* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    223     411
    1     0 S   NP   _N1_     1    28.21531    97.82424   -22.91667
    2     1 S   H    _HN1     2     1.02772   109.19671  -123.48241
    3     1 S   H    _H1_     3     1.02947    71.09452   -20.02182
    4     1 S   H    _H2_     4     1.02830    37.82062   141.81936
    5     1 S   CT   _CA1     5     1.50181   135.11536    80.24640
    6     5 S   HC   _HA1     6     1.09576   105.17545    94.74231
    7     5 S   CO3  _C1_     7     1.53806   111.95386   -25.34339
    8     7 S   O2Z  _O11     8     1.26382   115.00181   -50.42661
    9     7 S   O2Z  _O12     9     1.26204   114.92249   128.05720
   10     5 S   CT   _CB1    10     1.53060   107.32777  -147.47386
   11    10 S   HC   HB11    11     1.09839   109.43578   -49.19753
   12    10 S   HC   HB12    12     1.09806   110.47818    67.37611
   13    10 S   CT   _CG1    13     1.53023   112.62035  -170.09178
   14    13 S   HC   HG11    14     1.09591   110.65362   -64.26314
   15    13 S   HC   HG12    15     1.09657   109.82473    54.95281
   16    13 S   C    _CD1    16     1.51874   111.96442   175.45985
   17    16 S   O    _OE1    17     1.22801   123.24228     8.33828
   18    16 S   N    _N2_    18     1.38431   111.94482  -172.08852
   19    18 S   H    _HN2    19     1.01925   119.11280     2.08168
   20    18 S   CT1  _CA2    20     1.45836   122.86566   179.50941
   21    20 S   HC   _HA2    21     1.09745   108.62903    30.72322
   22    20 S   C    _C2_    22     1.52991   107.55116   -86.45073
   23    22 S   O    _O2_    23     1.22950   123.23967   -25.51572
   24    20 S   CT   _CB2    32     1.53268   111.96604   153.70613
   25    24 S   HC   HB21    33     1.09303   109.37904    56.71181
   26    24 S   HC   HB22    34     1.09514   110.43534   174.88151
   27    22 S   N    _N3_    24     1.38552   112.42356   157.10604
   28    27 S   H    _HN3    25     1.01644   120.32543    -2.20611
   29    24 S   S    _SG2    35     1.82819   110.80001   -65.77669
   30    27 S   CT   _CA3    26     1.45347   122.52332   178.57316
   31    30 S   HC   HA31    27     1.09565   107.84282   -55.31763
   32    30 S   HC   HA32    28     1.09561   107.59098    61.03388
   33    29 S   CT   _C15    36     1.87353   102.09365   152.37552
   34    30 S   CO3  _C3_    29     1.52898   114.28454  -177.21161
   35    34 S   O2Z  _O31    30     1.26344   116.05086     0.75847
   36    34 S   O2Z  _O32    31     1.26437   114.42112  -179.28181
   37    33 S   CT   _C13    37     1.55809   104.56317   176.80494
   38    37 S   HC   _H8_    38     1.09650   110.85879   -57.97570
   39    37 S   HC   _H9_    39     1.09534   111.49873    60.30238
   40    33 S   CT   _C17    72     1.55743   108.56455    58.21694
   41    40 S   HC   _H14    73     1.09633   111.24174   -60.09951
   42    40 S   HC   _H15    74     1.09637   110.69718  -178.64549
   43    37 S   S    _S1_    40     1.83127   114.60359  -177.82004
   44    40 S   OS   _O5_    75     1.43943   110.93451    61.58619
   45    43 S   C4T  _C14    41     1.82581    96.83728   -56.77024
   46    45 S   HC   _H10    42     1.09439   114.44916   -80.65262
   47    44 S   CO4  _C12    76     1.36122   115.82919  -179.91844
   48    47 S   O    _O3_    77     1.22513   125.55528     0.07913
   49    45 S   C4T  _C4_    43     1.55807   115.65922   143.56652
   50    49 S   HC   _H4_    44     1.09615   113.59485   137.15442
   51    45 S   N4   _N7_    47     1.45414   109.58740    47.52165
   52    47 S   N    _N6_    78     1.36848   110.21566  -179.90309
   53    52 S   H    _H16    79     1.01325   121.04534  -179.94405
   54    52 S   H    _H17    80     1.01330   121.01408    -0.16551
   55    49 S   C4   _C5_    45     1.55382    85.17900  -109.86559
   56    55 S   O    _O1_    46     1.20905   136.73214   177.15951
   57    33 S   CT1  _C18    48     1.56052   111.71517   -62.68530
   58    57 S   HC   _H18    49     1.09831   108.59820    79.95811
   59    49 S   N    _N4_    53     1.47720   116.99483     5.05160
   60    59 S   H    _H3_    54     1.01780   119.05427     9.74901
   61    57 S   CO3  _C19    50     1.54929   116.37717   -39.96267
   62    61 S   O2Z  _O7_    51     1.26570   114.60748   113.41249
   63    61 S   O2Z  _O8_    52     1.26234   116.10880   -66.71531
   64    59 S   C    _C11    55     1.37845   122.74936  -167.37925
   65    64 S   O    _O33    56     1.22035   128.41944    -4.03847
   66    64 S   CD   _C10    57     1.50505   112.73792   175.26848
   67    66 S   C5A  _C9_    58     1.44299   114.94521   -84.97908
   68    66 S   NI   _N5_    66     1.29696   114.81510    94.64288
   69    67 S   C5BC _C7_    59     1.38566   131.33788    -1.19583
   70    69 S   HA   _H6_    60     1.08155   126.41968    -0.48497
   71    68 S   OS   _O6_    67     1.39769   112.77098  -179.88131
   72    69 S   C5BC _C6_    61     1.41500   107.04582   179.30198
   73    72 S   HA   _H5_    62     1.08052   127.58987  -179.77445
   74    71 S   CT   _C16    68     1.41946   108.24069  -179.79064
   75    74 S   HC   _H11    69     1.09317   108.47027  -180.00000
   76    74 S   HC   _H12    70     1.09445   110.35057    60.99153
   77    74 S   HC   _H13    71     1.09445   110.34783   -60.98118
   78    72 S   C5A  _C8_    63     1.37238   105.97567     0.08847
   79    78 S   HA   _H7_    64     1.08025   133.83111  -180.00000
   80    67 S   OA   _O4_    65     1.36803   119.85305   178.13806
  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
  17   2   1   1  14   5   4  11   4   3   8   6  12   6   4   3
  10   6   8   2   1   1   7   2   4   3   6   3   2   1   1   7
   3   9   9   7   6   4   4   4   3   3   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    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    57    58    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    55    51    57    58    61    62    63    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    57    58    61    40    41    42    44  
   39    43    45    57    40  
   43    45    57    40  
   41    42    44    47    48    52    43    51    57    58    61  
   42    44    47    57  
   44    47    57  
   45    46    49    50    55    51    57    59  
   47    48    52    53    54    57  
   46    49    50    55    56    51    57    58    61    59    60    64  
   49    50    55    51    57    59  
   48    52    53    54  
   52    53    54  
   50    55    56    51    57    59    60    64    65    66  
   55    56    51    59    60    64  
   57    58    61    62    63    59    55    56  
   53    54  
   54  
    0  
   56    57    58    61    59    60    64  
   57    59  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    69    80    68    71  
   66    67    68  
   67    69    70    72    78    80    68    71    74  
   69    70    72    73    78    79    80    68    71  
   71    74    75    76    77    69    80  
   70    72    73    78    79    80  
   72    73    78    80  
   74    75    76    77  
   73    78    79    80  
   78    79    80  
   75    76    77  
   76    77  
   77  
    0  
   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   54   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
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    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    55   250.000  1.540
   49    59   337.000  1.449
   55    56   930.000  1.212
   55    51   440.000  1.369
   51    57   337.000  1.449
   57    58   340.000  1.090
   57    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   59    60   434.000  1.010
   59    64   490.000  1.335
   64    65   570.000  1.229
   64    66   270.000  1.486
   66    67   340.000  1.446
   66    68   500.000  1.261
   67    69   546.000  1.367
   67    80   340.000  1.360
   69    70   367.000  1.080
   69    72   469.000  1.424
   72    73   367.000  1.080
   72    78   546.000  1.367
   78    79   367.000  1.080
   78    80   340.000  1.360
   68    71   320.000  1.394
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   435.000  1.380
   52    53   434.000  1.010
   52    54   434.000  1.010
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  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    57    51    80.00000  109.70000
   33    57    58    37.50000  110.70000
   33    57    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    55   100.00000   86.36000
   45    49    59    80.00000  110.05700
   45    51    55   100.00000   93.00000
   45    51    57    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    55    56    60.00000  136.58000
   49    55    51    95.00000   92.72400
   49    59    60    38.00000  118.40000
   49    59    64    50.00000  121.90000
   55    49    50    40.00000  113.37500
   55    51    57    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    55    56    75.00000  131.60000
   51    57    58    35.00000  109.50000
   51    57    61    63.00000  110.10000
   57    33    37    58.35000  112.70000
   57    61    62    70.00000  117.00000
   57    61    63    70.00000  117.00000
   61    57    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   59    49    50    50.00000  112.01000
   59    49    55    75.00000  110.24000
   59    64    65    80.00000  122.90000
   59    64    66    75.00000  109.57000
   64    59    60    35.00000  119.80000
   64    66    67    75.00000  114.44000
   64    66    68    65.00000  123.79500
   66    64    65    80.00000  120.45000
   66    67    69    50.00000  135.19500
   66    67    80    85.00000  115.13500
   66    68    71   100.00000  109.52600
   67    69    70    35.00000  125.70000
   67    69    72    70.00000  107.30000
   67    80    78    70.00000  106.50000
   69    72    73    35.00000  127.50000
   69    72    78    70.00000  107.30000
   72    69    70    35.00000  127.50000
   72    78    79    35.00000  132.10000
   72    78    80    70.00000  110.60000
   78    72    73    35.00000  125.70000
   80    67    69    70.00000  110.60000
   80    78    79    35.00000  113.40000
   68    66    67    70.00000  124.86800
   68    71    74   110.00000  106.71400
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52   110.00000  108.75700
   47    52    53    50.00000  116.34900
   47    52    54    50.00000  116.34900
   52    47    48    85.00000  125.96000
   54    52    53    35.00000  120.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    57    51   0.71400  1.0 1.0
   29    33    57    51   0.04300 -1.0 2.0
   29    33    57    51   0.01450  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61  -2.17200  1.0 1.0
   29    33    57    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    57    61    62   0.00000  1.0 1.0
   33    57    61    63   0.00000  1.0 1.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    57    51   0.42250  1.0 1.0
   37    33    57    51  -0.48100 -1.0 2.0
   37    33    57    51   0.35650  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61  -0.84850  1.0 1.0
   37    33    57    61  -0.22800 -1.0 2.0
   37    33    57    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    55   0.00000  1.0 1.0
   43    45    49    59   0.00000  1.0 1.0
   43    45   -51    55   0.00000  1.0 1.0
   43    45    51    57   0.00000  1.0 1.0
   45    49    55    56  -0.11250  1.0 1.0
   45    49    55    56   0.11400 -1.0 2.0
   45    49    55    56  -0.28950  1.0 3.0
   45    49   -55    51   3.00000 -1.0 2.0
   45    49    59    60   0.00000  1.0 1.0
   45    49    59    64  -0.43950  1.0 1.0
   45    49    59    64  -0.08100 -1.0 2.0
   45    49    59    64   0.03350  1.0 3.0
   45    51   -57    33   0.00000  1.0 1.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    55   0.15000  1.0 3.0
   46    45    49    59   0.15000  1.0 3.0
   46    45   -51    55   0.00000  1.0 1.0
   46    45    51    57   0.00000  1.0 1.0
   49    45   -51    55   0.00000  1.0 1.0
   49    45    51    57   0.00000  1.0 1.0
   49    55   -51    45   3.00000 -1.0 2.0
   49    55   -51    57   3.00000 -1.0 2.0
   49    59    64    65   3.04450 -1.0 2.0
   49    59    64    66   1.49850  1.0 1.0
   49    59    64    66   1.53950 -1.0 2.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    51   0.00000  1.0 1.0
   50    49    59    60   0.00000  1.0 1.0
   50    49    59    64   0.00000  1.0 1.0
   55    49    59    60   0.00000  1.0 1.0
   55    49    59    64  -0.42300  1.0 1.0
   55    49    59    64  -0.07000 -1.0 2.0
   55    49    59    64   0.04150  1.0 3.0
   55    51    57    33   0.00000  1.0 1.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    61   0.00000  1.0 1.0
   56    55   -51    45   3.00000 -1.0 2.0
   56    55    51    57   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    55   3.00000 -1.0 2.0
   51    45    49    59   2.20050  1.0 1.0
   51    45    49    59   0.63450 -1.0 2.0
   51    45    49    59  -0.91300  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    63   0.00000  1.0 1.0
   57    33    37    38   0.15000  1.0 3.0
   57    33    37    39   0.15000  1.0 3.0
   57    33   -37    43   0.44750  1.0 1.0
   57    33   -37    43  -0.17800 -1.0 2.0
   57    33   -37    43   0.20200  1.0 3.0
   57    33    40    41   0.15000  1.0 3.0
   57    33    40    42   0.15000  1.0 3.0
   57    33    40    44   0.62750  1.0 1.0
   57    33    40    44  -0.30950 -1.0 2.0
   57    33    40    44   0.27300  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   59    49    55    56   0.30150 -1.0 2.0
   59    49   -55    51   0.00000  1.0 1.0
   59    64    66    67   1.50000 -1.0 2.0
   59    64    66    68   1.50000 -1.0 2.0
   60    59    64    65   2.45000 -1.0 2.0
   60    59    64    66   2.56700 -1.0 2.0
   64    66    67    69   0.30050 -1.0 2.0
   64    66    67    69   0.16600  1.0 3.0
   64    66    67    80   0.30050 -1.0 2.0
   64    66    67    80   0.16600  1.0 3.0
   64    66    68    71   6.00000 -1.0 2.0
   65    64    66    67   1.00000 -1.0 2.0
   65    64    66    68   1.00000 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    72   3.62500 -1.0 2.0
   66    67    80    78   3.62500 -1.0 2.0
   66    68    71    74   1.50000 -1.0 2.0
   67    66    68    71   6.00000 -1.0 2.0
   67    69    72    73   3.62500 -1.0 2.0
   67    69   -72    78   3.62500 -1.0 2.0
   69    67   -80    78   3.62500 -1.0 2.0
   69    72    78    79   3.62500 -1.0 2.0
   69    72   -78    80   3.62500 -1.0 2.0
   70    69    72    73   3.62500 -1.0 2.0
   70    69    72    78   3.62500 -1.0 2.0
   72    78   -80    67   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    67   3.62500 -1.0 2.0
   80    67    69    70   3.62500 -1.0 2.0
   80    67   -69    72   3.62500 -1.0 2.0
   68    66    67    69   1.02250 -1.0 2.0
   68    66    67    80   1.02250 -1.0 2.0
   68    71    74    75   0.37500  1.0 3.0
   68    71    74    76   0.37500  1.0 3.0
   68    71    74    77   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    57    51   0.42250  1.0 1.0
   40    33    57    51  -0.48100 -1.0 2.0
   40    33    57    51   0.35650  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    61  -0.84850  1.0 1.0
   40    33    57    61  -0.22800 -1.0 2.0
   40    33    57    61   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52  -0.80800  1.0 1.0
   40    44    47    52   2.06850 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   2.56700 -1.0 2.0
   44    47    52    54   2.56700 -1.0 2.0
   48    47    52    53   2.45000 -1.0 2.0
   48    47    52    54   2.45000 -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
   49    51    55    56  10.50000 -1.0 2.0
   57    55    51    45   1.00000 -1.0 2.0
   62    57    61    63  10.50000 -1.0 2.0
   60    64    59    49   1.00000 -1.0 2.0
   59    66    64    65  10.50000 -1.0 2.0
   64    67    66    68  10.50000 -1.0 2.0
   69    80    67    66   4.00000 -1.0 2.0
   72    70    69    67   1.10000 -1.0 2.0
   78    73    72    69   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   54    47    52    53   1.00000 -1.0 2.0
END
