.10841   111.12517   -85.66777
   79    77 S   HC   _H47    75     1.10803   111.18555    31.67747
   80    77 S   CT   _C19    76     1.50957   113.15462   153.03718
   81    80 S   HC   _H41    77     1.09671   111.10224   -56.82651
   82    80 S   HC   _H42    78     1.09537   110.11719  -176.46061
   83    80 S   HC   _H43    79     1.09445   110.19511    62.96631
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  18   7   2   1   1  18  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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    74    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    68    74    75    76    39    40    43    44    45    51    46    47    55  
   38    41    74    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    49    50    57    61    68    69    74    39    40    43    46    47    55    56    60  
   40    43    44    45    51    52    53    54    46    41    61    68    69    74    75    76  
   43    44    45    51    68    74    75    76  
   42    48    49    50    57    58    59    61    62    68    69    74    75    76    46    47    55  
   48    49    50    57    61    68    69    74    46  
   44    45    51    52    53    54    68    74    75    76  
   45    51    52    53    54    74  
   51    52    53    54    74  
   47    55    56    60    63    70    66    48    68  
   55    56    60  
   49    50    57    58    59    61    62    68    69    74  
   50    57    58    59    61    68  
   57    58    59    61    68  
   52    53    54    74  
   53    54  
   54  
    0  
   56    60    63    64    65    70    71    77    66    67    72  
   60    63    70    66  
   58    59    61    62    68    69    74  
   59    61    62    68  
   61    62    68  
   63    64    65    70    71    77    78    79    80    66    67    72    73  
   62    68    69    74    75    76  
   68    69    74  
   64    65    70    71    77    78    79    80    66    67    72  
   65    70    71    77    66  
   70    71    77    66  
   67    72    73    70    71    77  
   72    73    70  
   69    74    75    76  
   74    75    76  
   71    77    78    79    80    81    82    83    72  
   77    78    79    80  
   73  
    0  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    46   465.000  1.376
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    68   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.522
   61    62   570.000  1.229
   61    68   317.000  1.522
   68    69   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    39   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   745.000  1.250
   46    55   415.000  1.382
   55    56   434.000  1.010
   55    60   382.000  1.448
   60    63   260.000  1.509
   60    70   260.000  1.509
   60    66   295.000  1.481
   63    64   340.000  1.088
   63    65   340.000  1.088
   63    70   260.000  1.509
   70    71   340.000  1.088
   70    77   275.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   66    67   570.000  1.229
   66    72   450.000  1.364
   72    73   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    46    70.00000  124.00000
   33    39    74    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    48    70.00000  112.02700
   38    41    68    70.00000  112.02700
   38    46    47    65.00000  137.10300
   38    46    55    75.00000  114.40000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    57    58.35000  112.70000
   41    68    61    63.00000  111.10000
   41    68    69    37.50000  110.70000
   41    68    74    58.35000  112.70000
   48    41    42    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    61    63.00000  111.10000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    61    62    80.00000  120.40000
   57    61    68    70.00000  116.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    68    69    35.00000  109.50000
   61    68    74    63.00000  111.10000
   68    41    42    37.50000  110.70000
   68    41    48    58.35000  112.70000
   68    61    62    80.00000  120.40000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    39    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    39    40    37.50000  110.70000
   74    39    43    58.35000  112.70000
   76    74    75    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    74    75    37.50000  110.70000
   39    74    76    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    38    41    70.00000  124.00000
   46    55    56    50.00000  121.48000
   46    55    60    50.00000  121.00000
   55    46    47   105.00000  113.92000
   55    60    63    70.00000  118.23000
   55    60    70    70.00000  118.23000
   55    60    66    70.00000  113.51500
   60    55    56    35.00000  112.50000
   60    63    64    37.50000  117.20000
   60    63    65    37.50000  117.20000
   60    63    70    10.00000   60.00500
   60    70    63    10.00000   60.00500
   60    70    71    37.50000  117.20000
   60    70    77    60.00000  120.94000
   60    66    67    75.00000  122.66600
   60    66    72    70.00000  108.00000
   63    70    71    37.50000  117.20000
   63    70    77    60.00000  120.94000
   65    63    64    35.00000  114.30000
   70    60    63    10.00000   60.00500
   70    63    64    37.50000  117.20000
   70    63    65    37.50000  117.20000
   70    77    78    45.00000  109.38400
   70    77    79    45.00000  109.38400
   70    77    80    70.00000  112.37300
   77    70    71    40.00000  115.04500
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   66    60    63    65.00000  116.19300
   66    60    70    65.00000  116.19300
   66    72    73    35.00000  113.00000
   72    66    67   100.00000  123.32000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    46   0.42700  1.0 1.0
   29    33    38    46  -0.70350 -1.0 2.0
   29    33    38    46  -0.43150  1.0 3.0
   29    33    39    74   0.44750  1.0 1.0
   29    33    39    74  -0.17800 -1.0 2.0
   29    33    39    74   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   33    38    41    68   0.46850  1.0 1.0
   33    38    41    68   0.08550 -1.0 2.0
   33    38    41    68   0.09800  1.0 3.0
   33    38    46    47   7.00000 -1.0 2.0
   33    38    46    55   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    46   0.00000  1.0 1.0
   34    33    39    74   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    74   0.34400  1.0 1.0
   38    33    39    74   0.09450 -1.0 2.0
   38    33    39    74   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    57   0.34400  1.0 1.0
   38    41    48    57   0.09450 -1.0 2.0
   38    41    48    57   0.11100  1.0 3.0
   38    41    68    61  -0.98800  1.0 1.0
   38    41    68    61   0.48800 -1.0 2.0
   38    41    68    61   0.76800  1.0 3.0
   38    41    68    69   0.15000  1.0 3.0
   38    41   -68    74   0.34400  1.0 1.0
   38    41   -68    74   0.09450 -1.0 2.0
   38    41   -68    74   0.11100  1.0 3.0
   38    46    55    56   1.00000 -1.0 2.0
   38    46    55    60  -0.54700  1.0 1.0
   38    46    55    60   1.23000 -1.0 2.0
   41    38    46    47   7.00000 -1.0 2.0
   41    38    46    55   7.00000 -1.0 2.0
   41    48    57    58   0.15000  1.0 3.0
   41    48    57    59   0.15000  1.0 3.0
   41    48   -57    61  -0.95700  1.0 1.0
   41    48   -57    61  -0.18200 -1.0 2.0
   41    48   -57    61   0.29450  1.0 3.0
   41    68    74    75   0.15000  1.0 3.0
   41    68    74    76   0.15000  1.0 3.0
   41    68    74    39   0.56750  1.0 1.0
   41    68    74    39  -0.07550 -1.0 2.0
   41    68    74    39   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    57   0.15000  1.0 3.0
   42    41    68    61  -0.11250  1.0 3.0
   42    41    68    69   0.15000  1.0 3.0
   42    41    68    74   0.15000  1.0 3.0
   48    41   -68    61  -0.95700  1.0 1.0
   48    41   -68    61  -0.18200 -1.0 2.0
   48    41   -68    61   0.29450  1.0 3.0
   48    41    68    69   0.15000  1.0 3.0
   48    41    68    74   0.56750  1.0 1.0
   48    41    68    74  -0.07550 -1.0 2.0
   48    41    68    74   0.20000  1.0 3.0
   48    57    61    62   0.30150 -1.0 2.0
   48    57   -61    68   0.60050  1.0 1.0
   48    57   -61    68   0.05600 -1.0 2.0
   48    57   -61    68   0.26150  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    61  -0.11250  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    61  -0.11250  1.0 3.0
   57    61   -68    41   0.60050  1.0 1.0
   57    61   -68    41   0.05600 -1.0 2.0
   57    61   -68    41   0.26150  1.0 3.0
   57    61    68    69   0.00000  1.0 1.0
   57    61    68    74   0.60050  1.0 1.0
   57    61    68    74   0.05600 -1.0 2.0
   57    61    68    74   0.26150  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    68   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    68   0.00000  1.0 1.0
   61    68    74    75  -0.11250  1.0 3.0
   61    68    74    76  -0.11250  1.0 3.0
   61    68    74    39  -0.95700  1.0 1.0
   61    68    74    39  -0.18200 -1.0 2.0
   61    68    74    39   0.29450  1.0 3.0
   62    61    68    41   0.30150 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    74   0.30150 -1.0 2.0
   68    41    48    49   0.15000  1.0 3.0
   68    41    48    50   0.15000  1.0 3.0
   68    41   -48    57   0.56750  1.0 1.0
   68    41   -48    57  -0.07550 -1.0 2.0
   68    41   -48    57   0.20000  1.0 3.0
   68    74   -39    33   0.56750  1.0 1.0
   68    74   -39    33  -0.07550 -1.0 2.0
   68    74   -39    33   0.20000  1.0 3.0
   68    74    39    40   0.15000  1.0 3.0
   68    74    39    43   0.56750  1.0 1.0
   68    74    39    43  -0.07550 -1.0 2.0
   68    74    39    43   0.20000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    39   0.15000  1.0 3.0
   74    39    43    44   0.15000  1.0 3.0
   74    39    43    45   0.15000  1.0 3.0
   74    39    43    51   0.56750  1.0 1.0
   74    39    43    51  -0.07550 -1.0 2.0
   74    39    43    51   0.20000  1.0 3.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.15000  1.0 3.0
   75    74    39    43   0.15000  1.0 3.0
   76    74    39    33   0.15000  1.0 3.0
   76    74    39    40   0.15000  1.0 3.0
   76    74    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    46   0.09850  1.0 1.0
   39    33    38    46   0.15250 -1.0 2.0
   39    33    38    46  -0.50650  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    54   0.15000  1.0 3.0
   46    38    41    42   0.00000  1.0 1.0
   46    38    41    48   0.09850  1.0 1.0
   46    38    41    48   0.15250 -1.0 2.0
   46    38    41    48  -0.50650  1.0 3.0
   46    38    41    68   0.09850  1.0 1.0
   46    38    41    68   0.15250 -1.0 2.0
   46    38    41    68  -0.50650  1.0 3.0
   46    55    60    63   0.25450  1.0 1.0
   46    55    60    63  -0.61700 -1.0 2.0
   46    55    60    63  -0.23550  1.0 3.0
   46    55    60    70   0.25450  1.0 1.0
   46    55    60    70  -0.61700 -1.0 2.0
   46    55    60    70  -0.23550  1.0 3.0
   46    55    60    66  -0.12500  1.0 1.0
   46    55    60    66  -0.12500 -1.0 2.0
   46    55    60    66   0.25000  1.0 3.0
   47    46    55    56   1.00000 -1.0 2.0
   47    46    55    60   1.00000 -1.0 2.0
   55    60    63    64   0.22950  1.0 3.0
   55    60    63    65   0.22950  1.0 3.0
   55    60   -63    70   1.26750  1.0 1.0
   55    60   -63    70  -0.00950 -1.0 2.0
   55    60   -63    70   0.30600  1.0 3.0
   55    60   -70    63   1.26750  1.0 1.0
   55    60   -70    63  -0.00950 -1.0 2.0
   55    60   -70    63   0.30600  1.0 3.0
   55    60    70    71   0.22950  1.0 3.0
   55    60    70    77   1.26750  1.0 1.0
   55    60    70    77  -0.00950 -1.0 2.0
   55    60    70    77   0.30600  1.0 3.0
   55    60    66    67   0.30150 -1.0 2.0
   55    60    66    72   0.40000  1.0 3.0
   56    55    60    63   0.00000  1.0 1.0
   56    55    60    70   0.00000  1.0 1.0
   56    55    60    66  -0.12500  1.0 1.0
   56    55    60    66  -0.12500 -1.0 2.0
   56    55    60    66   0.25000  1.0 3.0
   60    63   -70    71   0.15000  1.0 3.0
   60    63   -70    77   0.07850  1.0 1.0
   60    63   -70    77  -0.03950 -1.0 2.0
   60    63   -70    77   0.67350  1.0 3.0
   60    70    77    78   0.15000  1.0 3.0
   60    70    77    79   0.15000  1.0 3.0
   60    70    77    80   0.07850  1.0 1.0
   60    70    77    80  -0.03950 -1.0 2.0
   60    70    77    80   0.67350  1.0 3.0
   60    66    72    73   1.50000  1.0 1.0
   60    66    72    73   2.45000 -1.0 2.0
   63    60   -70    71   0.15000  1.0 3.0
   63    60   -70    77   0.07850  1.0 1.0
   63    60   -70    77  -0.03950 -1.0 2.0
   63    60   -70    77   0.67350  1.0 3.0
   63    60    66    67   0.30150 -1.0 2.0
   63    60    66    72   0.50000  1.0 1.0
   63    60    66    72   0.27300 -1.0 2.0
   63    60    66    72   0.22500  1.0 3.0
   63    70    77    78   0.15000  1.0 3.0
   63    70    77    79   0.15000  1.0 3.0
   63    70    77    80   0.07850  1.0 1.0
   63    70    77    80  -0.03950 -1.0 2.0
   63    70    77    80   0.67350  1.0 3.0
   64    63   -70    60   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    77   0.15000  1.0 3.0
   65    63   -70    60   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    77   0.15000  1.0 3.0
   70    60   -63    64   0.15000  1.0 3.0
   70    60   -63    65   0.15000  1.0 3.0
   70    60    66    67   0.30150 -1.0 2.0
   70    60    66    72   0.50000  1.0 1.0
   70    60    66    72   0.27300 -1.0 2.0
   70    60    66    72   0.22500  1.0 3.0
   70    77    80    81   0.15000  1.0 3.0
   70    77    80    82   0.15000  1.0 3.0
   70    77    80    83   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   66    60    63    64  -0.11250  1.0 3.0
   66    60    63    65  -0.11250  1.0 3.0
   66    60   -63    70  -0.95700  1.0 1.0
   66    60   -63    70  -0.18200 -1.0 2.0
   66    60   -63    70   0.29450  1.0 3.0
   66    60   -70    63  -0.95700  1.0 1.0
   66    60   -70    63  -0.18200 -1.0 2.0
   66    60   -70    63   0.29450  1.0 3.0
   66    60    70    71  -0.11250  1.0 3.0
   66    60    70    77  -0.95700  1.0 1.0
   66    60    70    77  -0.18200 -1.0 2.0
   66    60    70    77   0.29450  1.0 3.0
   67    66    72    73   0.92200  1.0 1.0
   67    66    72    73   3.74100 -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
   33    41    38    46   1.10000 -1.0 2.0
   57    68    61    62  10.50000 -1.0 2.0
   55    47    46    38   1.10000 -1.0 2.0
   56    46    55    60   1.00000 -1.0 2.0
   60    72    66    67  10.50000 -1.0 2.0
END
