* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    30.47673    92.12594   -16.98951
    2     1 S   H    _HN1     2     1.02724   104.39161   -20.87726
    3     1 S   H    _H1_     3     1.03586   134.55601   112.13681
    4     1 S   H    _H2_     4     1.02740    30.58837    81.09824
    5     1 S   CT   _CA1     5     1.50567    86.08646  -132.80222
    6     5 S   HC   _HA1     6     1.09628   105.00309    47.72088
    7     5 S   CO3  _C1_     7     1.53907   113.10594   -70.63266
    8     7 S   O2Z  _O11     8     1.26331   115.52014   -30.50810
    9     7 S   O2Z  _O12     9     1.26348   114.83096   148.10525
   10     5 S   CT   _CB1    10     1.52858   106.32767   164.24239
   11    10 S   HC   HB11    11     1.09901   108.81176   -63.25210
   12    10 S   HC   HB12    12     1.09279   109.54550    51.30006
   13    10 S   CT   _CG1    13     1.52807   115.31783   174.31121
   14    13 S   HC   HG11    14     1.09548   111.40281   -63.82329
   15    13 S   HC   HG12    15     1.09544   110.68149    56.31391
   16    13 S   C    _CD1    16     1.51571   109.82193   176.27364
   17    16 S   O    _OE1    17     1.22875   121.77731  -109.78145
   18    16 S   N    _N2_    18     1.38472   112.96110    68.85678
   19    18 S   H    _HN2    19     1.01974   119.44442     5.96670
   20    18 S   CT1  _CA2    20     1.45774   122.93509  -173.93111
   21    20 S   HC   _HA2    21     1.09705   109.54721    21.26122
   22    20 S   C    _C2_    22     1.52708   105.58324   -96.35852
   23    22 S   O    _O2_    23     1.22940   122.61937   -85.77245
   24    20 S   CT   _CB2    32     1.53397   111.60352   143.24863
   25    24 S   HC   HB21    33     1.09490   110.52659    56.43266
   26    24 S   HC   HB22    34     1.09530   109.55967   175.69297
   27    22 S   N    _N3_    24     1.38608   112.70159    90.41755
   28    27 S   H    _HN3    25     1.01552   119.48343     2.81661
   29    24 S   S    _SG2    35     1.82834   110.87051   -63.83484
   30    27 S   CT   _CA3    26     1.45451   123.06759   179.59266
   31    30 S   HC   HA31    27     1.09535   109.00076    28.79727
   32    30 S   HC   HA32    28     1.09490   107.13094   145.78104
   33    29 S   CT   _C7_    36     1.84405   100.57946  -165.31962
   34    33 S   HC   _H6_    37     1.09747   105.51608    59.84632
   35    30 S   CO3  _C3_    29     1.52997   113.63407   -94.43528
   36    35 S   O2Z  _O31    30     1.26375   115.74859   -35.97665
   37    35 S   O2Z  _O32    31     1.26417   114.78342   145.03116
   38    33 S   CT   _C8_    38     1.55076   109.33057   175.28462
   39    38 S   HC   _H7_    39     1.09650   108.20107   -58.15390
   40    38 S   CT   _C9_    40     1.54324   110.92100  -177.74467
   41    40 S   HC   _H8_    41     1.09584   109.53051  -173.29993
   42    38 S   OS   _O37    77     1.42614   110.66371    61.02419
   43    40 S   CT   _C4_    42     1.53944   112.70396   -52.67711
   44    43 S   HC   _H3_    43     1.09543   108.90455   171.03926
   45    40 S   OS   _O33    71     1.42861   108.90604    66.81959
   46    42 S   P1   _P2_    78     1.61256   119.65971  -144.64957
   47    46 S   O2Z  _O38    79     1.49897   115.59325   -55.54537
   48    43 S   CT   _C5_    44     1.53785   110.93138    52.20453
   49    48 S   HC   _H4_    45     1.09787   108.33488    64.16309
   50    43 S   OS   _O52    65     1.42601   109.56727   -69.71809
   51    45 S   P2   _P1_    72     1.63000   119.27138    94.47901
   52    51 S   O2Z  _O36    73     1.51096   109.71842   -68.73446
   53    51 S   O2Z  _O34    74     1.51070   109.48449    66.71493
   54    46 S   OS   _O39    80     1.61324   103.73285   178.75149
   55    54 S   HO   _H10    81     0.97855   117.87852   163.41496
   56    46 S   OS   _O40    82     1.61405   104.58758    71.09471
   57    56 S   HO   _H11    83     0.97879   117.64557  -167.55647
   58    33 S   CT   _C6_    46     1.54390   113.56091   -58.52512
   59    58 S   HC   _H5_    47     1.09497   109.95959    60.93520
   60    48 S   OS   _O48    59     1.42310   110.70454  -177.80849
   61    50 S   P2   _P6_    66     1.63118   120.08305  -111.12544
   62    61 S   O2Z  _O55    67     1.51240   108.55193   177.33817
   63    61 S   O2Z  _O53    68     1.51162   109.92909    43.53939
   64    51 S   OS   _O35    75     1.63081    98.13565   178.57550
   65    64 S   HO   _H9_    76     0.97886   115.88819   -79.70722
   66    58 S   OS   _O41    48     1.42713   109.83493   -58.32215
   67    60 S   P2   _P5_    60     1.62789   119.71797   -90.23913
   68    67 S   O2Z  _O51    61     1.51117   109.46691   -65.58409
   69    67 S   O2Z  _O49    62     1.51195   109.50156    69.66744
   70    61 S   OS   _O54    69     1.63073    99.48384   -69.93749
   71    70 S   HO   _H15    70     0.98351   116.75455    73.35896
   72    66 S   P1   _P3_    49     1.61498   120.56021   152.26590
   73    72 S   O2Z  _O42    50     1.50065   116.28888   -25.39391
   74    67 S   OS   _O50    63     1.63045    98.10703  -178.48173
   75    74 S   HO   _H14    64     0.97911   115.83230   -76.79338
   76    72 S   OS   _O43    51     1.61529   103.75627   100.73030
   77    76 S   HO   _H12    52     0.97818   117.74006  -171.16262
   78    72 S   OS   _O44    53     1.61117   104.21093  -152.71860
   79    78 S   P2   _P4_    54     1.62326   130.13162    57.78378
   80    79 S   O2Z  _O47    55     1.51159   109.39779    37.70820
   81    79 S   O2Z  _O45    56     1.51242   109.30821   -97.53427
   82    79 S   OS   _O46    57     1.63021    98.66044   150.30730
   83    82 S   HO   _H13    58     0.98448   115.28928   179.62622
  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
  16   8   2   1   1  17   7  16   7   9  15   7   7   5   4  12
   6   7   4   3   2   3   1   1   1   8   3   6   4   3   2   1
   1   6   4   3   2   1   1   8   4   1   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    58    59    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    58    59    66    72    60    45    42    46  
   38    39    40    48    58    59    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    48    58    59    66    50    45    51    42    46    47    54    56  
   40    41    43    58    45    42    46  
   41    43    44    48    49    58    60    50    61    45    51    52    53    64    42    46  
   43    44    48    50    45    51    42  
   46    47    54    55    56    57    43    45    58  
   44    48    49    58    59    66    60    67    50    61    62    63    70    45    51  
   48    49    58    60    50    61    45  
   51    52    53    64    65    48    50  
   47    54    55    56    57  
   54    55    56    57  
   49    58    59    66    72    60    67    68    69    74    50    61  
   58    59    66    60    67    50  
   61    62    63    70    71    58    60  
   52    53    64    65  
   53    64    65  
   64    65  
   55    56    57  
   56  
   57  
    0  
   59    66    72    73    76    78    60    67  
   66    72    60  
   67    68    69    74    75    66  
   62    63    70    71  
   63    70    71  
   70    71  
   65  
    0  
   72    73    76    77    78    79  
   68    69    74    75  
   69    74    75  
   74    75  
   71  
    0  
   73    76    77    78    79    80    81    82  
   76    77    78    79  
   75  
    0  
   77    78    79  
   78  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   73   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   74   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.8500   0.1400  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   79   3.7400   0.2000   1.565000   2.1070   1.8700   0.005000000   0.000000000
   80   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   320.000  1.410
   48    49   340.000  1.090
   48    58   268.000  1.529
   48    60   320.000  1.410
   58    59   340.000  1.090
   58    66   320.000  1.410
   66    72   405.000  1.623
   72    73   675.000  1.490
   72    76   405.000  1.623
   72    78   405.000  1.623
   76    77   553.000  0.945
   78    79   230.000  1.697
   79    80   525.000  1.480
   79    81   525.000  1.480
   79    82   230.000  1.697
   82    83   553.000  0.945
   60    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    74   230.000  1.697
   74    75   553.000  0.945
   50    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    70   230.000  1.697
   70    71   553.000  0.945
   45    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    64   230.000  1.697
   64    65   553.000  0.945
   42    46   405.000  1.623
   46    47   675.000  1.490
   46    54   405.000  1.623
   46    56   405.000  1.623
   54    55   553.000  0.945
   56    57   553.000  0.945
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    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    48    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    66    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    75.00000  119.24600
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    58.35000  112.70000
   40    43    50    50.00000  109.50000
   40    45    51   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    58    58.35000  112.70000
   43    48    60    50.00000  109.50000
   43    50    61   100.00000  120.50000
   48    43    44    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    66    50.00000  109.50000
   48    60    67   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    48    49    37.50000  110.70000
   58    66    72    75.00000  119.24600
   66    58    59    35.00000  109.50000
   66    72    73   100.00000  115.86100
   66    72    76   120.00000  102.38000
   66    72    78   120.00000  102.38000
   72    76    77    50.00000  113.86100
   72    78    79    55.00000  126.09000
   76    72    73   100.00000  115.86100
   78    72    73   100.00000  115.86100
   78    72    76   120.00000  102.38000
   78    79    80   100.00000  108.23000
   78    79    81   100.00000  108.23000
   78    79    82    45.00000  102.60000
   79    82    83    45.00000  108.50000
   81    79    80   140.00000  119.90000
   82    79    80   100.00000  108.23000
   82    79    81   100.00000  108.23000
   60    48    49    35.00000  109.50000
   60    48    58    50.00000  109.50000
   60    67    68   100.00000  108.23000
   60    67    69   100.00000  108.23000
   60    67    74    45.00000  102.60000
   67    74    75    45.00000  108.50000
   69    67    68   140.00000  119.90000
   74    67    68   100.00000  108.23000
   74    67    69   100.00000  108.23000
   50    43    44    35.00000  109.50000
   50    43    48    50.00000  109.50000
   50    61    62   100.00000  108.23000
   50    61    63   100.00000  108.23000
   50    61    70    45.00000  102.60000
   61    70    71    45.00000  108.50000
   63    61    62   140.00000  119.90000
   70    61    62   100.00000  108.23000
   70    61    63   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    51    52   100.00000  108.23000
   45    51    53   100.00000  108.23000
   45    51    64    45.00000  102.60000
   51    64    65    45.00000  108.50000
   53    51    52   140.00000  119.90000
   64    51    52   100.00000  108.23000
   64    51    53   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  115.86100
   42    46    54   120.00000  102.38000
   42    46    56   120.00000  102.38000
   46    54    55    50.00000  113.86100
   46    56    57    50.00000  113.86100
   54    46    47   100.00000  115.86100
   56    46    47   100.00000  115.86100
   56    46    54   120.00000  102.38000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    48   0.44750  1.0 1.0
   29    33    58    48  -0.17800 -1.0 2.0
   29    33    58    48   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    66   0.56750  1.0 1.0
   29    33    58    66  -0.07550 -1.0 2.0
   29    33    58    66   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    66    72  -2.65550  1.0 1.0
   33    58    66    72  -0.22350 -1.0 2.0
   33    58    66    72   0.24150  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    42   0.23400  1.0 3.0
   34    33    58    48   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    66   0.23400  1.0 3.0
   38    33    58    48   0.56750  1.0 1.0
   38    33    58    48  -0.07550 -1.0 2.0
   38    33    58    48   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    66   0.62750  1.0 1.0
   38    33    58    66  -0.30950 -1.0 2.0
   38    33    58    66   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    48   0.56750  1.0 1.0
   38    40   -43    48  -0.07550 -1.0 2.0
   38    40   -43    48   0.20000  1.0 3.0
   38    40    43    50   0.62750  1.0 1.0
   38    40    43    50  -0.30950 -1.0 2.0
   38    40    43    50   0.27300  1.0 3.0
   38    40    45    51  -2.65550  1.0 1.0
   38    40    45    51  -0.22350 -1.0 2.0
   38    40    45    51   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    54   0.91800  1.0 1.0
   38    42    46    54   0.22900 -1.0 2.0
   38    42    46    54   0.32050  1.0 3.0
   38    42    46    56   0.91800  1.0 1.0
   38    42    46    56   0.22900 -1.0 2.0
   38    42    46    56   0.32050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    58   0.56750  1.0 1.0
   40    43    48    58  -0.07550 -1.0 2.0
   40    43    48    58   0.20000  1.0 3.0
   40    43    48    60   0.62750  1.0 1.0
   40    43    48    60  -0.30950 -1.0 2.0
   40    43    48    60   0.27300  1.0 3.0
   40    43    50    61  -2.65550  1.0 1.0
   40    43    50    61  -0.22350 -1.0 2.0
   40    43    50    61   0.24150  1.0 3.0
   40    45    51    52   0.00000  1.0 1.0
   40    45    51    53   0.00000  1.0 1.0
   40    45    51    64   0.05050  1.0 1.0
   40    45    51    64  -1.30700 -1.0 2.0
   40    45    51    64   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    51   0.03000  1.0 3.0
   43    40    45    51  -2.65550  1.0 1.0
   43    40    45    51  -0.22350 -1.0 2.0
   43    40    45    51   0.24150  1.0 3.0
   43    48   -58    33   0.56750  1.0 1.0
   43    48   -58    33  -0.07550 -1.0 2.0
   43    48   -58    33   0.20000  1.0 3.0
   43    48    58    59   0.15000  1.0 3.0
   43    48    58    66   0.62750  1.0 1.0
   43    48    58    66  -0.30950 -1.0 2.0
   43    48    58    66   0.27300  1.0 3.0
   43    48    60    67  -2.65550  1.0 1.0
   43    48    60    67  -0.22350 -1.0 2.0
   43    48    60    67   0.24150  1.0 3.0
   43    50    61    62   0.00000  1.0 1.0
   43    50    61    63   0.00000  1.0 1.0
   43    50    61    70   0.05050  1.0 1.0
   43    50    61    70  -1.30700 -1.0 2.0
   43    50    61    70   0.91550  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    58   0.15000  1.0 3.0
   44    43    48    60   0.23400  1.0 3.0
   44    43    50    61   0.03000  1.0 3.0
   48    43    50    61  -2.65550  1.0 1.0
   48    43    50    61  -0.22350 -1.0 2.0
   48    43    50    61   0.24150  1.0 3.0
   48    58    66    72  -2.65550  1.0 1.0
   48    58    66    72  -0.22350 -1.0 2.0
   48    58    66    72   0.24150  1.0 3.0
   48    60    67    68   0.00000  1.0 1.0
   48    60    67    69   0.00000  1.0 1.0
   48    60    67    74   0.05050  1.0 1.0
   48    60    67    74  -1.30700 -1.0 2.0
   48    60    67    74   0.91550  1.0 3.0
   49    48    58    33   0.15000  1.0 3.0
   49    48    58    59   0.15000  1.0 3.0
   49    48    58    66   0.23400  1.0 3.0
   49    48    60    67   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    48    60    67  -2.65550  1.0 1.0
   58    48    60    67  -0.22350 -1.0 2.0
   58    48    60    67   0.24150  1.0 3.0
   58    66    72    73   0.00000  1.0 1.0
   58    66    72    76   0.91800  1.0 1.0
   58    66    72    76   0.22900 -1.0 2.0
   58    66    72    76   0.32050  1.0 3.0
   58    66    72    78   0.91800  1.0 1.0
   58    66    72    78   0.22900 -1.0 2.0
   58    66    72    78   0.32050  1.0 3.0
   59    58    66    72   0.03000  1.0 3.0
   66    72    76    77  -0.22900  1.0 1.0
   66    72    76    77   0.09450 -1.0 2.0
   66    72    76    77  -0.07800  1.0 3.0
   66    72    78    79   0.88300  1.0 1.0
   66    72    78    79   0.16450 -1.0 2.0
   66    72    78    79   0.32850  1.0 3.0
   72    78    79    80   0.50000  1.0 3.0
   72    78    79    81   0.50000  1.0 3.0
   72    78    79    82   0.15000  1.0 3.0
   73    72    76    77   0.00000  1.0 1.0
   73    72    78    79   0.50000  1.0 3.0
   76    72    78    79   0.88300  1.0 1.0
   76    72    78    79   0.16450 -1.0 2.0
   76    72    78    79   0.32850  1.0 3.0
   78    72    76    77  -0.22900  1.0 1.0
   78    72    76    77   0.09450 -1.0 2.0
   78    72    76    77  -0.07800  1.0 3.0
   78    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   60    48    58    33   0.62750  1.0 1.0
   60    48    58    33  -0.30950 -1.0 2.0
   60    48    58    33   0.27300  1.0 3.0
   60    48    58    59   0.23400  1.0 3.0
   60    48    58    66   1.11900  1.0 1.0
   60    48    58    66  -1.16350 -1.0 2.0
   60    48    58    66  -0.34150  1.0 3.0
   60    67    74    75   0.00000  1.0 1.0
   68    67    74    75   0.00000  1.0 1.0
   69    67    74    75   0.00000  1.0 1.0
   50    43    48    49   0.23400  1.0 3.0
   50    43    48    58   0.62750  1.0 1.0
   50    43    48    58  -0.30950 -1.0 2.0
   50    43    48    58   0.27300  1.0 3.0
   50    43    48    60   1.11900  1.0 1.0
   50    43    48    60  -1.16350 -1.0 2.0
   50    43    48    60  -0.34150  1.0 3.0
   50    61    70    71   0.00000  1.0 1.0
   62    61    70    71   0.00000  1.0 1.0
   63    61    70    71   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    48   0.62750  1.0 1.0
   45    40    43    48  -0.30950 -1.0 2.0
   45    40    43    48   0.27300  1.0 3.0
   45    40    43    50   1.11900  1.0 1.0
   45    40    43    50  -1.16350 -1.0 2.0
   45    40    43    50  -0.34150  1.0 3.0
   45    51    64    65   0.00000  1.0 1.0
   52    51    64    65   0.00000  1.0 1.0
   53    51    64    65   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    54    55  -0.22900  1.0 1.0
   42    46    54    55   0.09450 -1.0 2.0
   42    46    54    55  -0.07800  1.0 3.0
   42    46    56    57  -0.22900  1.0 1.0
   42    46    56    57   0.09450 -1.0 2.0
   42    46    56    57  -0.07800  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    56    57   0.00000  1.0 1.0
   54    46    56    57  -0.22900  1.0 1.0
   54    46    56    57   0.09450 -1.0 2.0
   54    46    56    57  -0.07800  1.0 3.0
   56    46    54    55  -0.22900  1.0 1.0
   56    46    54    55   0.09450 -1.0 2.0
   56    46    54    55  -0.07800  1.0 3.0
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
END
