* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    151    232     430
    1     0 S   NP   _N1_     1    28.69007    96.40842   -20.78218
    2     1 S   H    _HN1     2     1.02960    84.99410    43.61995
    3     1 S   H    _H1_     3     1.02828    39.00865   168.55719
    4     1 S   H    _H2_     4     1.02766    85.50397   -65.34344
    5     1 S   CT   _CA1     5     1.50207   149.68836   166.25472
    6     5 S   HC   _HA1     6     1.09576   105.12136    60.65642
    7     5 S   CO3  _C1_     7     1.53908   112.50923   -59.18692
    8     7 S   O2Z  _O11     8     1.26369   115.01526   -35.52069
    9     7 S   O2Z  _O12     9     1.26272   114.97283   143.33665
   10     5 S   CT   _CB1    10     1.53113   107.33903   178.51167
   11    10 S   HC   HB11    11     1.09815   109.34323   -49.03449
   12    10 S   HC   HB12    12     1.09802   110.32114    67.46556
   13    10 S   CT   _CG1    13     1.52969   112.77563  -170.15332
   14    13 S   HC   HG11    14     1.09440   110.36750   -62.29955
   15    13 S   HC   HG12    15     1.09646   110.08002    56.64693
   16    13 S   C    _CD1    16     1.51846   112.41436   176.61014
   17    16 S   O    _OE1    17     1.22723   123.17436   -13.78373
   18    16 S   N    _N2_    18     1.38617   111.67055   167.72412
   19    18 S   H    _HN2    19     1.01578   118.94476    -0.50706
   20    18 S   CT1  _CA2    20     1.46253   123.57916   178.37382
   21    20 S   HC   _HA2    21     1.09738   109.37709   -12.96202
   22    20 S   C    _C2_    22     1.53479   107.88185  -128.36363
   23    22 S   O    _O2_    23     1.23001   122.39230  -144.27143
   24    20 S   CT   _CB2    32     1.53346   111.61261   109.43984
   25    24 S   HC   HB21    33     1.09592   110.05487    52.26288
   26    24 S   HC   HB22    34     1.09512   110.51882   171.41576
   27    22 S   N    _N3_    24     1.38561   113.28953    42.97924
   28    27 S   H    _HN3    25     1.01525   118.91278    -0.45241
   29    24 S   S    _SG2    35     1.82439   111.87519   -69.02273
   30    27 S   CT   _CA3    26     1.45447   123.42175   175.17038
   31    30 S   HC   HA31    27     1.09525   109.19431    25.18590
   32    30 S   HC   HA32    28     1.09494   107.12899   142.18730
   33    29 S   CT   _C20    36     1.81954    98.66711   171.11964
   34    33 S   HC   _H3_    37     1.09379   110.51246   -62.15129
   35    33 S   HC   _H4_    38     1.09531   107.90986    53.73266
   36    30 S   CO3  _C3_    29     1.52930   113.15680   -98.26034
   37    36 S   O2Z  _O31    30     1.26399   115.42823   -43.80355
   38    36 S   O2Z  _O32    31     1.26358   114.96552   137.13354
   39    33 S   CM   _C6_    39     1.49886   110.42460   175.13824
   40    39 S   CMA  _C7_    40     1.35338   125.90359  -100.66179
   41    40 S   OM   _O18    41     1.26288   128.53852     2.33841
   42    40 S   OS   _O20    42     1.42206   109.03992  -175.95678
   43    42 S   CT   _C14    43     1.43683   104.62910   -22.91432
   44    43 S   HC   _H31    44     1.10243   106.71419   -78.60398
   45    43 S   CT   _C11    45     1.54117   112.32139   162.00129
   46    45 S   HC   _H28    46     1.09740   110.24300   -75.34009
   47    39 S   CT   _C12    54     1.51048   124.10290    87.16962
   48    47 S   HC   _H29    55     1.10096   105.33419    84.36984
   49    45 S   CM   _C4_    47     1.54419   109.01837   163.61566
   50    49 S   CM   _C5_    48     1.34609   126.07599    59.11910
   51    49 S   CT   _C9_    67     1.51966   109.35868  -119.73816
   52    51 S   HC   _H24    68     1.09526   109.97384   112.77142
   53    51 S   HC   _H25    69     1.09478   111.39680  -125.71131
   54    50 S   CT   _C10    49     1.50440   121.94506     2.37586
   55    54 S   HC   _H26    50     1.09886   109.62210    59.51034
   56    54 S   HC   _H27    51     1.09824   108.88688   172.12984
   57    50 S   CT   _C17    63     1.50596   123.44320  -178.14628
   58    57 S   HC   _H33    64     1.09540   109.97178   122.80118
   59    57 S   HC   _H34    65     1.09310   113.42232     2.79505
   60    57 S   HC   _H35    66     1.09507   110.10406  -117.74621
   61    51 S   C3T  _C13    70     1.49238   106.72691    -5.78245
   62    61 S   HC   _H30    71     1.07642   117.50314   150.97275
   63    54 S   CT   _C15    52     1.54007   114.73855   -65.01302
   64    63 S   HC   _H32    53     1.09749   111.29445   -45.57903
   65    45 S   C3T  _C16    72     1.52972   115.63344    46.21710
   66    63 S   OS   _O22    56     1.45110   105.79812  -164.95359
   67    61 S   O3T  _O21    73     1.42971   114.71033   -59.61838
   68    65 S   CT   _C19    74     1.48731   124.16670   -37.14083
   69    68 S   HC   _H39    75     1.09622   111.45717  -169.60401
   70    68 S   HC   _H40    76     1.09411   110.97469    71.46205
   71    68 S   HC   _H41    77     1.09428   110.87772   -50.31987
   72    66 S   CO4  _C8_    57     1.36384   117.20428    85.40021
   73    72 S   O    _O19    58     1.22290   126.29812     0.91984
   74    72 S   CT   _C18    59     1.49813   109.55689  -179.73459
   75    74 S   HC   _H36    60     1.09227   109.81510   -69.55610
   76    74 S   HC   _H37    61     1.09353   109.38602   170.81616
   77    74 S   HC   _H38    62     1.09317   109.92754    52.30725
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  16   7  19   8  11   4
  17  15   9   5   4  10   5   4   4   2   1   1   7   3   5   2
   5   6   4   3   2   1   1   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    63    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    54    63    64    47    48    66  
   41    42    43    44    45    63    47    48  
   42    43    47  
   43    44    45    46    49    63    47    48    65  
   44    45    46    49    50    54    63    64    47    48    66    51    61    65    67    68  
   45    46    49    63    47    48    65  
   46    49    50    54    63    47    48    57    51    52    53    61    62    65    67    68    69    70    71  
   49    50    47    51    61    65    67    68  
   48    66    72    65    49    50    54    55    56    63    64  
   66    54    63    64  
   50    54    55    56    63    57    58    59    60    51    52    53    61    62    65    67    68  
   54    55    56    63    64    66    57    58    59    60    51    52    53    61    65  
   52    53    61    62    65    67    68    54    57  
   53    61    62    65    67  
   61    62    65    67  
   55    56    63    64    66    72    57    58    59    60  
   56    63    64    66    57  
   63    64    66    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    65    67    68    69    70    71  
   65    67    68  
   64    66    72    73    74  
   66    72  
   67    68    69    70    71  
   72    73    74    75    76    77  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    65   275.000  1.510
   49    50   549.000  1.340
   49    51   317.000  1.510
   50    54   317.000  1.510
   50    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    47   268.000  1.529
   63    66   320.000  1.410
   47    48   340.000  1.090
   66    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    61   275.000  1.510
   61    62   340.000  1.088
   61    65   260.000  1.509
   61    67   335.000  1.432
   65    67   335.000  1.432
   65    68   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    63    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    70.00000  112.02700
   43    45    65    70.00000  112.37300
   43    47    63    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    49    50    70.00000  124.00000
   45    49    51    65.00000  117.92700
   45    65    61    60.00000  120.94000
   45    65    67    80.00000  116.47100
   45    65    68    58.35000  112.70000
   49    45    46    35.00000  109.50000
   49    50    54    70.00000  124.00000
   49    50    57    70.00000  124.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    61    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    63    70.00000  112.02700
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    60    35.00000  109.50000
   54    63    64    37.50000  110.70000
   54    63    47    58.35000  112.70000
   54    63    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    47    48    37.50000  110.70000
   63    66    72    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    63    64    37.50000  110.70000
   66    63    64    35.00000  109.50000
   66    63    47    50.00000  109.50000
   66    72    73    83.00000  123.40000
   66    72    74    81.00000  111.40000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    50    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    49    50    70.00000  124.00000
   51    61    62    40.00000  115.04500
   51    61    65    60.00000  120.94000
   51    61    67    80.00000  116.47100
   53    51    52    33.00000  107.80000
   61    51    52    45.00000  109.38400
   61    51    53    45.00000  109.38400
   61    65    67    15.00000   60.43100
   61    65    68    60.00000  120.94000
   61    67    65    15.00000   59.14900
   65    45    46    45.00000  109.38400
   65    45    49    70.00000  112.02700
   65    61    62    37.50000  117.20000
   65    68    69    45.00000  109.38400
   65    68    70    45.00000  109.38400
   65    68    71    45.00000  109.38400
   67    61    62    50.00000  114.27700
   67    61    65    15.00000   60.43100
   68    65    67    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    63   0.46850  1.0 1.0
   33    39    47    63   0.08550 -1.0 2.0
   33    39    47    63   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    63   0.09850  1.0 1.0
   40    39    47    63   0.15250 -1.0 2.0
   40    39    47    63  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.61850  1.0 1.0
   42    43    45    49  -0.22750 -1.0 2.0
   42    43    45    49   0.15300  1.0 3.0
   42    43    45    65  -0.26800  1.0 1.0
   42    43    45    65   0.69150 -1.0 2.0
   42    43    45    65  -0.48750  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    63   0.62750  1.0 1.0
   42    43    47    63  -0.30950 -1.0 2.0
   42    43    47    63   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.09850  1.0 1.0
   43    45    49    50   0.15250 -1.0 2.0
   43    45    49    50  -0.50650  1.0 3.0
   43    45    49    51   0.46850  1.0 1.0
   43    45    49    51   0.08550 -1.0 2.0
   43    45    49    51   0.09800  1.0 3.0
   43    45    65    61   0.07850  1.0 1.0
   43    45    65    61  -0.03950 -1.0 2.0
   43    45    65    61   0.67350  1.0 3.0
   43    45    65    67   0.02550  1.0 1.0
   43    45    65    67  -0.02600 -1.0 2.0
   43    45    65    67   1.20400  1.0 3.0
   43    45    65    68   0.56750  1.0 1.0
   43    45    65    68  -0.07550 -1.0 2.0
   43    45    65    68   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    65   0.15000  1.0 3.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    63   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.34400  1.0 1.0
   45    43    47    39   0.09450 -1.0 2.0
   45    43    47    39   0.11100  1.0 3.0
   45    43    47    63   0.56750  1.0 1.0
   45    43    47    63  -0.07550 -1.0 2.0
   45    43    47    63   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    54   7.00000 -1.0 2.0
   45    49    50    57   7.00000 -1.0 2.0
   45    49    51    52   0.34800  1.0 3.0
   45    49    51    53   0.34800  1.0 3.0
   45    49   -51    61   0.46850  1.0 1.0
   45    49   -51    61   0.08550 -1.0 2.0
   45    49   -51    61   0.09800  1.0 3.0
   45    65   -67    61   0.06250  1.0 1.0
   45    65   -67    61  -0.01100 -1.0 2.0
   45    65   -67    61   0.28050  1.0 3.0
   45    65    68    69   0.15000  1.0 3.0
   45    65    68    70   0.15000  1.0 3.0
   45    65    68    71   0.15000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.34800  1.0 3.0
   46    45    65    61   0.15000  1.0 3.0
   46    45    65    67   0.23400  1.0 3.0
   46    45    65    68   0.15000  1.0 3.0
   49    45   -65    61   0.34400  1.0 1.0
   49    45   -65    61   0.09450 -1.0 2.0
   49    45   -65    61   0.11100  1.0 3.0
   49    45    65    67   0.61850  1.0 1.0
   49    45    65    67  -0.22750 -1.0 2.0
   49    45    65    67   0.15300  1.0 3.0
   49    45    65    68   0.34400  1.0 1.0
   49    45    65    68   0.09450 -1.0 2.0
   49    45    65    68   0.11100  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    56   0.00000  1.0 1.0
   49    50    54    63   0.09850  1.0 1.0
   49    50    54    63   0.15250 -1.0 2.0
   49    50    54    63  -0.50650  1.0 3.0
   49    50    57    58   0.00000  1.0 1.0
   49    50    57    59   0.00000  1.0 1.0
   49    50    57    60   0.00000  1.0 1.0
   49    51    61    62   0.15000  1.0 3.0
   49    51   -61    65   0.34400  1.0 1.0
   49    51   -61    65   0.09450 -1.0 2.0
   49    51   -61    65   0.11100  1.0 3.0
   49    51   -61    67   0.61850  1.0 1.0
   49    51   -61    67  -0.22750 -1.0 2.0
   49    51   -61    67   0.15300  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    61   0.09850  1.0 1.0
   50    49    51    61   0.15250 -1.0 2.0
   50    49    51    61  -0.50650  1.0 3.0
   50    54    63    64   0.15000  1.0 3.0
   50    54    63    47   0.34400  1.0 1.0
   50    54    63    47   0.09450 -1.0 2.0
   50    54    63    47   0.11100  1.0 3.0
   50    54    63    66   0.61850  1.0 1.0
   50    54    63    66  -0.22750 -1.0 2.0
   50    54    63    66   0.15300  1.0 3.0
   54    50    57    58   0.34800  1.0 3.0
   54    50    57    59   0.34800  1.0 3.0
   54    50    57    60   0.34800  1.0 3.0
   54    63    47    39   0.34400  1.0 1.0
   54    63    47    39   0.09450 -1.0 2.0
   54    63    47    39   0.11100  1.0 3.0
   54    63    47    43   0.56750  1.0 1.0
   54    63    47    43  -0.07550 -1.0 2.0
   54    63    47    43   0.20000  1.0 3.0
   54    63    47    48   0.15000  1.0 3.0
   54    63    66    72  -0.25900  1.0 1.0
   54    63    66    72  -0.47000 -1.0 2.0
   54    63    66    72   0.11750  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    47   0.15000  1.0 3.0
   55    54    63    66   0.23400  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    47   0.15000  1.0 3.0
   56    54    63    66   0.23400  1.0 3.0
   63    66    72    73   3.00000 -1.0 2.0
   63    66    72    74   1.63150  1.0 1.0
   63    66    72    74   2.92000 -1.0 2.0
   64    63    47    39   0.15000  1.0 3.0
   64    63    47    43   0.15000  1.0 3.0
   64    63    47    48   0.15000  1.0 3.0
   64    63    66    72   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    43    45    65   0.47050  1.0 1.0
   47    43    45    65   0.03900 -1.0 2.0
   47    43    45    65   0.20100  1.0 3.0
   47    63    66    72  -0.25900  1.0 1.0
   47    63    66    72  -0.47000 -1.0 2.0
   47    63    66    72   0.11750  1.0 3.0
   66    63    47    39   0.61850  1.0 1.0
   66    63    47    39  -0.22750 -1.0 2.0
   66    63    47    39   0.15300  1.0 3.0
   66    63    47    43   0.62750  1.0 1.0
   66    63    47    43  -0.30950 -1.0 2.0
   66    63    47    43   0.27300  1.0 3.0
   66    63    47    48   0.23400  1.0 3.0
   66    72    74    75   0.00000  1.0 1.0
   66    72    74    76   0.00000  1.0 1.0
   66    72    74    77   0.00000  1.0 1.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.00000  1.0 1.0
   57    50    54    55   0.34800  1.0 3.0
   57    50    54    56   0.34800  1.0 3.0
   57    50    54    63   0.46850  1.0 1.0
   57    50    54    63   0.08550 -1.0 2.0
   57    50    54    63   0.09800  1.0 3.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    57   7.00000 -1.0 2.0
   51    61   -65    45   0.56750  1.0 1.0
   51    61   -65    45  -0.07550 -1.0 2.0
   51    61   -65    45   0.20000  1.0 3.0
   51    61   -65    67   0.02550  1.0 1.0
   51    61   -65    67  -0.02600 -1.0 2.0
   51    61   -65    67   1.20400  1.0 3.0
   51    61    65    68   0.56750  1.0 1.0
   51    61    65    68  -0.07550 -1.0 2.0
   51    61    65    68   0.20000  1.0 3.0
   51    61   -67    65   0.06250  1.0 1.0
   51    61   -67    65  -0.01100 -1.0 2.0
   51    61   -67    65   0.28050  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    65   0.15000  1.0 3.0
   52    51    61    67   0.23400  1.0 3.0
   53    51    61    62   0.15000  1.0 3.0
   53    51    61    65   0.15000  1.0 3.0
   53    51    61    67   0.23400  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    70   0.15000  1.0 3.0
   61    65    68    71   0.15000  1.0 3.0
   62    61    65    45   0.15000  1.0 3.0
   62    61   -65    67   0.23400  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61   -67    65   0.36800  1.0 3.0
   65    45    49    50   0.09850  1.0 1.0
   65    45    49    50   0.15250 -1.0 2.0
   65    45    49    50  -0.50650  1.0 3.0
   65    45   -49    51   0.46850  1.0 1.0
   65    45   -49    51   0.08550 -1.0 2.0
   65    45   -49    51   0.09800  1.0 3.0
   67    61   -65    45   0.02550  1.0 1.0
   67    61   -65    45  -0.02600 -1.0 2.0
   67    61   -65    45   1.20400  1.0 3.0
   67    61   -65    68   0.02550  1.0 1.0
   67    61   -65    68  -0.02600 -1.0 2.0
   67    61   -65    68   1.20400  1.0 3.0
   67    65    68    69   0.23400  1.0 3.0
   67    65    68    70   0.23400  1.0 3.0
   67    65    68    71   0.23400  1.0 3.0
   68    65   -67    61   0.06250  1.0 1.0
   68    65   -67    61  -0.01100 -1.0 2.0
   68    65   -67    61   0.28050  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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    51    49    50   1.10000 -1.0 2.0
   54    57    50    49   1.10000 -1.0 2.0
   66    74    72    73  10.50000 -1.0 2.0
END
