* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    229     433
    1     0 S   NP   _N1_     1    29.72365    97.40812   -17.77117
    2     1 S   H    _HN1     2     1.02779    67.61015   -91.79987
    3     1 S   H    _H1_     3     1.02957    81.55765    22.11372
    4     1 S   H    _H2_     4     1.02838    58.38835   138.13846
    5     1 S   CT   _CA1     5     1.50114   166.59280   175.97464
    6     5 S   HC   _HA1     6     1.09564   105.26242    25.25160
    7     5 S   CO3  _C1_     7     1.53863   112.38554   -95.09124
    8     7 S   O2Z  _O11     8     1.26371   114.97960   -41.99606
    9     7 S   O2Z  _O12     9     1.26228   115.00233   137.26306
   10     5 S   CT   _CB1    10     1.53113   107.44759   143.36346
   11    10 S   HC   HB11    11     1.09815   109.57493   -48.66571
   12    10 S   HC   HB12    12     1.09819   110.34922    68.00004
   13    10 S   CT   _CG1    13     1.52950   112.52959  -169.69439
   14    13 S   HC   HG11    14     1.09414   110.42516   -59.04801
   15    13 S   HC   HG12    15     1.09643   110.04116    59.82769
   16    13 S   C    _CD1    16     1.51797   112.30762   179.92338
   17    16 S   O    _OE1    17     1.22717   123.18958   -11.98157
   18    16 S   N    _N2_    18     1.38535   111.67212   169.19019
   19    18 S   H    _HN2    19     1.01639   118.94357    -0.22555
   20    18 S   CT1  _CA2    20     1.46083   123.58512   177.17423
   21    20 S   HC   _HA2    21     1.09718   109.57842    -4.30056
   22    20 S   C    _C2_    22     1.53623   108.03187  -119.68264
   23    22 S   O    _O2_    23     1.23033   122.24383  -145.47530
   24    20 S   CT   _CB2    32     1.53244   111.48070   118.24259
   25    24 S   HC   HB21    33     1.09308   109.73433    52.92600
   26    24 S   HC   HB22    34     1.09529   110.31621   170.38385
   27    22 S   N    _N3_    24     1.38503   113.51500    41.92137
   28    27 S   H    _HN3    25     1.01496   118.96791    -0.85843
   29    24 S   S    _SG2    35     1.83095   112.43881   -71.68126
   30    27 S   CT   _CA3    26     1.45468   123.58678   175.25307
   31    30 S   HC   HA31    27     1.09512   109.42217    20.79015
   32    30 S   HC   HA32    28     1.09502   107.07036   137.81022
   33    29 S   CT   _C18    36     1.84880   101.09670   122.02617
   34    30 S   CO3  _C3_    29     1.52919   112.99910  -102.82549
   35    34 S   O2Z  _O31    30     1.26418   115.36936   -45.41296
   36    34 S   O2Z  _O32    31     1.26353   115.02128   135.49808
   37    33 S   CM   _C5_    37     1.49834   108.57748   157.32526
   38    37 S   HC   _H28    38     1.08267   124.45058    52.94436
   39    33 S   CM   _C6_    57     1.53271   110.29398   -79.04558
   40    37 S   CMA  _C7_    39     1.33941   111.78693  -128.86245
   41    40 S   OM   _O20    40     1.25661   134.78124  -178.09751
   42    39 S   CT   _C20    58     1.52920   114.33895   -66.04974
   43    42 S   HC   _H38    59     1.09448   110.68708   -63.29659
   44    42 S   HC   _H39    60     1.09521   112.84954   177.51974
   45    42 S   HC   _H40    61     1.09344   111.52313    57.81088
   46    40 S   CT   _C19    41     1.51971   107.49550     1.02336
   47    46 S   CT   _C14    42     1.54613   112.62558  -104.74338
   48    47 S   HC   _H33    43     1.09827   110.33746    41.92620
   49    47 S   HC   _H34    44     1.09879   109.21064   -71.91743
   50    33 S   OS   _O24    76     1.42649   109.40942    46.04179
   51    46 S   CT   _C22    77     1.53570   114.42850   125.96439
   52    51 S   HC   _H44    78     1.09558   111.24263  -166.00699
   53    51 S   HC   _H45    79     1.09495   111.98697    72.52954
   54    51 S   HC   _H46    80     1.09686   110.86033   -48.59093
   55    47 S   CT   _C17    45     1.54290   115.94500   164.94300
   56    55 S   HC   _H37    46     1.09674   109.19430    64.01006
   57    55 S   CT   _C16    47     1.54713   115.57477   -58.41384
   58    57 S   HC   _H36    48     1.09182   110.99697    66.92976
   59    55 S   OS   _O25    65     1.45337   106.74356  -178.19117
   60    57 S   CM   _C8_    49     1.50284   115.66950  -176.21649
   61    59 S   CO4  _C13    66     1.35885   118.16813   -88.04384
   62    61 S   O    _O22    67     1.22208   126.11236     0.33804
   63    60 S   CO4  _C9_    50     1.47784   108.05785   151.37012
   64    63 S   O    _O21    51     1.21708   127.26476   167.47984
   65    60 S   CM   _C10    62     1.33612   130.64250   -27.93110
   66    65 S   HC   _H29    63     1.08437   121.38892    -0.77025
   67    65 S   HC   _H30    64     1.08539   121.59061   179.53061
   68    61 S   CM   _C12    68     1.48978   109.26617  -179.43076
   69    63 S   OS   _O23    52     1.36239   106.71379   -11.08514
   70    68 S   CM   _C11    69     1.34139   117.43855  -178.50669
   71    70 S   HC   _H31    70     1.08553   120.95789  -179.92087
   72    70 S   HC   _H32    71     1.08538   122.46012     0.14402
   73    68 S   CT   _C21    72     1.49811   120.05903     1.66918
   74    73 S   HC   _H41    73     1.09502   110.59775   -60.88801
   75    73 S   HC   _H42    74     1.09510   110.57961    59.59760
   76    73 S   HC   _H43    75     1.09536   111.88761   179.33618
   77    57 S   CT   _C15    53     1.52832   115.67821   -61.03351
   78    77 S   HC   _H35    54     1.10100   108.55322   -45.39985
   79    77 S   CM   _C4_    55     1.50740   126.21844    79.66677
   80    79 S   HC   _H27    56     1.09572   107.05689  -174.21819
  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   9   5   4   3
  16   2   1   1  10   5  13  11   4   7   3   2   1  12  15   7
   6   6   4   2   1   1  14   6  14   8   7   9   9   3   8   3
   4   1   1   7   4   6   2   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    46    79    39    42    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    77    79    80    39    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    40    41    46    47    79    39    42    50    51  
   40    41    46    39    50  
   42    43    44    45    50    40    46    57    69    77    78    79    80  
   41    46    47    48    49    55    50    51    52    53    54  
   46    47    50    51  
   43    44    45    50    77    79    80  
   44    45    79  
   45    79  
   79  
   47    48    49    55    56    57    59    50    51    52    53    54  
   48    49    55    56    57    58    60    77    59    61    50    51    52    53    54  
   49    55    56    57    59    50    51  
   55    56    57    59    50    51  
   51    52    53    54    55    79  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    60    63    69    77    78    79    65    59    61    62    68  
   57    58    60    77    59    61  
   58    60    63    64    69    77    78    79    80    65    66    67    59    61  
   60    63    69    77    78    79    65    59  
   61    62    68    70    73    60    77  
   63    64    69    77    78    79    65    66    67  
   62    68    70    71    72    73    74    75    76  
   68    70    73  
   64    69    77    78    79    65    66    67  
   69    77    65  
   66    67    69    77  
   67  
    0  
   70    71    72    73    74    75    76  
   77    78    79    80  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.486900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    50   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   268.000  1.529
   46    50   320.000  1.410
   46    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   320.000  1.410
   57    58   340.000  1.090
   57    60   317.000  1.510
   57    77   268.000  1.529
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    69   214.000  1.327
   69    77   320.000  1.410
   77    78   340.000  1.090
   77    79   317.000  1.510
   79    80   340.000  1.080
   79    39   549.000  1.340
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   65    66   340.000  1.080
   65    67   340.000  1.080
   59    61   214.000  1.327
   61    62   570.000  1.229
   61    68   320.000  1.462
   68    70   549.000  1.340
   68    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    50    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    39    79    70.00000  124.00000
   33    39    42    65.00000  117.92700
   33    50    46    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    46    47    70.00000  112.02700
   40    46    50    85.00000  110.90400
   40    46    51    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    58.35000  112.70000
   47    55    59    50.00000  109.50000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    60    70.00000  112.02700
   55    57    77    58.35000  112.70000
   55    59    61    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    60    63    65.00000  116.34900
   57    60    65    70.00000  124.00000
   57    77    69    50.00000  109.50000
   57    77    78    37.50000  110.70000
   57    77    79    70.00000  112.02700
   60    57    58    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    69    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   63    69    77    83.00000  116.90000
   69    63    64    83.00000  123.40000
   69    77    78    35.00000  109.50000
   69    77    79    85.00000  110.90400
   77    57    58    37.50000  110.70000
   77    57    60    70.00000  112.02700
   77    79    80    35.00000  117.00000
   77    79    39    70.00000  124.00000
   79    77    78    35.00000  109.50000
   79    39    42    70.00000  124.00000
   39    33    37    70.00000  110.12100
   39    79    80    35.00000  120.00000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   59    55    56    35.00000  109.50000
   59    55    57    50.00000  109.50000
   59    61    62    83.00000  123.40000
   59    61    68    90.00000  111.29400
   61    68    70    65.00000  118.96000
   61    68    73    65.00000  116.34900
   68    61    62    80.00000  123.72100
   68    70    71    35.00000  120.00000
   68    70    72    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    68    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   50    33    37    85.00000  110.90400
   50    33    39    85.00000  110.90400
   50    46    47    50.00000  109.50000
   51    46    47    58.35000  112.70000
   51    46    50    50.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   24    29    33    50   0.13850  1.0 1.0
   24    29    33    50  -1.34450 -1.0 2.0
   24    29    33    50   0.57400  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   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    39    79   0.42700  1.0 1.0
   29    33    39    79  -0.70350 -1.0 2.0
   29    33    39    79  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   29    33    50    46   0.14700  1.0 1.0
   29    33    50    46  -1.16150 -1.0 2.0
   29    33    50    46   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   37    33    39    79  -0.28300  1.0 1.0
   37    33    39    79   0.26700 -1.0 2.0
   37    33    39    79  -0.63300  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    33   -50    46  -0.77900  1.0 1.0
   37    33   -50    46  -0.36900 -1.0 2.0
   37    33   -50    46   0.40400  1.0 3.0
   37    40    46    47   0.09850  1.0 1.0
   37    40    46    47   0.15250 -1.0 2.0
   37    40    46    47  -0.50650  1.0 3.0
   37    40   -46    50   0.39000  1.0 1.0
   37    40   -46    50  -0.05800 -1.0 2.0
   37    40   -46    50  -0.55150  1.0 3.0
   37    40    46    51   0.09850  1.0 1.0
   37    40    46    51   0.15250 -1.0 2.0
   37    40    46    51  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.15000  1.0 3.0
   40    46    47    49   0.15000  1.0 3.0
   40    46    47    55   0.34400  1.0 1.0
   40    46    47    55   0.09450 -1.0 2.0
   40    46    47    55   0.11100  1.0 3.0
   40    46   -50    33  -0.77900  1.0 1.0
   40    46   -50    33  -0.36900 -1.0 2.0
   40    46   -50    33   0.40400  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   41    40    46    47   0.09700  1.0 1.0
   41    40    46    47   0.15600 -1.0 2.0
   41    40    46    47  -0.50800  1.0 3.0
   41    40    46    50   0.09700  1.0 1.0
   41    40    46    50   0.15600 -1.0 2.0
   41    40    46    50  -0.50800  1.0 3.0
   41    40    46    51   0.09700  1.0 1.0
   41    40    46    51   0.15600 -1.0 2.0
   41    40    46    51  -0.50800  1.0 3.0
   46    47    55    56   0.15000  1.0 3.0
   46    47    55    57   0.56750  1.0 1.0
   46    47    55    57  -0.07550 -1.0 2.0
   46    47    55    57   0.20000  1.0 3.0
   46    47    55    59   0.62750  1.0 1.0
   46    47    55    59  -0.30950 -1.0 2.0
   46    47    55    59   0.27300  1.0 3.0
   47    46    50    33   0.06250  1.0 1.0
   47    46    50    33  -0.01100 -1.0 2.0
   47    46    50    33   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   47    55    57    58   0.15000  1.0 3.0
   47    55    57    60   0.34400  1.0 1.0
   47    55    57    60   0.09450 -1.0 2.0
   47    55    57    60   0.11100  1.0 3.0
   47    55    57    77   0.56750  1.0 1.0
   47    55    57    77  -0.07550 -1.0 2.0
   47    55    57    77   0.20000  1.0 3.0
   47    55    59    61  -0.25900  1.0 1.0
   47    55    59    61  -0.47000 -1.0 2.0
   47    55    59    61   0.11750  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    59   0.23400  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   49    47    55    59   0.23400  1.0 3.0
   55    57    60    63   0.09700  1.0 1.0
   55    57    60    63   0.15600 -1.0 2.0
   55    57    60    63  -0.50800  1.0 3.0
   55    57    60    65   0.09850  1.0 1.0
   55    57    60    65   0.15250 -1.0 2.0
   55    57    60    65  -0.50650  1.0 3.0
   55    57    77    69   0.62750  1.0 1.0
   55    57    77    69  -0.30950 -1.0 2.0
   55    57    77    69   0.27300  1.0 3.0
   55    57    77    78   0.15000  1.0 3.0
   55    57    77    79   0.34400  1.0 1.0
   55    57    77    79   0.09450 -1.0 2.0
   55    57    77    79   0.11100  1.0 3.0
   55    59    61    62   3.00000 -1.0 2.0
   55    59    61    68   2.00000 -1.0 2.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    57    77   0.15000  1.0 3.0
   56    55    59    61   0.08050  1.0 3.0
   57    55    59    61  -0.25900  1.0 1.0
   57    55    59    61  -0.47000 -1.0 2.0
   57    55    59    61   0.11750  1.0 3.0
   57    60    63    64  -0.64400  1.0 1.0
   57    60    63    64   0.26850 -1.0 2.0
   57    60   -63    69  -0.15000  1.0 1.0
   57    60   -63    69   0.89550 -1.0 2.0
   57    60   -63    69  -0.06900  1.0 3.0
   57    60    65    66   7.00000 -1.0 2.0
   57    60    65    67   7.00000 -1.0 2.0
   57    77    79    80   0.00000  1.0 1.0
   57    77    79    39   0.09850  1.0 1.0
   57    77    79    39   0.15250 -1.0 2.0
   57    77    79    39  -0.50650  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    60    65   0.00000  1.0 1.0
   58    57    77    69   0.23400  1.0 3.0
   58    57    77    78   0.15000  1.0 3.0
   58    57    77    79   0.15000  1.0 3.0
   60    57   -77    69   0.61850  1.0 1.0
   60    57   -77    69  -0.22750 -1.0 2.0
   60    57   -77    69   0.15300  1.0 3.0
   60    57    77    78   0.15000  1.0 3.0
   60    57    77    79   0.31000  1.0 1.0
   60    57    77    79   0.14700 -1.0 2.0
   60    57    77    79   0.07550  1.0 3.0
   60    63   -69    77   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   63    69   -77    57  -0.25900  1.0 1.0
   63    69   -77    57  -0.47000 -1.0 2.0
   63    69   -77    57   0.11750  1.0 3.0
   63    69    77    78   0.08050  1.0 3.0
   63    69    77    79  -0.82050  1.0 1.0
   63    69    77    79   0.00600 -1.0 2.0
   63    69    77    79   0.04400  1.0 3.0
   64    63    69    77   3.00000 -1.0 2.0
   69    77    79    80   0.00000  1.0 1.0
   69    77    79    39   0.39000  1.0 1.0
   69    77    79    39  -0.05800 -1.0 2.0
   69    77    79    39  -0.55150  1.0 3.0
   77    57   -60    63   0.09700  1.0 1.0
   77    57   -60    63   0.15600 -1.0 2.0
   77    57   -60    63  -0.50800  1.0 3.0
   77    57    60    65   0.09850  1.0 1.0
   77    57    60    65   0.15250 -1.0 2.0
   77    57    60    65  -0.50650  1.0 3.0
   77    79    39    33   7.00000 -1.0 2.0
   77    79    39    42   7.00000 -1.0 2.0
   78    77    79    80   0.33100  1.0 3.0
   78    77    79    39   0.00000  1.0 1.0
   79    39    42    43   0.00000  1.0 1.0
   79    39    42    44   0.00000  1.0 1.0
   79    39    42    45   0.00000  1.0 1.0
   80    79    39    33   7.00000 -1.0 2.0
   80    79    39    42   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    50    46  -0.77900  1.0 1.0
   39    33    50    46  -0.36900 -1.0 2.0
   39    33    50    46   0.40400  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    69  -0.56150  1.0 1.0
   65    60    63    69   2.19150 -1.0 2.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    60   0.61850  1.0 1.0
   59    55    57    60  -0.22750 -1.0 2.0
   59    55    57    60   0.15300  1.0 3.0
   59    55    57    77   0.62750  1.0 1.0
   59    55    57    77  -0.30950 -1.0 2.0
   59    55    57    77   0.27300  1.0 3.0
   59    61    68    70  -0.56150  1.0 1.0
   59    61    68    70   2.19150 -1.0 2.0
   59    61    68    73  -0.15000  1.0 1.0
   59    61    68    73   0.89550 -1.0 2.0
   59    61    68    73  -0.06900  1.0 3.0
   61    68    70    71   7.00000 -1.0 2.0
   61    68    70    72   7.00000 -1.0 2.0
   61    68    73    74   0.15000  1.0 3.0
   61    68    73    75   0.15000  1.0 3.0
   61    68    73    76   0.15000  1.0 3.0
   62    61    68    70   1.00000 -1.0 2.0
   62    61    68    73  -0.64400  1.0 1.0
   62    61    68    73   0.26850 -1.0 2.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    75   0.00000  1.0 1.0
   70    68    73    76   0.00000  1.0 1.0
   73    68    70    71   7.00000 -1.0 2.0
   73    68    70    72   7.00000 -1.0 2.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    40   0.39000  1.0 1.0
   50    33   -37    40  -0.05800 -1.0 2.0
   50    33   -37    40  -0.55150  1.0 3.0
   50    33    39    79   0.39000  1.0 1.0
   50    33    39    79  -0.05800 -1.0 2.0
   50    33    39    79  -0.55150  1.0 3.0
   50    33    39    42   0.09700  1.0 1.0
   50    33    39    42   0.15600 -1.0 2.0
   50    33    39    42  -0.50800  1.0 3.0
   50    46    47    48   0.23400  1.0 3.0
   50    46    47    49   0.23400  1.0 3.0
   50    46    47    55   0.62750  1.0 1.0
   50    46    47    55  -0.30950 -1.0 2.0
   50    46    47    55   0.27300  1.0 3.0
   50    46    51    52   0.23400  1.0 3.0
   50    46    51    53   0.23400  1.0 3.0
   50    46    51    54   0.23400  1.0 3.0
   51    46    47    48   0.15000  1.0 3.0
   51    46    47    49   0.15000  1.0 3.0
   51    46    47    55   0.56750  1.0 1.0
   51    46    47    55  -0.07550 -1.0 2.0
   51    46    47    55   0.20000  1.0 3.0
   51    46    50    33   0.06250  1.0 1.0
   51    46    50    33  -0.01100 -1.0 2.0
   51    46    50    33   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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   57    63    60    65   1.10000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   77    80    79    39   1.10000 -1.0 2.0
   33    42    39    79   1.10000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
   59    68    61    62  10.50000 -1.0 2.0
   61    73    68    70  15.00000 -1.0 2.0
   71    72    70    68  15.00000 -1.0 2.0
END
