* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    169    252     495
    1     0 S   NP   _N1_     1    29.02278    92.66774   -19.22566
    2     1 S   H    _HN1     2     1.02774    82.24242   -65.42401
    3     1 S   H    _H1_     3     1.02975   109.65989    41.31213
    4     1 S   H    _H2_     4     1.02828    26.71877   130.32219
    5     1 S   CT   _CA1     5     1.50157   129.60895  -177.96779
    6     5 S   HC   _HA1     6     1.09579   105.22641    37.10747
    7     5 S   CO3  _C1_     7     1.53828   112.40419   -82.88020
    8     7 S   O2Z  _O11     8     1.26344   115.10827   -41.49806
    9     7 S   O2Z  _O12     9     1.26260   114.90586   137.66289
   10     5 S   CT   _CB1    10     1.53067   107.29057   154.82982
   11    10 S   HC   HB11    11     1.09816   109.25411   -51.88564
   12    10 S   HC   HB12    12     1.09752   110.29924    64.47454
   13    10 S   CT   _CG1    13     1.52974   112.95372  -173.24132
   14    13 S   HC   HG11    14     1.09480   110.10825   -61.08606
   15    13 S   HC   HG12    15     1.09608   110.31785    58.03748
   16    13 S   C    _CD1    16     1.51826   112.02408   178.10174
   17    16 S   O    _OE1    17     1.22752   123.00171   -18.70716
   18    16 S   N    _N2_    18     1.38586   111.89278   162.37358
   19    18 S   H    _HN2    19     1.01570   119.12029     1.07338
   20    18 S   CT1  _CA2    20     1.46366   123.44814  -177.55768
   21    20 S   HC   _HA2    21     1.09736   109.30738   -15.59388
   22    20 S   C    _C2_    22     1.53425   108.28317  -131.25506
   23    22 S   O    _O2_    23     1.22998   122.36920  -146.45976
   24    20 S   CT   _CB2    32     1.53562   111.24957   106.47515
   25    24 S   HC   HB21    33     1.09527   109.31285    55.18953
   26    24 S   HC   HB22    34     1.09463   110.56305   173.76709
   27    22 S   N    _N3_    24     1.38561   113.29495    41.00090
   28    27 S   H    _HN3    25     1.01529   118.84406    -0.64041
   29    24 S   S    _SG2    35     1.82963   111.19879   -66.81940
   30    27 S   CT   _CA3    26     1.45441   123.48140   175.14534
   31    30 S   HC   HA31    27     1.09521   109.26485    23.71136
   32    30 S   HC   HA32    28     1.09496   107.10688   140.71694
   33    29 S   CT   _C12    36     1.86643   100.54395   147.54038
   34    33 S   HC   _H6_    37     1.09200   105.11073   -26.42044
   35    30 S   CO3  _C3_    29     1.52924   113.13406   -99.79183
   36    35 S   O2Z  _O31    30     1.26403   115.42103   -43.97553
   37    35 S   O2Z  _O32    31     1.26359   114.97702   136.99475
   38    33 S   CT   _C13    38     1.54926   105.57251  -140.47780
   39    38 S   HC   _H14    39     1.09968   110.19786   -39.20701
   40    38 S   HC   _H15    40     1.08777   112.03768  -151.30180
   41    33 S   CT   _C11    62     1.58016   115.24913    93.91951
   42    41 S   OM   _O35    63     1.32484   110.13816   -58.58482
   43    38 S   CT   _C14    41     1.54649   114.58641    83.67047
   44    43 S   HC   _H7_    42     1.09864   106.99735   -66.20603
   45    41 S   CT   _C17    64     1.54725   111.82153    60.69617
   46    45 S   HC   _H19    65     1.09693   112.82484   -60.54782
   47    45 S   HC   _H20    66     1.09880   111.76761   179.27584
   48    45 S   HC   _H21    67     1.09592   111.17570    60.19352
   49    43 S   CM   _C5_    43     1.52733   119.10855    55.33523
   50    43 S   OS   _O33    85     1.44992   109.02406   177.06996
   51    49 S   CM   _C6_    44     1.35055   128.73195    44.04203
   52    51 S   HC   _H11    45     1.09062   117.35599   179.14981
   53    49 S   CT   _C4_    81     1.51234   113.05279  -137.81957
   54    53 S   HC   _H8_    82     1.09450   110.16009   -56.39822
   55    53 S   HC   _H9_    83     1.09506   112.79731  -176.42067
   56    53 S   HC   _H10    84     1.09477   110.04451    63.58671
   57    50 S   CO4  _C15    86     1.36243   117.82335    82.44609
   58    57 S   O    _O34    87     1.22323   126.58533    -2.06498
   59    51 S   CT   _C7_    46     1.49839   129.41594     0.10468
   60    59 S   HC   _H3_    47     1.08782   111.34934     8.45494
   61    57 S   CT   _C16    88     1.49827   109.42964   178.36362
   62    61 S   HC   _H16    89     1.09301   109.86267   -58.43957
   63    61 S   HC   _H17    90     1.09379   109.35036  -177.30994
   64    61 S   HC   _H18    91     1.09278   109.80448    63.47339
   65    59 S   CT   _C8_    48     1.52841   113.78511  -120.73523
   66    65 S   HC   _H4_    49     1.10122   109.01098   -49.67976
   67    65 S   CM   _C22    50     1.49405    98.05561  -158.47221
   68    65 S   CT   _C9_    57     1.54122   115.43825    71.08436
   69    68 S   HC   _H5_    58     1.09264   107.34613   -62.21116
   70    67 S   CO4  _C24    51     1.48538   106.81058    31.72719
   71    70 S   O    _O38    52     1.21713   127.19753   165.35844
   72    67 S   CM   _C23    54     1.33481   131.47016  -146.56521
   73    72 S   HC   _H29    55     1.08399   121.46542    -0.93712
   74    72 S   HC   _H30    56     1.08532   121.49910   179.02121
   75    68 S   CT   _C10    59     1.55010   115.76568    61.05669
   76    75 S   HC   _H12    60     1.09435   110.16242    -8.07825
   77    75 S   HC   _H13    61     1.10175   108.68669   105.63946
   78    68 S   OS   _O36    68     1.45341   108.99031  -177.91137
   79    59 S   OS   _O39    53     1.44382   109.87913   123.67028
   80    78 S   CO4  _C18    69     1.36490   118.00963    83.71061
   81    80 S   O    _O37    70     1.22378   125.92231    -1.85087
   82    80 S   CT   _C19    71     1.51782   109.32306   179.12531
   83    82 S   HC   _H22    72     1.09714   107.97422   -40.01934
   84    82 S   CT   _C20    73     1.52385   109.64024    79.55393
   85    84 S   HC   _H23    74     1.09573   111.25412    59.79446
   86    84 S   HC   _H24    75     1.09514   111.00312   -59.71438
   87    84 S   HC   _H25    76     1.09486   110.93137  -179.66023
   88    82 S   CT   _C21    77     1.52625   110.71401  -157.57220
   89    88 S   HC   _H26    78     1.09571   111.49459   -63.20878
   90    88 S   HC   _H27    79     1.09498   110.79268   176.43707
   91    88 S   HC   _H28    80     1.09550   110.79281    56.55711
  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  10   5   4   3
  18   8   2   1   1  13   6   5  13   8  13   5   7   3   2   1
  12   8  13   5   4   2   1   1   5   4  12   6   3   2   1   1
  15   8  10  11   5   5   2   3   1   1   4   2   1   6   1  11
   4   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    75    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    68    75    76    77    41    42    45    46    47    48    50  
   38    39    40    43    75    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    51    75    41    42    45    53    50    57  
   40    43    44    49    41    50  
   43    44    49    41    50  
   42    45    46    47    48    78    43    65    68    69    75    76    77  
   45    46    47    48    68    75    76    77  
   44    49    51    52    59    53    54    55    56    50    57    58    61  
   49    51    53    50    57  
   46    47    48    68    75    76    77  
   47    48    75  
   48    75  
   75  
   51    52    59    60    65    79    53    54    55    56    50    57  
   57    58    61    62    63    64    51    53  
   52    59    60    65    66    67    70    79    68    53    54    55    56  
   59    60    65    79    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    61    62    63    64  
   61    62    63    64  
   60    65    66    67    70    71    79    72    68    69    75    78  
   65    66    67    70    79    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    70    71    79    72    73    74    68    69    75    76    77    78    80  
   67    70    79    72    68    69    75    78  
   70    71    79    72    73    74    68    69    75    78  
   69    75    76    77    78    80    81    82    70    72    79  
   75    76    77    78    80  
   71    79    72    73    74  
   79    72  
   73    74    79  
   74  
    0  
   76    77    78    80  
   77    78  
   78  
   80    81    82    83    84    88  
    0  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    49   317.000  1.510
   43    50   320.000  1.410
   49    51   549.000  1.340
   49    53   317.000  1.510
   51    52   340.000  1.080
   51    59   317.000  1.510
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    79   320.000  1.410
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    68   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    79   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    41   268.000  1.529
   41    42   570.000  1.307
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   78    80   214.000  1.327
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   50    57   214.000  1.327
   57    58   570.000  1.229
   57    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    75    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    49    70.00000  112.02700
   38    43    50    50.00000  109.50000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    51    70.00000  124.00000
   43    49    53    65.00000  117.92700
   43    50    57    83.00000  116.90000
   49    43    44    35.00000  109.50000
   49    51    52    35.00000  120.00000
   49    51    59    70.00000  124.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   51    59    60    35.00000  109.50000
   51    59    65    70.00000  112.02700
   51    59    79    85.00000  110.90400
   59    51    52    35.00000  117.00000
   59    65    66    37.50000  110.70000
   59    65    67    70.00000  112.02700
   59    65    68    58.35000  112.70000
   59    79    70    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    70    65.00000  116.34900
   65    67    72    70.00000  124.00000
   65    68    69    37.50000  110.70000
   65    68    75    58.35000  112.70000
   65    68    78    50.00000  109.50000
   67    65    66    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    79    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   79    59    60    35.00000  109.50000
   79    59    65    50.00000  109.50000
   79    70    71    83.00000  123.40000
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   68    65    66    37.50000  110.70000
   68    65    67    70.00000  112.02700
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    41    58.35000  112.70000
   68    78    80    83.00000  116.90000
   75    68    69    37.50000  110.70000
   75    41    42    50.00000  109.50000
   75    41    45    58.35000  112.70000
   77    75    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    75    76    37.50000  110.70000
   41    75    77    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   78    68    69    35.00000  109.50000
   78    68    75    50.00000  109.50000
   78    80    81    83.00000  123.40000
   78    80    82    81.00000  111.40000
   80    82    83    35.00000  109.50000
   80    82    84    63.00000  111.10000
   80    82    88    63.00000  111.10000
   82    80    81    80.00000  120.40000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   84    82    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   53    49    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    49    85.00000  110.90400
   50    57    58    83.00000  123.40000
   50    57    61    81.00000  111.40000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   61    57    58    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    75   0.44750  1.0 1.0
   29    33    41    75  -0.17800 -1.0 2.0
   29    33    41    75   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    38    43    50   0.62750  1.0 1.0
   33    38    43    50  -0.30950 -1.0 2.0
   33    38    43    50   0.27300  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    75   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    75   0.56750  1.0 1.0
   38    33    41    75  -0.07550 -1.0 2.0
   38    33    41    75   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    51   0.09850  1.0 1.0
   38    43    49    51   0.15250 -1.0 2.0
   38    43    49    51  -0.50650  1.0 3.0
   38    43    49    53   0.46850  1.0 1.0
   38    43    49    53   0.08550 -1.0 2.0
   38    43    49    53   0.09800  1.0 3.0
   38    43    50    57  -0.25900  1.0 1.0
   38    43    50    57  -0.47000 -1.0 2.0
   38    43    50    57   0.11750  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    43    50   0.23400  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   40    38    43    50   0.23400  1.0 3.0
   43    49    51    52   7.00000 -1.0 2.0
   43    49    51    59   7.00000 -1.0 2.0
   43    49    53    54   0.34800  1.0 3.0
   43    49    53    55   0.34800  1.0 3.0
   43    49    53    56   0.34800  1.0 3.0
   43    50    57    58   3.00000 -1.0 2.0
   43    50    57    61   1.63150  1.0 1.0
   43    50    57    61   2.92000 -1.0 2.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    53   0.34800  1.0 3.0
   44    43    50    57   0.08050  1.0 3.0
   49    43    50    57  -0.82050  1.0 1.0
   49    43    50    57   0.00600 -1.0 2.0
   49    43    50    57   0.04400  1.0 3.0
   49    51    59    60   0.00000  1.0 1.0
   49    51    59    65   0.09850  1.0 1.0
   49    51    59    65   0.15250 -1.0 2.0
   49    51    59    65  -0.50650  1.0 3.0
   49    51    59    79   0.39000  1.0 1.0
   49    51    59    79  -0.05800 -1.0 2.0
   49    51    59    79  -0.55150  1.0 3.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    55   0.00000  1.0 1.0
   51    49    53    56   0.00000  1.0 1.0
   51    59    65    66   0.15000  1.0 3.0
   51    59    65    67   0.31000  1.0 1.0
   51    59    65    67   0.14700 -1.0 2.0
   51    59    65    67   0.07550  1.0 3.0
   51    59    65    68   0.34400  1.0 1.0
   51    59    65    68   0.09450 -1.0 2.0
   51    59    65    68   0.11100  1.0 3.0
   51    59    79    70  -0.82050  1.0 1.0
   51    59    79    70   0.00600 -1.0 2.0
   51    59    79    70   0.04400  1.0 3.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    65   0.00000  1.0 1.0
   52    51    59    79   0.00000  1.0 1.0
   59    65   -67    70   0.09700  1.0 1.0
   59    65   -67    70   0.15600 -1.0 2.0
   59    65   -67    70  -0.50800  1.0 3.0
   59    65    67    72   0.09850  1.0 1.0
   59    65    67    72   0.15250 -1.0 2.0
   59    65    67    72  -0.50650  1.0 3.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    75   0.56750  1.0 1.0
   59    65    68    75  -0.07550 -1.0 2.0
   59    65    68    75   0.20000  1.0 3.0
   59    65    68    78   0.62750  1.0 1.0
   59    65    68    78  -0.30950 -1.0 2.0
   59    65    68    78   0.27300  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   60    59    79    70   0.08050  1.0 3.0
   65    59   -79    70  -0.25900  1.0 1.0
   65    59   -79    70  -0.47000 -1.0 2.0
   65    59   -79    70   0.11750  1.0 3.0
   65    67    70    71  -0.64400  1.0 1.0
   65    67    70    71   0.26850 -1.0 2.0
   65    67   -70    79  -0.15000  1.0 1.0
   65    67   -70    79   0.89550 -1.0 2.0
   65    67   -70    79  -0.06900  1.0 3.0
   65    67    72    73   7.00000 -1.0 2.0
   65    67    72    74   7.00000 -1.0 2.0
   65    68    75    76   0.15000  1.0 3.0
   65    68    75    77   0.15000  1.0 3.0
   65    68    75    41   0.56750  1.0 1.0
   65    68    75    41  -0.07550 -1.0 2.0
   65    68    75    41   0.20000  1.0 3.0
   65    68    78    80  -0.25900  1.0 1.0
   65    68    78    80  -0.47000 -1.0 2.0
   65    68    78    80   0.11750  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    67    72   0.00000  1.0 1.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    75   0.15000  1.0 3.0
   66    65    68    78   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    75   0.34400  1.0 1.0
   67    65    68    75   0.09450 -1.0 2.0
   67    65    68    75   0.11100  1.0 3.0
   67    65    68    78   0.61850  1.0 1.0
   67    65    68    78  -0.22750 -1.0 2.0
   67    65    68    78   0.15300  1.0 3.0
   67    70   -79    59   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   71    70    79    59   3.00000 -1.0 2.0
   79    59    65    66   0.23400  1.0 3.0
   79    59   -65    67   0.61850  1.0 1.0
   79    59   -65    67  -0.22750 -1.0 2.0
   79    59   -65    67   0.15300  1.0 3.0
   79    59    65    68   0.62750  1.0 1.0
   79    59    65    68  -0.30950 -1.0 2.0
   79    59    65    68   0.27300  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    79  -0.56150  1.0 1.0
   72    67    70    79   2.19150 -1.0 2.0
   68    65    67    70   0.09700  1.0 1.0
   68    65    67    70   0.15600 -1.0 2.0
   68    65    67    70  -0.50800  1.0 3.0
   68    65    67    72   0.09850  1.0 1.0
   68    65    67    72   0.15250 -1.0 2.0
   68    65    67    72  -0.50650  1.0 3.0
   68    75    41    33   0.56750  1.0 1.0
   68    75    41    33  -0.07550 -1.0 2.0
   68    75    41    33   0.20000  1.0 3.0
   68    75    41    42   0.62750  1.0 1.0
   68    75    41    42  -0.30950 -1.0 2.0
   68    75    41    42   0.27300  1.0 3.0
   68    75    41    45   0.56750  1.0 1.0
   68    75    41    45  -0.07550 -1.0 2.0
   68    75    41    45   0.20000  1.0 3.0
   68    78    80    81   3.00000 -1.0 2.0
   68    78    80    82   1.63150  1.0 1.0
   68    78    80    82   2.92000 -1.0 2.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    41   0.15000  1.0 3.0
   69    68    78    80   0.08050  1.0 3.0
   75    68    78    80  -0.25900  1.0 1.0
   75    68    78    80  -0.47000 -1.0 2.0
   75    68    78    80   0.11750  1.0 3.0
   75    41    45    46   0.15000  1.0 3.0
   75    41    45    47   0.15000  1.0 3.0
   75    41    45    48   0.15000  1.0 3.0
   76    75    41    33   0.15000  1.0 3.0
   76    75    41    42   0.23400  1.0 3.0
   76    75    41    45   0.15000  1.0 3.0
   77    75    41    33   0.15000  1.0 3.0
   77    75    41    42   0.23400  1.0 3.0
   77    75    41    45   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    45    46   0.23400  1.0 3.0
   42    41    45    47   0.23400  1.0 3.0
   42    41    45    48   0.23400  1.0 3.0
   78    68    75    76   0.23400  1.0 3.0
   78    68    75    77   0.23400  1.0 3.0
   78    68    75    41   0.62750  1.0 1.0
   78    68    75    41  -0.30950 -1.0 2.0
   78    68    75    41   0.27300  1.0 3.0
   78    80    82    83   0.00000  1.0 1.0
   78    80    82    84   0.36750  1.0 3.0
   78    80    82    88   0.36750  1.0 3.0
   80    82    84    85  -0.11250  1.0 3.0
   80    82    84    86  -0.11250  1.0 3.0
   80    82    84    87  -0.11250  1.0 3.0
   80    82    88    89  -0.11250  1.0 3.0
   80    82    88    90  -0.11250  1.0 3.0
   80    82    88    91  -0.11250  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.30150 -1.0 2.0
   81    80    82    88   0.30150 -1.0 2.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    87   0.15000  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   83    82    88    91   0.15000  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   84    82    88    91   0.15000  1.0 3.0
   88    82    84    85   0.15000  1.0 3.0
   88    82    84    86   0.15000  1.0 3.0
   88    82    84    87   0.15000  1.0 3.0
   53    49    51    52   7.00000 -1.0 2.0
   53    49    51    59   7.00000 -1.0 2.0
   50    43    49    51   0.39000  1.0 1.0
   50    43    49    51  -0.05800 -1.0 2.0
   50    43    49    51  -0.55150  1.0 3.0
   50    43    49    53   0.09700  1.0 1.0
   50    43    49    53   0.15600 -1.0 2.0
   50    43    49    53  -0.50800  1.0 3.0
   50    57    61    62   0.00000  1.0 1.0
   50    57    61    63   0.00000  1.0 1.0
   50    57    61    64   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    64   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   43    53    49    51   1.10000 -1.0 2.0
   59    52    51    49   1.10000 -1.0 2.0
   65    70    67    72   1.10000 -1.0 2.0
   67    79    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   78    82    80    81  10.50000 -1.0 2.0
   50    61    57    58  10.50000 -1.0 2.0
END
