* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    163    244     477
    1     0 S   NP   _N1_     1    29.00454    93.52851   -24.00656
    2     1 S   H    _HN1     2     1.02779   106.28142   -96.26382
    3     1 S   H    _H1_     3     1.02954    90.80756    13.13709
    4     1 S   H    _H2_     4     1.02826    18.40021   165.87057
    5     1 S   CT   _CA1     5     1.50164   126.09171   129.28179
    6     5 S   HC   _HA1     6     1.09573   105.17661    70.89926
    7     5 S   CO3  _C1_     7     1.53818   112.30816   -49.24399
    8     7 S   O2Z  _O11     8     1.26381   115.00647   -43.21963
    9     7 S   O2Z  _O12     9     1.26238   114.92566   135.61002
   10     5 S   CT   _CB1    10     1.53057   107.36120  -171.19105
   11    10 S   HC   HB11    11     1.09831   109.37147   -49.26949
   12    10 S   HC   HB12    12     1.09822   110.40611    67.30579
   13    10 S   CT   _CG1    13     1.53011   112.70832  -170.29036
   14    13 S   HC   HG11    14     1.09593   110.48109   -64.18656
   15    13 S   HC   HG12    15     1.09653   109.97637    55.09775
   16    13 S   C    _CD1    16     1.51828   112.16011   175.42346
   17    16 S   O    _OE1    17     1.22762   123.23978     0.31837
   18    16 S   N    _N2_    18     1.38674   111.74625  -179.64612
   19    18 S   H    _HN2    19     1.01578   119.12737     1.65777
   20    18 S   CT1  _CA2    20     1.46202   123.19552  -179.16608
   21    20 S   HC   _HA2    21     1.09740   109.17176    -2.35750
   22    20 S   C    _C2_    22     1.53392   108.95660  -117.91817
   23    22 S   O    _O2_    23     1.23054   122.28406  -149.48250
   24    20 S   CT   _CB2    32     1.53392   111.78042   119.16209
   25    24 S   HC   HB21    33     1.09589   110.28181    60.41905
   26    24 S   HC   HB22    34     1.09494   109.98637   179.48149
   27    22 S   N    _N3_    24     1.38342   113.63949    38.10053
   28    27 S   H    _HN3    25     1.01619   119.47375    -3.83905
   29    24 S   S    _SG2    35     1.82560   111.30879   -59.92015
   30    27 S   CT   _CA3    26     1.45279   123.14119   176.86075
   31    30 S   HC   HA31    27     1.09553   107.54583   -63.25954
   32    30 S   HC   HA32    28     1.09559   107.92179    53.13960
   33    29 S   CT   _C19    36     1.85825   100.17875  -171.89281
   34    33 S   HC   _H3_    37     1.10062   101.62034   -20.07673
   35    30 S   CO3  _C3_    29     1.52935   114.15017   175.10715
   36    35 S   O2Z  _O31    30     1.26366   116.06934    -0.76923
   37    35 S   O2Z  _O32    31     1.26432   114.40758   179.28948
   38    33 S   CT   _C13    38     1.55916   114.37717    91.98713
   39    38 S   HC   _H35    39     1.10185   105.10756  -122.98935
   40    38 S   HC   _H36    40     1.08964   111.54110   128.94869
   41    33 S   CT   _C20    62     1.59440   116.61930  -132.88869
   42    41 S   OM   _O22    63     1.32450   110.76133    41.08415
   43    38 S   CT   _C16    41     1.54688   121.87061    -2.76980
   44    43 S   HC   _H40    42     1.09789   106.49726   -59.02857
   45    41 S   CT   _C24    64     1.55796   108.04459   156.15346
   46    45 S   HC   _H53    65     1.09842   112.11061   -56.99428
   47    45 S   HC   _H54    66     1.09885   112.06324  -177.43059
   48    45 S   HC   _H55    67     1.09607   111.27572    63.00947
   49    43 S   CM   _C5_    43     1.52593   122.12229    64.38192
   50    43 S   OS   _O28    83     1.45690   107.55760  -174.53930
   51    49 S   CM   _C4_    44     1.34973   129.44838    39.27191
   52    51 S   HC   _H30    45     1.09083   117.24054   179.29362
   53    49 S   CT   _C21    79     1.51605   112.68957  -143.62582
   54    53 S   HC   _H44    80     1.09527   110.08055   -57.60455
   55    53 S   HC   _H45    81     1.09515   112.78031  -177.55455
   56    53 S   HC   _H46    82     1.09457   110.54375    62.23338
   57    50 S   CO4  _C12    84     1.36220   118.14255    86.87323
   58    57 S   O    _O25    85     1.22304   126.54725    -0.30774
   59    51 S   CT   _C15    46     1.49753   129.77069     1.07101
   60    59 S   HC   _H39    47     1.08883   110.97948    10.79388
   61    57 S   CT   _C23    86     1.49841   109.42744   179.81129
   62    61 S   HC   _H50    87     1.09292   109.83315   -60.67939
   63    61 S   HC   _H51    88     1.09379   109.36596  -179.70591
   64    61 S   HC   _H52    89     1.09290   109.82252    61.23260
   65    59 S   CT   _C17    48     1.52917   113.41401  -118.42295
   66    65 S   HC   _H41    49     1.10086   109.39195   -46.87439
   67    65 S   CM   _C6_    50     1.49280    98.57596  -156.38237
   68    65 S   CT   _C18    57     1.53895   113.98083    73.86567
   69    68 S   HC   _H42    58     1.08521   106.53068   -59.49736
   70    67 S   CO4  _C7_    51     1.48408   107.08185    30.09313
   71    70 S   O    _O23    52     1.21727   127.13959   166.28781
   72    67 S   CM   _C8_    54     1.33493   131.11951  -148.65051
   73    72 S   HC   _H31    55     1.08412   121.37666    -0.85318
   74    72 S   HC   _H32    56     1.08526   121.53147   179.24153
   75    68 S   CT   _C14    59     1.54142   115.04129    62.61394
   76    75 S   HC   _H37    60     1.09436   109.92971   -12.89307
   77    75 S   HC   _H38    61     1.10199   108.38545   100.23125
   78    68 S   OS   _O27    68     1.44973   109.75626  -175.55900
   79    59 S   OS   _O26    53     1.44362   109.67131   126.00238
   80    78 S   CO4  _C11    69     1.35987   117.87819    85.42201
   81    80 S   O    _O24    70     1.22263   126.18486    -3.91287
   82    80 S   CM   _C10    71     1.48937   109.39734   176.10308
   83    82 S   CM   _C9_    72     1.34145   117.39002  -173.54348
   84    83 S   HC   _H33    73     1.08540   121.01078   179.76261
   85    83 S   HC   _H34    74     1.08561   122.50979     0.37430
   86    82 S   CT   _C22    75     1.49754   120.06530     6.36883
   87    86 S   HC   _H47    76     1.09498   110.64573   -61.87685
   88    86 S   HC   _H48    77     1.09498   110.54037    58.63809
   89    86 S   HC   _H49    78     1.09537   111.87763   178.31821
  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   5   1   9
   3   7   6   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    86  
    0  
   81    82    83    84    85    86    87    88    89  
   82    83    86  
   83    84    85    86    87    88    89  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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   320.000  1.462
   82    83   549.000  1.340
   82    86   317.000  1.510
   83    84   340.000  1.080
   83    85   340.000  1.080
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   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    90.00000  111.29400
   80    82    83    65.00000  118.96000
   80    82    86    65.00000  116.34900
   82    80    81    80.00000  123.72100
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   85    83    84    35.00000  117.00000
   86    82    83    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    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   2.00000 -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  -0.56150  1.0 1.0
   78    80    82    83   2.19150 -1.0 2.0
   78    80    82    86  -0.15000  1.0 1.0
   78    80    82    86   0.89550 -1.0 2.0
   78    80    82    86  -0.06900  1.0 3.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    85   7.00000 -1.0 2.0
   80    82    86    87   0.15000  1.0 3.0
   80    82    86    88   0.15000  1.0 3.0
   80    82    86    89   0.15000  1.0 3.0
   81    80    82    83   1.00000 -1.0 2.0
   81    80    82    86  -0.64400  1.0 1.0
   81    80    82    86   0.26850 -1.0 2.0
   83    82    86    87   0.00000  1.0 1.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86    89   0.00000  1.0 1.0
   86    82    83    84   7.00000 -1.0 2.0
   86    82    83    85   7.00000 -1.0 2.0
   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
    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
   37    30    35    36  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
   80    86    82    83  15.00000 -1.0 2.0
   84    85    83    82  15.00000 -1.0 2.0
   50    61    57    58  10.50000 -1.0 2.0
END
