* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02062    61.93974    78.89611
    3     1 S   H    _H1_     3     1.02109    50.32464  -125.25390
    4     1 S   H    _H2_     4     1.02081   106.12050   -24.11306
    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   167.74439
   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    57.98761
   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     8.59075
   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   105.32504
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.87321    96.40226  -158.11157
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CO4  _C7_    37     1.55017   104.01525   -40.06275
   38    37 S   O    _O20    38     1.23173   122.87095    94.69706
   39    33 S   CT   _C17    53     1.58441   110.93955    82.07356
   40    37 S   CM   _C5_    39     1.49590   119.14853   -81.71189
   41    39 S   CM   _C10    54     1.51977   110.44831  -169.44361
   42    41 S   HC   _H28    55     1.08590   117.17398    -1.06183
   43    39 S   CT   _C19    59     1.55105   114.97112   -49.12646
   44    43 S   HC   _H38    60     1.08030   108.58583    57.43490
   45    43 S   HC   _H39    61     1.08061   108.55016   -62.56082
   46    43 S   HC   _H40    62     1.08085   108.59409   177.44319
   47    40 S   CM   _C4_    40     1.33749   121.92013    -5.98714
   48    41 S   CM   _C8_    56     1.33732   123.97917   179.00988
   49    48 S   HC   _H24    57     1.08470   120.41568   179.97202
   50    48 S   HC   _H25    58     1.08435   121.60250    -0.04423
   51    40 S   OS   _O22    76     1.38216   117.50329   172.01847
   52    47 S   CO4  _C6_    41     1.48516   120.42070    -3.56172
   53    52 S   O    _O19    42     1.22901   119.49604   163.60204
   54    47 S   OS   _O21    71     1.37995   121.43365   176.20698
   55    51 S   CT   _C21    77     1.40624   112.53439    91.98371
   56    55 S   HC   _H44    78     1.09317   109.51374  -179.94766
   57    55 S   HC   _H45    79     1.09239   109.53222    59.17447
   58    55 S   HC   _H46    80     1.09297   108.99528   -60.44978
   59    33 S   CT   _C14    43     1.56117   109.89976  -155.31854
   60    59 S   HC   _H33    44     1.10183   108.38539   172.13760
   61    54 S   CT   _C20    72     1.40713   112.63785   -90.00441
   62    61 S   HC   _H41    73     1.09243   109.48753  -179.95577
   63    61 S   HC   _H42    74     1.09320   109.50445    59.22473
   64    61 S   HC   _H43    75     1.09304   108.96607   -60.38658
   65    59 S   CT   _C15    45     1.54839   113.67019   -68.95791
   66    65 S   HC   _H34    46     1.09843   109.41264    67.66824
   67    65 S   CT   _C12    47     1.53029   111.46491   -53.12200
   68    67 S   HC   _H29    48     1.09769   110.39927   -71.74126
   69    67 S   HC   _H30    49     1.09854   109.62776   172.32095
   70    65 S   CM   _C11    63     1.50506   112.46113  -174.03080
   71    67 S   CT   _C13    50     1.52482   112.94636    51.15954
   72    71 S   HC   _H31    51     1.09696   108.41321    70.92342
   73    71 S   HC   _H32    52     1.09892   108.09360  -175.48668
   74    70 S   CM   _C9_    64     1.34203   121.93762    60.04492
   75    74 S   HC   _H26    65     1.08461   121.35332   179.97202
   76    74 S   HC   _H27    66     1.08522   121.30505     0.06256
   77    70 S   CT   _C18    67     1.50042   116.21195  -119.95645
   78    77 S   HC   _H35    68     1.09478   110.25646   -89.94656
   79    77 S   HC   _H36    69     1.09480   110.21022    29.85944
   80    77 S   HC   _H37    70     1.09414   112.15281   149.92623
  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  12   5   4   3
  24   2   1   1  14   5  20  11  13   5   9   3   2   1  12   3
   1   1   6   9   4   5   3   2   1   1  10   4   3   2   1   1
  15   7   8   5   4   8   2   1   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    52    59    60    65    71    39    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    47    52    53    59    60    65    66    67    71    72    73    39    41    42    48    43    44    45    46    70    51  
   35    36  
   36  
    0  
   38    40    47    52    59    60    65    71    39    41    43    54    51    55  
   40    47    59    39    51  
   41    42    48    49    50    43    44    45    46    40    52    59    60    65    67    68    69    71    72    73  
   47    52    53    59    54    61    51    55    56    57    58  
   42    48    49    50    43    44    45    46    59    67    71    72    73  
   48    49    50    43    71  
   44    45    46    48    59    67    71    72    73  
   45    46    71  
   46    71  
   71  
   52    53    59    60    65    54    61    62    63    64    51    55  
   49    50    71  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    67    70    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    71    70    74    77  
   65    66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    71    72    73    70    74    75    76    77    78    79    80  
   67    68    69    71    70    74    77  
   68    69    71    72    73    70    74    77  
   69    71    72    73    70  
   71    72    73    70  
   74    75    76    77    78    79    80    71  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   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    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  1.522
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    47   549.000  1.340
   40    51   440.000  1.360
   47    52   320.000  1.462
   47    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    41   317.000  1.510
   39    43   268.000  1.529
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    49   340.000  1.080
   48    50   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   70    74   549.000  1.340
   70    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   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  110.18000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    71    58.35000  112.70000
   33    39    41    70.00000  112.02700
   33    39    43    58.35000  112.70000
   37    40    47    65.00000  118.96000
   37    40    51    85.00000  116.28000
   40    37    38    80.00000  123.72100
   40    47    52    65.00000  118.96000
   40    47    54    80.00000  120.01400
   40    51    55    90.00000  111.18400
   47    52    53    80.00000  123.72100
   47    52    59    65.00000  118.62400
   47    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    70    70.00000  112.02700
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    70    74    70.00000  124.00000
   65    70    77    65.00000  117.92700
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    39    41    70.00000  112.02700
   71    39    43    58.35000  112.70000
   73    71    72    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   39    41    42    35.00000  117.00000
   39    41    48    70.00000  124.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    48    49    35.00000  120.00000
   41    48    50    35.00000  120.00000
   48    41    42    35.00000  120.00000
   50    48    49    35.00000  117.00000
   43    39    41    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    70.00000  112.02700
   70    74    75    35.00000  120.00000
   70    74    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    70    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    47    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    40    47    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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    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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  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    37    40    47  -0.33500  1.0 1.0
   33    37    40    47   1.06600 -1.0 2.0
   33    37    40    47  -0.14000  1.0 3.0
   33    37    40    51   0.32450 -1.0 2.0
   33    37    40    51   0.17400  1.0 3.0
   33    59    65    66   0.15000  1.0 3.0
   33    59    65    67   0.56750  1.0 1.0
   33    59    65    67  -0.07550 -1.0 2.0
   33    59    65    67   0.20000  1.0 3.0
   33    59    65    70   0.34400  1.0 1.0
   33    59    65    70   0.09450 -1.0 2.0
   33    59    65    70   0.11100  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    48   0.09850  1.0 1.0
   33    39    41    48   0.15250 -1.0 2.0
   33    39    41    48  -0.50650  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    71  -0.95700  1.0 1.0
   37    33    39    71  -0.18200 -1.0 2.0
   37    33    39    71   0.29450  1.0 3.0
   37    33    39    41  -0.98800  1.0 1.0
   37    33    39    41   0.48800 -1.0 2.0
   37    33    39    41   0.76800  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    40   -47    52   7.00000 -1.0 2.0
   37    40    47    54   7.00000 -1.0 2.0
   37    40    51    55   0.15100 -1.0 2.0
   38    37    40    47   1.00000 -1.0 2.0
   38    37    40    51  -0.11900  1.0 1.0
   38    37    40    51   0.76850 -1.0 2.0
   38    37    40    51   0.14100  1.0 3.0
   40    47    52    53   1.00000 -1.0 2.0
   40    47    52    59  -0.33500  1.0 1.0
   40    47    52    59   1.06600 -1.0 2.0
   40    47    52    59  -0.14000  1.0 3.0
   40    47    54    61  -2.26850  1.0 1.0
   40    47    54    61   3.39050 -1.0 2.0
   40    51    55    56   0.08050  1.0 3.0
   40    51    55    57   0.08050  1.0 3.0
   40    51    55    58   0.08050  1.0 3.0
   47    40    51    55  -2.26850  1.0 1.0
   47    40    51    55   3.39050 -1.0 2.0
   47    52   -59    33   0.65300  1.0 1.0
   47    52   -59    33  -0.03850 -1.0 2.0
   47    52   -59    33   0.33900  1.0 3.0
   47    52    59    60   0.00000  1.0 1.0
   47    52    59    65   0.65300  1.0 1.0
   47    52    59    65  -0.03850 -1.0 2.0
   47    52    59    65   0.33900  1.0 3.0
   47    54    61    62   0.08050  1.0 3.0
   47    54    61    63   0.08050  1.0 3.0
   47    54    61    64   0.08050  1.0 3.0
   52    47    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.11250  1.0 3.0
   52    59    65    67  -0.95700  1.0 1.0
   52    59    65    67  -0.18200 -1.0 2.0
   52    59    65    67   0.29450  1.0 3.0
   52    59    65    70  -0.98800  1.0 1.0
   52    59    65    70   0.48800 -1.0 2.0
   52    59    65    70   0.76800  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    40   0.65300  1.0 1.0
   59    33   -37    40  -0.03850 -1.0 2.0
   59    33   -37    40   0.33900  1.0 3.0
   59    33    39    71   0.56750  1.0 1.0
   59    33    39    71  -0.07550 -1.0 2.0
   59    33    39    71   0.20000  1.0 3.0
   59    33    39    41   0.34400  1.0 1.0
   59    33    39    41   0.09450 -1.0 2.0
   59    33    39    41   0.11100  1.0 3.0
   59    33    39    43   0.56750  1.0 1.0
   59    33    39    43  -0.07550 -1.0 2.0
   59    33    39    43   0.20000  1.0 3.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    69   0.15000  1.0 3.0
   59    65   -67    71   0.56750  1.0 1.0
   59    65   -67    71  -0.07550 -1.0 2.0
   59    65   -67    71   0.20000  1.0 3.0
   59    65    70    74   0.09850  1.0 1.0
   59    65    70    74   0.15250 -1.0 2.0
   59    65    70    74  -0.50650  1.0 3.0
   59    65    70    77   0.46850  1.0 1.0
   59    65    70    77   0.08550 -1.0 2.0
   59    65    70    77   0.09800  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67    71    73   0.15000  1.0 3.0
   65    67    71    39   0.56750  1.0 1.0
   65    67    71    39  -0.07550 -1.0 2.0
   65    67    71    39   0.20000  1.0 3.0
   65    70    74    75   7.00000 -1.0 2.0
   65    70    74    76   7.00000 -1.0 2.0
   65    70    77    78   0.34800  1.0 3.0
   65    70    77    79   0.34800  1.0 3.0
   65    70    77    80   0.34800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    70    74   0.00000  1.0 1.0
   66    65    70    77   0.34800  1.0 3.0
   67    65    70    74   0.09850  1.0 1.0
   67    65    70    74   0.15250 -1.0 2.0
   67    65    70    74  -0.50650  1.0 3.0
   67    65    70    77   0.46850  1.0 1.0
   67    65    70    77   0.08550 -1.0 2.0
   67    65    70    77   0.09800  1.0 3.0
   67    71   -39    33   0.56750  1.0 1.0
   67    71   -39    33  -0.07550 -1.0 2.0
   67    71   -39    33   0.20000  1.0 3.0
   67    71    39    41   0.34400  1.0 1.0
   67    71    39    41   0.09450 -1.0 2.0
   67    71    39    41   0.11100  1.0 3.0
   67    71    39    43   0.56750  1.0 1.0
   67    71    39    43  -0.07550 -1.0 2.0
   67    71    39    43   0.20000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    39   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    39   0.15000  1.0 3.0
   71    39    41    42   0.00000  1.0 1.0
   71    39    41    48   0.09850  1.0 1.0
   71    39    41    48   0.15250 -1.0 2.0
   71    39    41    48  -0.50650  1.0 3.0
   71    39    43    44   0.15000  1.0 3.0
   71    39    43    45   0.15000  1.0 3.0
   71    39    43    46   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   72    71    39    43   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   73    71    39    43   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    41    48    49   7.00000 -1.0 2.0
   39    41    48    50   7.00000 -1.0 2.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    46   0.15000  1.0 3.0
   42    41    48    49   7.00000 -1.0 2.0
   42    41    48    50   7.00000 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    48   0.09850  1.0 1.0
   43    39    41    48   0.15250 -1.0 2.0
   43    39    41    48  -0.50650  1.0 3.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    71   0.34400  1.0 1.0
   70    65    67    71   0.09450 -1.0 2.0
   70    65    67    71   0.11100  1.0 3.0
   74    70    77    78   0.00000  1.0 1.0
   74    70    77    79   0.00000  1.0 1.0
   74    70    77    80   0.00000  1.0 1.0
   77    70    74    75   7.00000 -1.0 2.0
   77    70    74    76   7.00000 -1.0 2.0
   54    47    52    53  -0.11900  1.0 1.0
   54    47    52    53   0.76850 -1.0 2.0
   54    47    52    53   0.14100  1.0 3.0
   54    47    52    59   0.32450 -1.0 2.0
   54    47    52    59   0.17400  1.0 3.0
   51    40    47    52   7.00000 -1.0 2.0
   51    40    47    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  10.50000 -1.0 2.0
   37    51    40    47   1.10000 -1.0 2.0
   52    54    47    40   1.10000 -1.0 2.0
   47    59    52    53  10.50000 -1.0 2.0
   39    42    41    48  15.00000 -1.0 2.0
   49    50    48    41  15.00000 -1.0 2.0
   65    77    70    74  15.00000 -1.0 2.0
   75    76    74    70  15.00000 -1.0 2.0
END
