* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    250     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02022    90.76399    39.13006
    3     1 S   H    _H1_     3     1.02180    32.88016   163.79198
    4     1 S   H    _H2_     4     1.02068    89.70440   -69.58563
    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   _C18    36     1.83990    97.57011  -158.14033
   34    33 S   HC   _H3_    37     1.09504   105.55291    36.15844
   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   _C15    38     1.53400   108.06404   -80.04651
   39    38 S   HC   _H36    39     1.09759   112.03293   -52.76472
   40    38 S   CO4  _C10    40     1.51758   110.15195  -172.58765
   41    40 S   O    _O21    41     1.22970   122.89593  -130.26175
   42    38 S   OS   _O24    79     1.41973   109.95827    68.38048
   43    40 S   CT   _C12    42     1.50998   115.47568    52.91646
   44    43 S   HC   _H30    43     1.09970   105.54637    60.56850
   45    43 S   HC   _H31    44     1.08885   110.87430   172.25392
   46    42 S   CT   _C22    80     1.42218   111.57641  -159.70958
   47    46 S   HC   _H46    81     1.09320   109.49923   179.96574
   48    46 S   HC   _H47    82     1.09281   109.56873    59.14743
   49    46 S   HC   _H48    83     1.09293   108.96873   -60.46507
   50    43 S   CT   _C19    45     1.54529   110.57735   -57.56255
   51    50 S   CA   _C7_    46     1.54085   114.05453   -66.60096
   52    50 S   CT   _C13    72     1.55357   108.08816   173.31467
   53    52 S   HC   _H32    73     1.09859   110.54493    65.87140
   54    52 S   HC   _H33    74     1.09834   109.48207   -50.67560
   55    51 S   CA   _C6_    47     1.41324   120.23641   149.93843
   56    55 S   CA   _C4_    48     1.40600   120.03575   179.33914
   57    56 S   HA   _H26    49     1.08718   120.12057   179.19692
   58    55 S   CT   _C11    61     1.51205   122.21952    -1.32928
   59    58 S   HC   _H28    62     1.09790   109.48511   130.81431
   60    58 S   HC   _H29    63     1.09868   107.34900  -114.33238
   61    56 S   CA   _C5_    50     1.39099   120.73311    -1.15216
   62    61 S   HA   _H27    51     1.08720   119.69748  -179.67797
   63    58 S   CT   _C17    64     1.54352   115.28034     6.49954
   64    63 S   HC   _H38    65     1.09617   105.83064  -157.87524
   65    61 S   CA   _C8_    52     1.38865   119.71237    -0.29936
   66    33 S   CT   _C16    66     1.55948   110.95605   156.53517
   67    66 S   HC   _H37    67     1.10040   106.08701    58.06084
   68    63 S   NT   _N20    68     1.48388   110.60847    87.67223
   69    51 S   CA   _C9_    53     1.40730   121.63010   -33.15068
   70    65 S   OS   _O23    56     1.36401   118.98853  -178.66851
   71    68 S   CT   _C14    69     1.46774   113.76023   -71.09134
   72    71 S   HC   _H34    70     1.09681   110.48622  -169.66087
   73    71 S   HC   _H35    71     1.09661   108.68216    76.69847
   74    68 S   CT   _C20    75     1.46314   112.17842   161.39930
   75    74 S   HC   _H40    76     1.09382   110.07361   -51.23611
   76    74 S   HC   _H41    77     1.09356   110.24935  -171.24328
   77    74 S   HC   _H42    78     1.09339   110.25146    68.74155
   78    69 S   OH   _O22    54     1.36298   123.34579    -3.48762
   79    78 S   HO   _H49    55     0.97007   110.13013   179.98022
   80    70 S   CT   _C21    57     1.42518   116.98666   -90.78139
   81    80 S   HC   _H43    58     1.09252   109.49208   179.98022
   82    80 S   HC   _H44    59     1.09338   109.51241    59.21400
   83    80 S   HC   _H45    60     1.09272   108.99645   -60.42568
  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  15   6  10   5   6  13   5   4   3   2   1
   1  18  19  12   6   5  14  10   4  11   5   4   6   3  11   5
   8   5   1   7   4   5   6   2   1   3   2   1   1   1   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    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    63    66    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    63    64    66    67    68    52    42    46  
   38    39    40    50    63    66    67    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    63    66    67    42    46    47    48    49  
   40    41    43    66    42    46  
   41    43    44    45    50    51    66    52    42    46  
   43    44    45    50    42  
   46    47    48    49    43    66  
   44    45    50    51    55    69    63    66    67    71    52    53    54  
   45    50    51    66    52  
   50    51    66    52  
   47    48    49  
   48    49  
   49  
    0  
   51    55    56    65    69    78    58    63    64    66    67    68    71    72    73    52    53    54  
   55    56    57    61    65    69    78    79    70    58    59    60    63    66    67    71    52    53    54  
   53    54    74    55    63    66    67    68    69    71    72    73  
   54    66    68    71    72    73  
   66    68    71    72    73  
   56    57    61    62    65    69    78    58    59    60    63    64    66    68  
   57    61    62    65    69    70    58    59    60    63  
   61    62    65    58  
   59    60    63    64    66    67    68    71    74    61    69  
   60    63    64    66    68  
   63    64    66    68  
   62    65    69    78    70    80  
   65    69    70  
   64    66    67    68    71    72    73    74    75    76    77  
   66    67    68    71    74  
   69    78    79    70    80    81    82    83  
   67    68    71    74    69  
   68  
   71    72    73    74    75    76    77  
   78    79    70    80  
   80    81    82    83    78  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79  
    0  
   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   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    66   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   317.000  1.510
   50    66   268.000  1.529
   50    52   268.000  1.529
   51    55   469.000  1.400
   51    69   469.000  1.400
   55    56   469.000  1.400
   55    58   317.000  1.510
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    69   469.000  1.400
   65    70   450.000  1.364
   69    78   450.000  1.364
   78    79   553.000  0.945
   70    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    68   382.000  1.448
   66    67   340.000  1.090
   68    71   382.000  1.448
   68    74   382.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    66    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    66    50    58.35000  112.70000
   33    66    63    58.35000  112.70000
   33    66    67    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    70.00000  112.17500
   43    50    66    58.35000  112.70000
   43    50    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    51    55    70.00000  120.00000
   50    51    69    70.00000  120.00000
   50    66    63    58.35000  112.70000
   50    66    67    37.50000  110.70000
   50    52    71    58.35000  112.70000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   51    55    56    63.00000  120.00000
   51    55    58    70.00000  120.00000
   51    69    65    63.00000  120.00000
   51    69    78    70.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.17500
   56    61    62    35.00000  120.00000
   56    61    65    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    65    69    63.00000  120.00000
   61    65    70    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    69    78    70.00000  120.00000
   65    70    80    75.00000  111.00000
   69    51    55    63.00000  120.00000
   69    78    79    35.00000  113.00000
   70    65    69    70.00000  120.00000
   70    80    81    35.00000  109.50000
   70    80    82    35.00000  109.50000
   70    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   58    55    56    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    66    58.35000  112.70000
   58    63    68    56.20000  109.47000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    68    71    51.80000  107.20000
   63    68    74    51.80000  107.20000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    50    51    70.00000  112.17500
   66    63    64    37.50000  110.70000
   68    63    64    35.00000  109.50000
   68    63    66    56.20000  109.47000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    52    56.20000  109.47000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   71    52    53    37.50000  110.70000
   71    52    54    37.50000  110.70000
   73    71    72    33.00000  107.80000
   52    50    51    70.00000  112.17500
   52    50    66    58.35000  112.70000
   52    71    72    37.50000  110.70000
   52    71    73    37.50000  110.70000
   54    52    53    33.00000  107.80000
   74    68    71    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    66    50   0.44750  1.0 1.0
   29    33    66    50  -0.17800 -1.0 2.0
   29    33    66    50   0.20200  1.0 3.0
   29    33    66    63   0.44750  1.0 1.0
   29    33    66    63  -0.17800 -1.0 2.0
   29    33    66    63   0.20200  1.0 3.0
   29    33    66    67   0.15000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    66    50   0.15000  1.0 3.0
   34    33    66    63   0.15000  1.0 3.0
   34    33    66    67   0.15000  1.0 3.0
   38    33    66    50   0.56750  1.0 1.0
   38    33    66    50  -0.07550 -1.0 2.0
   38    33    66    50   0.20000  1.0 3.0
   38    33    66    63   0.56750  1.0 1.0
   38    33    66    63  -0.07550 -1.0 2.0
   38    33    66    63   0.20000  1.0 3.0
   38    33    66    67   0.15000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51   0.56750  1.0 1.0
   40    43    50    51  -0.07550 -1.0 2.0
   40    43    50    51   0.20000  1.0 3.0
   40    43    50    66  -0.95700  1.0 1.0
   40    43    50    66  -0.18200 -1.0 2.0
   40    43    50    66   0.29450  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    51    55   0.04150 -1.0 2.0
   43    50    51    69   0.04150 -1.0 2.0
   43    50   -66    33   0.56750  1.0 1.0
   43    50   -66    33  -0.07550 -1.0 2.0
   43    50   -66    33   0.20000  1.0 3.0
   43    50    66    63   0.56750  1.0 1.0
   43    50    66    63  -0.07550 -1.0 2.0
   43    50    66    63   0.20000  1.0 3.0
   43    50    66    67   0.15000  1.0 3.0
   43    50    52    71   0.56750  1.0 1.0
   43    50    52    71  -0.07550 -1.0 2.0
   43    50    52    71   0.20000  1.0 3.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    54   0.15000  1.0 3.0
   44    43    50    51   0.43200  1.0 3.0
   44    43    50    66   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   45    43    50    51   0.43200  1.0 3.0
   45    43    50    66   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51    55    58   3.62500 -1.0 2.0
   50    51    69    65   3.62500 -1.0 2.0
   50    51    69    78   3.62500 -1.0 2.0
   51    50    66    33  -0.03700  1.0 1.0
   51    50    66    33   0.37200 -1.0 2.0
   51    50    66    33  -0.47300  1.0 3.0
   51    50    66    63  -0.03700  1.0 1.0
   51    50    66    63   0.37200 -1.0 2.0
   51    50    66    63  -0.47300  1.0 3.0
   51    50    66    67   0.43200  1.0 3.0
   51    50    52    71  -0.03700  1.0 1.0
   51    50    52    71   0.37200 -1.0 2.0
   51    50    52    71  -0.47300  1.0 3.0
   51    50    52    53   0.43200  1.0 3.0
   51    50    52    54   0.43200  1.0 3.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    61   3.62500 -1.0 2.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55   -58    63   0.04150 -1.0 2.0
   51    69    78    79   0.84100 -1.0 2.0
   55    51    69    65   3.62500 -1.0 2.0
   55    51    69    78   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    56   -61    65   3.62500 -1.0 2.0
   55    58    63    64   0.43200  1.0 3.0
   55    58    63    66  -0.03700  1.0 1.0
   55    58    63    66   0.37200 -1.0 2.0
   55    58    63    66  -0.47300  1.0 3.0
   55    58    63    68   0.83750  1.0 1.0
   55    58    63    68   0.32200 -1.0 2.0
   55    58    63    68   0.70600  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    63   0.04150 -1.0 2.0
   56    61    65    69   3.62500 -1.0 2.0
   56    61    65    70   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    65   3.62500 -1.0 2.0
   61    65   -69    51   3.62500 -1.0 2.0
   61    65    69    78   3.62500 -1.0 2.0
   61    65    70    80   1.63200 -1.0 2.0
   62    61    65    69   3.62500 -1.0 2.0
   62    61    65    70   3.62500 -1.0 2.0
   65    69    78    79   0.84100 -1.0 2.0
   65    70    80    81   0.08050  1.0 3.0
   65    70    80    82   0.08050  1.0 3.0
   65    70    80    83   0.08050  1.0 3.0
   69    51   -55    56   3.62500 -1.0 2.0
   69    51    55    58   3.62500 -1.0 2.0
   69    65    70    80   1.63200 -1.0 2.0
   70    65    69    51   3.62500 -1.0 2.0
   70    65    69    78   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   58    63    66    33   0.56750  1.0 1.0
   58    63    66    33  -0.07550 -1.0 2.0
   58    63    66    33   0.20000  1.0 3.0
   58    63   -66    50   0.56750  1.0 1.0
   58    63   -66    50  -0.07550 -1.0 2.0
   58    63   -66    50   0.20000  1.0 3.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    68    71   0.23450  1.0 1.0
   58    63    68    71   0.02050 -1.0 2.0
   58    63    68    71   0.25250  1.0 3.0
   58    63    68    74   0.58650  1.0 1.0
   58    63    68    74   0.12600 -1.0 2.0
   58    63    68    74   0.33350  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    63    68   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   60    58    63    68   0.15000  1.0 3.0
   63    68    71    72   0.28000  1.0 3.0
   63    68    71    73   0.28000  1.0 3.0
   63    68    71    52   0.23450  1.0 1.0
   63    68    71    52   0.02050 -1.0 2.0
   63    68    71    52   0.25250  1.0 3.0
   63    68    74    75   0.28000  1.0 3.0
   63    68    74    76   0.28000  1.0 3.0
   63    68    74    77   0.28000  1.0 3.0
   64    63    66    33   0.15000  1.0 3.0
   64    63    66    50   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    68    71   0.28000  1.0 3.0
   64    63    68    74   0.28000  1.0 3.0
   66    33    38    39   0.15000  1.0 3.0
   66    33   -38    40  -0.95700  1.0 1.0
   66    33   -38    40  -0.18200 -1.0 2.0
   66    33   -38    40   0.29450  1.0 3.0
   66    33    38    42   0.62750  1.0 1.0
   66    33    38    42  -0.30950 -1.0 2.0
   66    33    38    42   0.27300  1.0 3.0
   66    50   -51    55   0.04150 -1.0 2.0
   66    50    51    69   0.04150 -1.0 2.0
   66    50    52    71   0.56750  1.0 1.0
   66    50    52    71  -0.07550 -1.0 2.0
   66    50    52    71   0.20000  1.0 3.0
   66    50    52    53   0.15000  1.0 3.0
   66    50    52    54   0.15000  1.0 3.0
   66    63   -68    71   0.23450  1.0 1.0
   66    63   -68    71   0.02050 -1.0 2.0
   66    63   -68    71   0.25250  1.0 3.0
   66    63    68    74   0.58650  1.0 1.0
   66    63    68    74   0.12600 -1.0 2.0
   66    63    68    74   0.33350  1.0 3.0
   68    63    66    33   1.53400  1.0 1.0
   68    63    66    33  -0.09950 -1.0 2.0
   68    63    66    33   0.05700  1.0 3.0
   68    63    66    50   1.53400  1.0 1.0
   68    63    66    50  -0.09950 -1.0 2.0
   68    63    66    50   0.05700  1.0 3.0
   68    63    66    67   0.15000  1.0 3.0
   68    71   -52    50   1.53400  1.0 1.0
   68    71   -52    50  -0.09950 -1.0 2.0
   68    71   -52    50   0.05700  1.0 3.0
   68    71    52    53   0.15000  1.0 3.0
   68    71    52    54   0.15000  1.0 3.0
   71    68    74    75   0.28000  1.0 3.0
   71    68    74    76   0.28000  1.0 3.0
   71    68    74    77   0.28000  1.0 3.0
   72    71    52    50   0.15000  1.0 3.0
   72    71    52    53   0.15000  1.0 3.0
   72    71    52    54   0.15000  1.0 3.0
   73    71    52    50   0.15000  1.0 3.0
   73    71    52    53   0.15000  1.0 3.0
   73    71    52    54   0.15000  1.0 3.0
   52    50    51    55   0.04150 -1.0 2.0
   52    50    51    69   0.04150 -1.0 2.0
   52    50    66    33   0.56750  1.0 1.0
   52    50    66    33  -0.07550 -1.0 2.0
   52    50    66    33   0.20000  1.0 3.0
   52    50   -66    63   0.56750  1.0 1.0
   52    50   -66    63  -0.07550 -1.0 2.0
   52    50   -66    63   0.20000  1.0 3.0
   52    50    66    67   0.15000  1.0 3.0
   74    68    71    72   0.28000  1.0 3.0
   74    68    71    73   0.28000  1.0 3.0
   74    68    71    52   0.58650  1.0 1.0
   74    68    71    52   0.12600 -1.0 2.0
   74    68    71    52   0.33350  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   38    43    40    41  10.50000 -1.0 2.0
   55    69    51    50   4.00000 -1.0 2.0
   56    58    55    51   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   65    62    61    56   1.10000 -1.0 2.0
   69    70    65    61   4.00000 -1.0 2.0
   65    78    69    51   4.00000 -1.0 2.0
END
