* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    153    242     456
    1     0 S   NP   _N1_     1    28.06568    96.70183   -22.35434
    2     1 S   H    _HN1     2     1.02776    99.49865  -111.09609
    3     1 S   H    _H1_     3     1.02958    77.22260    -4.28967
    4     1 S   H    _H2_     4     1.02835    35.88617   141.43684
    5     1 S   CT   _CA1     5     1.50130   141.76965   102.53710
    6     5 S   HC   _HA1     6     1.09574   105.22061    82.35300
    7     5 S   CO3  _C1_     7     1.53788   112.35493   -37.85931
    8     7 S   O2Z  _O11     8     1.26366   114.99340   -43.99490
    9     7 S   O2Z  _O12     9     1.26232   114.93590   135.10118
   10     5 S   CT   _CB1    10     1.53094   107.42339  -159.71974
   11    10 S   HC   HB11    11     1.09827   109.35596   -50.35281
   12    10 S   HC   HB12    12     1.09816   110.42023    66.21131
   13    10 S   CT   _CG1    13     1.53016   112.66134  -171.41158
   14    13 S   HC   HG11    14     1.09596   110.49802   -64.11341
   15    13 S   HC   HG12    15     1.09656   109.91847    55.09018
   16    13 S   C    _CD1    16     1.51837   112.30697   175.48456
   17    16 S   O    _OE1    17     1.22748   123.27578     0.55143
   18    16 S   N    _N2_    18     1.38531   111.68972  -179.52399
   19    18 S   H    _HN2    19     1.01556   119.07386     4.51891
   20    18 S   CT1  _CA2    20     1.45914   122.95798   178.30673
   21    20 S   HC   _HA2    21     1.09718   108.95087    23.67518
   22    20 S   C    _C2_    22     1.52886   106.67884   -93.52677
   23    22 S   O    _O2_    23     1.23017   122.89408   -30.12038
   24    20 S   CT   _CB2    32     1.53326   112.21239   146.84853
   25    24 S   HC   HB21    33     1.09524   109.52454    54.98708
   26    24 S   HC   HB22    34     1.09291   109.65072   173.60340
   27    22 S   N    _N3_    24     1.38483   112.76738   152.45751
   28    27 S   H    _HN3    25     1.01674   120.36903    -0.84116
   29    24 S   S    _SG2    35     1.82830   110.53284   -65.07817
   30    27 S   CT   _CA3    26     1.45365   122.31766   178.82998
   31    30 S   HC   HA31    27     1.09570   107.46229   -63.22835
   32    30 S   HC   HA32    28     1.09575   107.90823    53.03358
   33    29 S   CT   _C17    36     1.88161   102.84173  -173.98855
   34    30 S   CO3  _C3_    29     1.52864   114.54472   175.05747
   35    34 S   O2Z  _O31    30     1.26303   116.14724    -1.35364
   36    34 S   O2Z  _O32    31     1.26470   114.36616   178.72712
   37    33 S   CT   _C12    37     1.58224   108.61376  -160.33528
   38    37 S   HC   _H32    38     1.10317   104.86008   162.87545
   39    33 S   CT   _C20    76     1.54043   110.93035   -37.93160
   40    39 S   HC   _H43    77     1.09531   111.86239    72.42021
   41    39 S   HC   _H44    78     1.09389   112.54772   -48.93077
   42    39 S   HC   _H45    79     1.09630   110.96557  -169.07299
   43    37 S   CT   _C10    39     1.56028   105.67211   -86.18873
   44    43 S   HC   _H30    40     1.10123   106.19284  -121.88028
   45    37 S   CT   _C15    54     1.54351   118.48508    46.24390
   46    45 S   HC   _H35    55     1.09577   111.52343   -61.55906
   47    43 S   CM   _C4_    41     1.51708   115.77920   121.14852
   48    43 S   CT   _C9_    70     1.54694   105.83272   -11.06722
   49    48 S   HC   _H28    71     1.09533   112.73508   103.59166
   50    48 S   HC   _H29    72     1.09838   110.43824  -137.90233
   51    47 S   CT   _C8_    42     1.51030   114.89868    77.15843
   52    51 S   HC   _H26    43     1.09827   110.14362    40.20945
   53    51 S   HC   _H27    44     1.09869   109.83427   153.70748
   54    47 S   CM   _C6_    67     1.34329   125.78325  -104.62780
   55    54 S   HC   _H24    68     1.08242   123.08956     2.13277
   56    54 S   HC   _H25    69     1.08603   120.93584  -179.27315
   57    33 S   CT   _C14    73     1.57364   115.18757    88.76996
   58    57 S   OM   _O18    74     1.31928   113.87875   -47.55909
   59    57 S   HC   _H34    75     1.10280   106.10191  -179.13159
   60    51 S   CT   _C16    45     1.53414   113.99871   -83.83376
   61    60 S   HC   _H36    46     1.09854   109.86997   -62.06487
   62    60 S   CT   _C13    47     1.54190   113.65627    59.96375
   63    62 S   HC   _H33    48     1.09913   109.39143    56.71107
   64    60 S   OS   _O22    60     1.44794   107.28627   179.23357
   65    62 S   CT   _C11    49     1.53439   112.92722   177.42633
   66    65 S   HC   _H31    50     1.09638   111.19566    35.16558
   67    64 S   CO4  _C7_    61     1.36292   117.59858    86.17096
   68    67 S   O    _O20    62     1.22301   126.45387    -0.42336
   69    65 S   CO4  _C5_    51     1.50475   102.60847   149.87415
   70    69 S   O    _O19    52     1.22156   125.92477   164.67992
   71    65 S   CT   _C19    56     1.52279   113.95912   -90.75114
   72    71 S   HC   _H40    57     1.09578   111.38477   -56.90750
   73    71 S   HC   _H41    58     1.09573   110.58639  -175.89878
   74    71 S   HC   _H42    59     1.09248   111.92621    64.36155
   75    67 S   CT   _C18    63     1.49839   109.47417   179.54158
   76    75 S   HC   _H37    64     1.09285   109.82143   -62.05059
   77    75 S   HC   _H38    65     1.09379   109.36171   178.85465
   78    75 S   HC   _H39    66     1.09293   109.84276    59.86543
   79    69 S   OS   _O21    53     1.36039   109.98959   -16.22531
  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  13   5   4   3
  19   2   1   1  24  10   9   3   2   1  19   8  16   6  14   7
   4   3  12   6   5   3   1   1   2   1   1  12   5  12   6   7
   8   7   5   4   6   2   4   2   1   1   3   2   1   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    57    58    59    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    62    79    45    46    48    49    50    57    58    59    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    51    60    62    63    65    69    79    45    46    54    48    49    50    57    58    59    39    40    41    42  
   43    44    47    62    79    45    46    48    57    39  
   40    41    42    43    45    48    57    58    59  
   41    42    57  
   42    57  
   57  
   44    47    51    52    53    60    62    79    45    46    54    55    56    48    49    50    57    58    59  
   47    51    45    54    48    49    50    57  
   46    71    64    48    57    47    51    60    61    62    63    65    66    69    70    79  
   60    62    63    65    69    79  
   51    52    53    60    61    62    64    54    55    56    48    49    50    57  
   49    50    57    58    59    51    54  
   50    57    58    59  
   57    58    59  
   52    53    60    61    62    63    65    64    67    54    55    56  
   53    60    61    62    64    54  
   60    61    62    64    54  
   55    56    60  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    65    66    69    79    71    64    67    68    75  
   62    63    65    64    67  
   63    65    66    69    70    79    71    72    73    74    64    67  
   65    66    69    79    71    64  
   67    68    75    76    77    78    65  
   66    69    70    79    71    72    73    74  
   69    70    79    71    72    73    74  
   68    75    76    77    78  
   75    76    77    78  
   70    79    71    72    73    74  
   79    71  
   72    73    74    79  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   268.000  1.529
   47    51   317.000  1.510
   47    54   549.000  1.340
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    45   268.000  1.529
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    71   268.000  1.529
   69    70   570.000  1.229
   69    79   214.000  1.327
   79    45   320.000  1.410
   45    46   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   570.000  1.307
   57    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    57    48    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.02700
   37    43    48    58.35000  112.70000
   37    45    62    58.35000  112.70000
   37    45    79    50.00000  109.50000
   37    45    46    37.50000  110.70000
   43    37    38    37.50000  110.70000
   43    47    51    65.00000  117.92700
   43    47    54    70.00000  124.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    57    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    60    70.00000  112.02700
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   51    60    61    37.50000  110.70000
   51    60    62    58.35000  112.70000
   51    60    64    50.00000  109.50000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    58.35000  112.70000
   60    62    45    58.35000  112.70000
   60    64    67    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    69    63.00000  111.10000
   62    65    71    58.35000  112.70000
   62    45    79    50.00000  109.50000
   62    45    46    37.50000  110.70000
   65    62    63    37.50000  110.70000
   65    69    70    80.00000  120.40000
   65    69    79    81.00000  111.40000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   69    65    66    35.00000  109.50000
   69    79    45    83.00000  116.90000
   79    69    70    83.00000  123.40000
   79    45    46    35.00000  109.50000
   45    37    38    37.50000  110.70000
   45    37    43    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    62    65    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    65    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    67    68    83.00000  123.40000
   64    67    75    81.00000  111.40000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    78    35.00000  109.50000
   75    67    68    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   54    47    51    70.00000  124.00000
   56    54    55    35.00000  117.00000
   48    43    44    37.50000  110.70000
   48    43    47    70.00000  112.02700
   48    57    58    50.00000  109.50000
   48    57    59    37.50000  110.70000
   50    48    49    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   59    57    58    45.00000  125.66300
   39    33    37    58.35000  112.70000
   39    33    57    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.56750  1.0 1.0
   29    33    57    58  -0.07550 -1.0 2.0
   29    33    57    58   0.20000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47   0.34400  1.0 1.0
   33    37    43    47   0.09450 -1.0 2.0
   33    37    43    47   0.11100  1.0 3.0
   33    37   -43    48   0.56750  1.0 1.0
   33    37   -43    48  -0.07550 -1.0 2.0
   33    37   -43    48   0.20000  1.0 3.0
   33    37    45    62   0.56750  1.0 1.0
   33    37    45    62  -0.07550 -1.0 2.0
   33    37    45    62   0.20000  1.0 3.0
   33    37    45    79   0.62750  1.0 1.0
   33    37    45    79  -0.30950 -1.0 2.0
   33    37    45    79   0.27300  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   37    33   -57    48   0.56750  1.0 1.0
   37    33   -57    48  -0.07550 -1.0 2.0
   37    33   -57    48   0.20000  1.0 3.0
   37    33    57    58   0.62750  1.0 1.0
   37    33    57    58  -0.30950 -1.0 2.0
   37    33    57    58   0.27300  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    51   0.46850  1.0 1.0
   37    43    47    51   0.08550 -1.0 2.0
   37    43    47    51   0.09800  1.0 3.0
   37    43    47    54   0.09850  1.0 1.0
   37    43    47    54   0.15250 -1.0 2.0
   37    43    47    54  -0.50650  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43    48    50   0.15000  1.0 3.0
   37    43   -48    57   0.56750  1.0 1.0
   37    43   -48    57  -0.07550 -1.0 2.0
   37    43   -48    57   0.20000  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    62   0.15000  1.0 3.0
   38    37    45    79   0.23400  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   43    37    45    62   0.56750  1.0 1.0
   43    37    45    62  -0.07550 -1.0 2.0
   43    37    45    62   0.20000  1.0 3.0
   43    37    45    79   0.62750  1.0 1.0
   43    37    45    79  -0.30950 -1.0 2.0
   43    37    45    79   0.27300  1.0 3.0
   43    37    45    46   0.15000  1.0 3.0
   43    47    51    52   0.34800  1.0 3.0
   43    47    51    53   0.34800  1.0 3.0
   43    47    51    60   0.46850  1.0 1.0
   43    47    51    60   0.08550 -1.0 2.0
   43    47    51    60   0.09800  1.0 3.0
   43    47    54    55   7.00000 -1.0 2.0
   43    47    54    56   7.00000 -1.0 2.0
   43    48   -57    33   0.56750  1.0 1.0
   43    48   -57    33  -0.07550 -1.0 2.0
   43    48   -57    33   0.20000  1.0 3.0
   43    48    57    58   0.62750  1.0 1.0
   43    48    57    58  -0.30950 -1.0 2.0
   43    48    57    58   0.27300  1.0 3.0
   43    48    57    59   0.15000  1.0 3.0
   44    43    47    51   0.34800  1.0 3.0
   44    43    47    54   0.00000  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    57   0.15000  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    57   0.34400  1.0 1.0
   47    43    48    57   0.09450 -1.0 2.0
   47    43    48    57   0.11100  1.0 3.0
   47    51    60    61   0.15000  1.0 3.0
   47    51    60    62   0.34400  1.0 1.0
   47    51    60    62   0.09450 -1.0 2.0
   47    51    60    62   0.11100  1.0 3.0
   47    51    60    64   0.61850  1.0 1.0
   47    51    60    64  -0.22750 -1.0 2.0
   47    51    60    64   0.15300  1.0 3.0
   51    47    54    55   7.00000 -1.0 2.0
   51    47    54    56   7.00000 -1.0 2.0
   51    60    62    63   0.15000  1.0 3.0
   51    60    62    65   0.56750  1.0 1.0
   51    60    62    65  -0.07550 -1.0 2.0
   51    60    62    65   0.20000  1.0 3.0
   51    60    62    45   0.56750  1.0 1.0
   51    60    62    45  -0.07550 -1.0 2.0
   51    60    62    45   0.20000  1.0 3.0
   51    60    64    67  -0.25900  1.0 1.0
   51    60    64    67  -0.47000 -1.0 2.0
   51    60    64    67   0.11750  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    64   0.23400  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    64   0.23400  1.0 3.0
   60    62    65    66   0.15000  1.0 3.0
   60    62    65    69  -0.95700  1.0 1.0
   60    62    65    69  -0.18200 -1.0 2.0
   60    62    65    69   0.29450  1.0 3.0
   60    62    65    71   0.56750  1.0 1.0
   60    62    65    71  -0.07550 -1.0 2.0
   60    62    65    71   0.20000  1.0 3.0
   60    62    45    37   0.56750  1.0 1.0
   60    62    45    37  -0.07550 -1.0 2.0
   60    62    45    37   0.20000  1.0 3.0
   60    62    45    79   0.62750  1.0 1.0
   60    62    45    79  -0.30950 -1.0 2.0
   60    62    45    79   0.27300  1.0 3.0
   60    62    45    46   0.15000  1.0 3.0
   60    64    67    68   3.00000 -1.0 2.0
   60    64    67    75   1.63150  1.0 1.0
   60    64    67    75   2.92000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    45   0.15000  1.0 3.0
   61    60    64    67   0.08050  1.0 3.0
   62    60    64    67  -0.25900  1.0 1.0
   62    60    64    67  -0.47000 -1.0 2.0
   62    60    64    67   0.11750  1.0 3.0
   62    65    69    70   0.30150 -1.0 2.0
   62    65   -69    79   0.36750  1.0 3.0
   62    65    71    72   0.15000  1.0 3.0
   62    65    71    73   0.15000  1.0 3.0
   62    65    71    74   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    69  -0.11250  1.0 3.0
   63    62    65    71   0.15000  1.0 3.0
   63    62    45    37   0.15000  1.0 3.0
   63    62    45    79   0.23400  1.0 3.0
   63    62    45    46   0.15000  1.0 3.0
   65    62    45    37   0.56750  1.0 1.0
   65    62    45    37  -0.07550 -1.0 2.0
   65    62    45    37   0.20000  1.0 3.0
   65    62   -45    79   0.62750  1.0 1.0
   65    62   -45    79  -0.30950 -1.0 2.0
   65    62   -45    79   0.27300  1.0 3.0
   65    62    45    46   0.15000  1.0 3.0
   65    69   -79    45   1.63150  1.0 1.0
   65    69   -79    45   2.92000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    79   0.00000  1.0 1.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   69    65    71    72  -0.11250  1.0 3.0
   69    65    71    73  -0.11250  1.0 3.0
   69    65    71    74  -0.11250  1.0 3.0
   69    79    45    37  -0.25900  1.0 1.0
   69    79    45    37  -0.47000 -1.0 2.0
   69    79    45    37   0.11750  1.0 3.0
   69    79   -45    62  -0.25900  1.0 1.0
   69    79   -45    62  -0.47000 -1.0 2.0
   69    79   -45    62   0.11750  1.0 3.0
   69    79    45    46   0.08050  1.0 3.0
   70    69    79    45   3.00000 -1.0 2.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    47   0.34400  1.0 1.0
   45    37    43    47   0.09450 -1.0 2.0
   45    37    43    47   0.11100  1.0 3.0
   45    37    43    48   0.56750  1.0 1.0
   45    37    43    48  -0.07550 -1.0 2.0
   45    37    43    48   0.20000  1.0 3.0
   45    62    65    66   0.15000  1.0 3.0
   45    62   -65    69  -0.95700  1.0 1.0
   45    62   -65    69  -0.18200 -1.0 2.0
   45    62   -65    69   0.29450  1.0 3.0
   45    62    65    71   0.56750  1.0 1.0
   45    62    65    71  -0.07550 -1.0 2.0
   45    62    65    71   0.20000  1.0 3.0
   71    65    69    70   0.30150 -1.0 2.0
   71    65    69    79   0.36750  1.0 3.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.62750  1.0 1.0
   64    60    62    65  -0.30950 -1.0 2.0
   64    60    62    65   0.27300  1.0 3.0
   64    60    62    45   0.62750  1.0 1.0
   64    60    62    45  -0.30950 -1.0 2.0
   64    60    62    45   0.27300  1.0 3.0
   64    67    75    76   0.00000  1.0 1.0
   64    67    75    77   0.00000  1.0 1.0
   64    67    75    78   0.00000  1.0 1.0
   68    67    75    76   0.00000  1.0 1.0
   68    67    75    77   0.00000  1.0 1.0
   68    67    75    78   0.00000  1.0 1.0
   54    47    51    52   0.00000  1.0 1.0
   54    47    51    53   0.00000  1.0 1.0
   54    47    51    60   0.09850  1.0 1.0
   54    47    51    60   0.15250 -1.0 2.0
   54    47    51    60  -0.50650  1.0 3.0
   48    43    47    51   0.46850  1.0 1.0
   48    43    47    51   0.08550 -1.0 2.0
   48    43    47    51   0.09800  1.0 3.0
   48    43    47    54   0.09850  1.0 1.0
   48    43    47    54   0.15250 -1.0 2.0
   48    43    47    54  -0.50650  1.0 3.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.23400  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   50    48    57    33   0.15000  1.0 3.0
   50    48    57    58   0.23400  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.56750  1.0 1.0
   57    33   -37    43  -0.07550 -1.0 2.0
   57    33   -37    43   0.20000  1.0 3.0
   57    33    37    45   0.56750  1.0 1.0
   57    33    37    45  -0.07550 -1.0 2.0
   57    33    37    45   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    57    48   0.56750  1.0 1.0
   39    33    57    48  -0.07550 -1.0 2.0
   39    33    57    48   0.20000  1.0 3.0
   39    33    57    58   0.62750  1.0 1.0
   39    33    57    58  -0.30950 -1.0 2.0
   39    33    57    58   0.27300  1.0 3.0
   39    33    57    59   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   43    51    47    54   1.10000 -1.0 2.0
   65    79    69    70  10.50000 -1.0 2.0
   64    75    67    68  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
END
