* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    216     419
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02032   105.27275     1.70479
    3     1 S   H    _H1_     3     1.02136    46.75362   103.20029
    4     1 S   H    _H2_     4     1.02081    65.90718  -102.29721
    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   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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     1.88496    96.11534  -178.12758
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.54835   106.54032   -60.03323
   38    37 S   CMA  _C4_    38     1.36417   122.79540   115.13976
   39    38 S   OM   _O19    39     1.26405   130.30940   179.56255
   40    37 S   CT   _C15    54     1.55364   112.46059   -67.26575
   41    40 S   HC   _H33    55     1.09716   108.17248    59.72978
   42    38 S   CM   _C5_    40     1.48209   119.35270     0.51014
   43    40 S   CT   _C13    56     1.53319   109.98287   -57.74125
   44    43 S   HC   _H29    57     1.09803   110.51137   -66.74207
   45    43 S   HC   _H30    58     1.09827   110.04212   176.29868
   46    40 S   CM   _C12    72     1.50153   117.42693   177.22350
   47    42 S   CM   _C6_    41     1.34367   124.07414    -3.61606
   48    42 S   OS   _O21    49     1.39645   115.55176   175.71554
   49    43 S   CT   _C14    59     1.52699   111.72372    55.86840
   50    49 S   HC   _H31    60     1.09777   108.66243    67.72990
   51    49 S   HC   _H32    61     1.09923   108.34109  -177.90520
   52    46 S   CM   _C10    73     1.34073   121.95919    90.39668
   53    52 S   HC   _H26    74     1.08409   121.38799   179.94766
   54    52 S   HC   _H27    75     1.08576   121.33188    -0.00000
   55    46 S   CT   _C18    76     1.49985   116.13033   -89.63242
   56    55 S   HC   _H34    77     1.09495   110.30404   -89.94926
   57    55 S   HC   _H35    78     1.09496   110.29078    29.86678
   58    55 S   HC   _H36    79     1.09473   112.17847   149.98035
   59    33 S   CO4  _C8_    42     1.54435   102.00350    59.17811
   60    59 S   O    _O20    43     1.23394   122.11605    59.78415
   61    47 S   OS   _O22    44     1.37855   124.53275  -177.42420
   62    48 S   CT   _C20    50     1.39974   112.01311   -89.94800
   63    62 S   HC   _H40    51     1.09287   109.56196  -180.00000
   64    62 S   HC   _H41    52     1.09270   109.54782    59.16628
   65    62 S   HC   _H42    53     1.09307   108.97421   -60.41927
   66    33 S   CT   _C17    62     1.58729   113.32453   178.70926
   67    61 S   CT   _C21    45     1.40678   112.65743    89.96558
   68    67 S   HC   _H43    46     1.09259   109.49156  -180.00000
   69    67 S   HC   _H44    47     1.09240   109.50367    59.16506
   70    67 S   HC   _H45    48     1.09317   108.95716   -60.43586
   71    66 S   CM   _C11    63     1.52072   110.38166  -173.20353
   72    71 S   HC   _H28    64     1.08653   117.13211    -1.08137
   73    66 S   CT   _C19    68     1.54641   114.92204   -53.59320
   74    73 S   HC   _H37    69     1.08182   108.66772    57.93325
   75    73 S   HC   _H38    70     1.08106   108.78100   -62.07553
   76    73 S   HC   _H39    71     1.08125   108.68424   177.89179
   77    71 S   CM   _C9_    65     1.33657   124.03147   178.94334
   78    77 S   HC   _H24    66     1.08468   120.40931  -179.98022
   79    77 S   HC   _H25    67     1.08476   121.58802    -0.03426
  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  11   5   4   3
  23   2   1   1  19  12   4  18   7  10  11   6   5   8  10   6
  11   4   3   6   2   1   3   2   1   1   6   2   4   3   2   1
   1   9   3   2   1   1   8   4   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    66    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    59    60    40    49    66    71    73  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    47    59    60    61    40    41    43    49    50    51    66    71    72    77    73    74    75    76    46  
   35    36  
   36  
    0  
   38    39    42    47    59    60    48    40    41    43    44    45    49    66    71    73    46    52    55  
   39    42    47    59    61    48    62    40    41    43    66    46  
   42    47    48    40  
   41    43    44    45    49    50    51    66    46    52    53    54    55    56    57    58    42    59  
   43    44    45    49    46    52    55  
   47    59    60    61    67    48    62    63    64    65  
   44    45    49    50    51    66    71    73    46    52    55  
   45    49    50    51    66    46  
   49    50    51    66    46  
   52    53    54    55    56    57    58    49  
   59    60    61    67    68    69    70    48    62    66  
   62    63    64    65    59    61  
   50    51    66    71    72    77    73    74    75    76    59  
   51    66    71    73  
   66    71    73  
   53    54    55    56    57    58  
   54    55  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    61    67    66    71    73  
   61    66  
   67    68    69    70  
   63    64    65  
   64    65  
   65  
    0  
   71    72    77    78    79    73    74    75    76  
   68    69    70  
   69    70  
   70  
    0  
   72    77    78    79    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    59   317.000  1.522
   33    66   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   465.000  1.376
   42    47   549.000  1.340
   42    48   440.000  1.360
   47    59   320.000  1.462
   47    61   440.000  1.360
   59    60   570.000  1.229
   61    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   48    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    46   317.000  1.510
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    66   268.000  1.529
   66    71   317.000  1.510
   66    73   268.000  1.529
   71    72   340.000  1.080
   71    77   549.000  1.340
   77    78   340.000  1.080
   77    79   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    52   549.000  1.340
   46    55   317.000  1.510
   52    53   340.000  1.080
   52    54   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    75.00000  110.18000
   29    33    66    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    59    47    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    66    49    58.35000  112.70000
   33    66    71    70.00000  112.02700
   33    66    73    58.35000  112.70000
   37    38    39    65.00000  137.10300
   37    38    42    70.00000  123.01800
   37    40    41    35.00000  109.50000
   37    40    43    70.00000  112.02700
   37    40    46    70.00000  110.12100
   38    42    47    70.00000  117.34000
   38    42    48    80.00000  120.01400
   42    38    39    65.00000  137.10300
   42    47    59    65.00000  118.96000
   42    47    61    80.00000  120.01400
   42    48    62    90.00000  111.18400
   47    59    60    80.00000  123.72100
   47    61    67    90.00000  111.18400
   59    33    37    70.00000  109.06800
   61    47    59    85.00000  116.28000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   48    42    47    80.00000  120.01400
   48    62    63    35.00000  109.50000
   48    62    64    35.00000  109.50000
   48    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    46    52    70.00000  124.00000
   40    46    55    65.00000  117.92700
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    66    58.35000  112.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    66    71    70.00000  112.02700
   49    66    73    58.35000  112.70000
   51    49    50    33.00000  107.80000
   66    33    37    70.00000  112.02700
   66    33    59    63.00000  111.10000
   66    49    50    37.50000  110.70000
   66    49    51    37.50000  110.70000
   66    71    72    35.00000  117.00000
   66    71    77    70.00000  124.00000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   71    77    78    35.00000  120.00000
   71    77    79    35.00000  120.00000
   77    71    72    35.00000  120.00000
   79    77    78    35.00000  117.00000
   73    66    71    70.00000  112.02700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    43    70.00000  112.02700
   46    52    53    35.00000  120.00000
   46    52    54    35.00000  120.00000
   46    55    56    35.00000  109.50000
   46    55    57    35.00000  109.50000
   46    55    58    35.00000  109.50000
   54    52    53    35.00000  117.00000
   55    46    52    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    59    47   0.65300  1.0 1.0
   29    33    59    47  -0.03850 -1.0 2.0
   29    33    59    47   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    66    49   0.44750  1.0 1.0
   29    33    66    49  -0.17800 -1.0 2.0
   29    33    66    49   0.20200  1.0 3.0
   29    33    66    71   0.56750  1.0 1.0
   29    33    66    71  -0.07550 -1.0 2.0
   29    33    66    71   0.20000  1.0 3.0
   29    33    66    73   0.44750  1.0 1.0
   29    33    66    73  -0.17800 -1.0 2.0
   29    33    66    73   0.20200  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    43   0.46850  1.0 1.0
   33    37    40    43   0.08550 -1.0 2.0
   33    37    40    43   0.09800  1.0 3.0
   33    37    40    46   0.09700  1.0 1.0
   33    37    40    46   0.15600 -1.0 2.0
   33    37    40    46  -0.50800  1.0 3.0
   33    66    71    72   0.00000  1.0 1.0
   33    66    71    77   0.09850  1.0 1.0
   33    66    71    77   0.15250 -1.0 2.0
   33    66    71    77  -0.50650  1.0 3.0
   33    66    73    74   0.15000  1.0 3.0
   33    66    73    75   0.15000  1.0 3.0
   33    66    73    76   0.15000  1.0 3.0
   37    33    59    47   0.65300  1.0 1.0
   37    33    59    47  -0.03850 -1.0 2.0
   37    33    59    47   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    66    49   0.34400  1.0 1.0
   37    33    66    49   0.09450 -1.0 2.0
   37    33    66    49   0.11100  1.0 3.0
   37    33    66    71   0.31000  1.0 1.0
   37    33    66    71   0.14700 -1.0 2.0
   37    33    66    71   0.07550  1.0 3.0
   37    33    66    73   0.34400  1.0 1.0
   37    33    66    73   0.09450 -1.0 2.0
   37    33    66    73   0.11100  1.0 3.0
   37    38   -42    47   7.00000 -1.0 2.0
   37    38    42    48   7.00000 -1.0 2.0
   37    40    43    44   0.15000  1.0 3.0
   37    40    43    45   0.15000  1.0 3.0
   37    40   -43    49   0.34400  1.0 1.0
   37    40   -43    49   0.09450 -1.0 2.0
   37    40   -43    49   0.11100  1.0 3.0
   37    40    46    52  -0.28300  1.0 1.0
   37    40    46    52   0.26700 -1.0 2.0
   37    40    46    52  -0.63300  1.0 3.0
   37    40    46    55   0.09700  1.0 1.0
   37    40    46    55   0.15600 -1.0 2.0
   37    40    46    55  -0.50800  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   0.09850  1.0 1.0
   38    37    40    43   0.15250 -1.0 2.0
   38    37    40    43  -0.50650  1.0 3.0
   38    37    40    46  -0.28300  1.0 1.0
   38    37    40    46   0.26700 -1.0 2.0
   38    37    40    46  -0.63300  1.0 3.0
   38    42    47    59   7.00000 -1.0 2.0
   38    42    47    61   7.00000 -1.0 2.0
   38    42    48    62  -2.26850  1.0 1.0
   38    42    48    62   3.39050 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    47   -59    33  -0.33500  1.0 1.0
   42    47   -59    33   1.06600 -1.0 2.0
   42    47   -59    33  -0.14000  1.0 3.0
   42    47    59    60   1.00000 -1.0 2.0
   42    47    61    67  -2.26850  1.0 1.0
   42    47    61    67   3.39050 -1.0 2.0
   42    48    62    63   0.08050  1.0 3.0
   42    48    62    64   0.08050  1.0 3.0
   42    48    62    65   0.08050  1.0 3.0
   47    42    48    62  -2.26850  1.0 1.0
   47    42    48    62   3.39050 -1.0 2.0
   47    61    67    68   0.08050  1.0 3.0
   47    61    67    69   0.08050  1.0 3.0
   47    61    67    70   0.08050  1.0 3.0
   59    33   -37    38  -0.51250  1.0 1.0
   59    33   -37    38  -0.88800 -1.0 2.0
   59    33   -37    38   0.08850  1.0 3.0
   59    33    37    40   0.17250  1.0 1.0
   59    33    37    40  -0.04100 -1.0 2.0
   59    33    37    40  -0.33850  1.0 3.0
   59    33    66    49  -0.95700  1.0 1.0
   59    33    66    49  -0.18200 -1.0 2.0
   59    33    66    49   0.29450  1.0 3.0
   59    33    66    71  -0.98800  1.0 1.0
   59    33    66    71   0.48800 -1.0 2.0
   59    33    66    71   0.76800  1.0 3.0
   59    33    66    73  -0.95700  1.0 1.0
   59    33    66    73  -0.18200 -1.0 2.0
   59    33    66    73   0.29450  1.0 3.0
   59    47    61    67   0.15100 -1.0 2.0
   61    47    59    33   0.32450 -1.0 2.0
   61    47    59    33   0.17400  1.0 3.0
   61    47    59    60  -0.11900  1.0 1.0
   61    47    59    60   0.76850 -1.0 2.0
   61    47    59    60   0.14100  1.0 3.0
   48    42    47    59   7.00000 -1.0 2.0
   48    42    47    61   7.00000 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    66   0.56750  1.0 1.0
   40    43    49    66  -0.07550 -1.0 2.0
   40    43    49    66   0.20000  1.0 3.0
   40    46    52    53   7.00000 -1.0 2.0
   40    46    52    54   7.00000 -1.0 2.0
   40    46    55    56   0.34800  1.0 3.0
   40    46    55    57   0.34800  1.0 3.0
   40    46    55    58   0.34800  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    46    52   0.00000  1.0 1.0
   41    40    46    55   0.34800  1.0 3.0
   43    40    46    52   0.09850  1.0 1.0
   43    40    46    52   0.15250 -1.0 2.0
   43    40    46    52  -0.50650  1.0 3.0
   43    40    46    55   0.46850  1.0 1.0
   43    40    46    55   0.08550 -1.0 2.0
   43    40    46    55   0.09800  1.0 3.0
   43    49   -66    33   0.56750  1.0 1.0
   43    49   -66    33  -0.07550 -1.0 2.0
   43    49   -66    33   0.20000  1.0 3.0
   43    49    66    71   0.34400  1.0 1.0
   43    49    66    71   0.09450 -1.0 2.0
   43    49    66    71   0.11100  1.0 3.0
   43    49    66    73   0.56750  1.0 1.0
   43    49    66    73  -0.07550 -1.0 2.0
   43    49    66    73   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    66   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    66   0.15000  1.0 3.0
   49    66    71    72   0.00000  1.0 1.0
   49    66    71    77   0.09850  1.0 1.0
   49    66    71    77   0.15250 -1.0 2.0
   49    66    71    77  -0.50650  1.0 3.0
   49    66    73    74   0.15000  1.0 3.0
   49    66    73    75   0.15000  1.0 3.0
   49    66    73    76   0.15000  1.0 3.0
   50    49    66    33   0.15000  1.0 3.0
   50    49    66    71   0.15000  1.0 3.0
   50    49    66    73   0.15000  1.0 3.0
   51    49    66    33   0.15000  1.0 3.0
   51    49    66    71   0.15000  1.0 3.0
   51    49    66    73   0.15000  1.0 3.0
   66    33    37    38   0.09850  1.0 1.0
   66    33    37    38   0.15250 -1.0 2.0
   66    33    37    38  -0.50650  1.0 3.0
   66    33   -37    40   0.46850  1.0 1.0
   66    33   -37    40   0.08550 -1.0 2.0
   66    33   -37    40   0.09800  1.0 3.0
   66    33    59    47   0.65300  1.0 1.0
   66    33    59    47  -0.03850 -1.0 2.0
   66    33    59    47   0.33900  1.0 3.0
   66    33    59    60   0.30150 -1.0 2.0
   66    71    77    78   7.00000 -1.0 2.0
   66    71    77    79   7.00000 -1.0 2.0
   71    66    73    74   0.15000  1.0 3.0
   71    66    73    75   0.15000  1.0 3.0
   71    66    73    76   0.15000  1.0 3.0
   72    71    77    78   7.00000 -1.0 2.0
   72    71    77    79   7.00000 -1.0 2.0
   73    66    71    72   0.00000  1.0 1.0
   73    66    71    77   0.09850  1.0 1.0
   73    66    71    77   0.15250 -1.0 2.0
   73    66    71    77  -0.50650  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40    43    49   0.34400  1.0 1.0
   46    40    43    49   0.09450 -1.0 2.0
   46    40    43    49   0.11100  1.0 3.0
   52    46    55    56   0.00000  1.0 1.0
   52    46    55    57   0.00000  1.0 1.0
   52    46    55    58   0.00000  1.0 1.0
   55    46    52    53   7.00000 -1.0 2.0
   55    46    52    54   7.00000 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    48    42    47   1.10000 -1.0 2.0
   59    61    47    42   1.10000 -1.0 2.0
   33    47    59    60  10.50000 -1.0 2.0
   66    72    71    77  15.00000 -1.0 2.0
   78    79    77    71  15.00000 -1.0 2.0
   40    55    46    52  15.00000 -1.0 2.0
   53    54    52    46  15.00000 -1.0 2.0
END
