* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    153    229     446
    1     0 S   NP   _N1_     1    29.53616    92.45948   -26.34544
    2     1 S   H    _HN1     2     1.02922   100.71642    -5.10308
    3     1 S   H    _H1_     3     1.02840     6.60833  -175.13784
    4     1 S   H    _H2_     4     1.02826   111.53004  -119.71575
    5     1 S   CT   _CA1     5     1.50104   113.02682   113.00396
    6     5 S   HC   _HA1     6     1.09567   105.16150    66.28533
    7     5 S   CO3  _C1_     7     1.53780   112.55418   -54.02672
    8     7 S   O2Z  _O11     8     1.26479   115.33778   -43.25204
    9     7 S   O2Z  _O12     9     1.26192   115.08479   136.00174
   10     5 S   CT   _CB1    10     1.53091   107.44878  -175.66198
   11    10 S   HC   HB11    11     1.09834   109.59819   -47.36606
   12    10 S   HC   HB12    12     1.09815   110.32909    69.27884
   13    10 S   CT   _CG1    13     1.53053   112.62134  -168.23704
   14    13 S   HC   HG11    14     1.09582   110.65100   -62.81807
   15    13 S   HC   HG12    15     1.09654   109.81468    56.44410
   16    13 S   C    _CD1    16     1.51836   112.10950   177.07504
   17    16 S   O    _OE1    17     1.22748   123.15345     7.68150
   18    16 S   N    _N2_    18     1.38666   111.83020  -173.05562
   19    18 S   H    _HN2    19     1.01580   119.07337     2.84943
   20    18 S   CT1  _CA2    20     1.46305   123.28054  -179.89913
   21    20 S   HC   _HA2    21     1.09738   109.24383    -0.44191
   22    20 S   C    _C2_    22     1.53441   108.82023  -116.02643
   23    22 S   O    _O2_    23     1.23048   122.24591  -148.99511
   24    20 S   CT   _CB2    32     1.53432   111.64301   121.25693
   25    24 S   HC   HB21    33     1.09581   109.96690    59.20916
   26    24 S   HC   HB22    34     1.09521   110.33494   178.37201
   27    22 S   N    _N3_    24     1.38321   113.65373    38.46712
   28    27 S   H    _HN3    25     1.01602   119.53928    -3.45360
   29    24 S   S    _SG2    35     1.82406   111.34471   -61.38101
   30    27 S   CT   _CA3    26     1.45285   123.20639   177.06115
   31    30 S   HC   HA31    27     1.09549   107.51693   -64.34326
   32    30 S   HC   HA32    28     1.09557   107.97448    52.08923
   33    29 S   CT   _C11    36     1.81536    99.39372  -179.42665
   34    33 S   F    F1__    37     1.35874   109.68253    73.76235
   35    33 S   F    F2__    38     1.35858   110.81938   -43.48255
   36    30 S   CO3  _C3_    29     1.52955   114.08432   174.08179
   37    36 S   O2Z  _O31    30     1.26374   116.06209    -0.67897
   38    36 S   O2Z  _O32    31     1.26427   114.41723   179.38198
   39    33 S   CT   _C10    39     1.52466   111.54191  -165.37848
   40    39 S   HC   _H7_    40     1.09767   109.36979   -58.29801
   41    39 S   HC   _H8_    41     1.09615   109.24360  -176.89739
   42    39 S   OS   _O33    42     1.42942   108.70659    64.94027
   43    42 S   CA   _C9_    43     1.36599   117.19326  -156.75180
   44    43 S   CA   _C4_    44     1.39238   125.69431   -20.83998
   45    44 S   HA   _H4_    45     1.08605   121.58161    -1.03458
   46    44 S   CA   _C5_    46     1.40042   120.19465   179.39542
   47    46 S   HA   _H5_    47     1.08606   117.30358  -179.49642
   48    46 S   CA   _C6_    48     1.40017   120.88495     0.16071
   49    48 S   CA   _C7_    49     1.40547   118.67960     0.75511
   50    48 S   OS   _O35    76     1.36979   124.42734  -177.95713
   51    43 S   CA   _C8_    50     1.39608   114.87450   160.23035
   52    51 S   HA   _H6_    51     1.08813   118.74332     1.49972
   53    49 S   C    _C12    52     1.48751   120.91582   178.79601
   54    53 S   O    _O34    53     1.22642   120.30044   -41.15419
   55    50 S   CT3  _C19    77     1.42685   117.92508    -2.19687
   56    55 S   HC   _H22    78     1.09584   110.20361    61.52359
   57    55 S   HC   _H23    79     1.09587   110.26059   -60.24198
   58    53 S   N    _N4_    54     1.38565   114.95500   138.44299
   59    58 S   H    _H9_    55     1.01531   120.21355    -1.24678
   60    55 S   CT   _C20    80     1.51255   108.30669  -179.44822
   61    60 S   F    F3__    81     1.35029   111.32629   -60.00310
   62    60 S   F    F4__    82     1.35158   110.50746  -179.55854
   63    60 S   F    F5__    83     1.34973   111.42578    60.78427
   64    58 S   CT   _C13    56     1.45312   122.44700   178.70366
   65    64 S   HC   _H10    57     1.09433   106.93008  -156.58608
   66    64 S   HC   _H11    58     1.09598   108.34896   -40.61504
   67    64 S   CT   _C14    59     1.53090   112.45159    81.04841
   68    67 S   HC   _H3_    60     1.09672   110.49398   -59.45965
   69    67 S   CT   _C15    61     1.52940   111.72064   176.64754
   70    69 S   HC   _H12    62     1.09633   109.81186    63.79405
   71    69 S   HC   _H13    63     1.09786   110.06615   -53.48351
   72    69 S   CT   _C16    64     1.52759   111.68980  -174.76194
   73    72 S   HC   _H14    65     1.09698   109.40226   -66.98287
   74    72 S   HC   _H15    66     1.09574   109.73978   175.91802
   75    72 S   CT   _C17    67     1.52654   111.41982    54.15361
   76    75 S   HC   _H16    68     1.09726   109.31254    67.38756
   77    75 S   HC   _H17    69     1.09564   109.68305  -175.70463
   78    75 S   CT   _C18    70     1.51999   111.57560   -53.98533
   79    78 S   HC   _H18    71     1.09388   111.54485   172.89240
   80    78 S   HC   _H19    72     1.09489   112.16429   -64.10569
   81    67 S   NP   _N5_    73     1.50348   108.99278    56.79753
   82    81 S   H    _H20    74     1.03591   109.88003    56.99190
   83    81 S   H    _H21    75     1.02889   108.84082   -57.68577
  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   7   5   4   3
   7   5   4   2   1   1   6   3   2   7   9   8   4   7   3  11
   9   9   4   1   7   3   6   5   4   8   4   3   2   1   1  12
   5   4  14   8  12   6   5   9   5   4   8   5   4   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    51  
   41    42    43  
   42    43  
   43    44    45    46    49    51    52  
   44    45    46    47    48    49    51    52    53  
   45    46    47    48    49    51    52    50  
   46    47    48    51  
   47    48    49    51    53    50    55  
   48    49    50  
   49    51    52    53    54    58    50    55    56    57    60  
   51    52    53    54    58    59    64    50    55  
   55    56    57    60    61    62    63    51    53  
   52    53    54    58  
   53  
   54    58    59    64    65    66    67  
   58    59    64  
   56    57    60    61    62    63  
   57    60    61    62    63  
   60    61    62    63  
   59    64    65    66    67    68    69    81  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    78    81    82    83  
   66    67    68    69    81  
   67    68    69    81  
   68    69    70    71    72    73    74    75    78    79    80    81    82    83  
   69    70    71    72    78    81    82    83  
   70    71    72    73    74    75    76    77    78    81    82    83  
   71    72    73    74    75    81  
   72    73    74    75    81  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   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  -0.175000   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   3.2500   0.0620   0.247500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.307500   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   55   3.5000   0.0660   0.142300   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.082500   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.082500   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2500   0.0620   0.532300   1.9750   1.7500   0.005000000  -0.741685710
   61   2.9400   0.0610  -0.205700   2.4980   2.2250   0.001000000   0.985400000
   62   2.9400   0.0610  -0.205700   2.4980   2.2250   0.001000000   0.985400000
   63   2.9400   0.0610  -0.205700   2.4980   2.2250   0.001000000   0.985400000
   64   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.310000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   320.000  1.410
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    51   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   450.000  1.364
   49    51   469.000  1.400
   49    53   400.000  1.490
   51    52   367.000  1.080
   53    54   570.000  1.229
   53    58   490.000  1.335
   58    59   434.000  1.010
   58    64   337.000  1.449
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    81   367.000  1.471
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   367.000  1.471
   81    82   434.000  1.010
   81    83   434.000  1.010
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   367.000  1.332
   60    62   367.000  1.332
   60    63   367.000  1.332
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    50.00000  109.50000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    42    43    75.00000  111.00000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    51    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    51    49    63.00000  120.00000
   43    51    52    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    85.00000  120.00000
   48    50    55    75.00000  111.00000
   49    51    52    35.00000  120.00000
   49    53    54    80.00000  120.40000
   49    53    58    75.00000  113.92100
   51    43    44    63.00000  120.00000
   53    49    51    85.00000  120.00000
   53    58    59    35.00000  119.80000
   53    58    64    50.00000  121.90000
   58    53    54    80.00000  122.90000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  110.72300
   64    58    59    38.00000  118.40000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    81    80.00000  111.20000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    72    58.35000  112.70000
   67    81    78    75.00000  113.01200
   67    81    82    35.00000  109.50000
   67    81    83    35.00000  109.50000
   69    67    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    67    68    35.00000  109.50000
   81    67    69    80.00000  111.20000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    35.00000  109.50000
   50    48    49    70.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    60    50.00000  109.50000
   55    60    61    50.00000  109.50000
   55    60    62    50.00000  109.50000
   55    60    63    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   62    60    61    77.00000  109.10000
   63    60    61    77.00000  109.10000
   63    60    62    77.00000  109.10000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43  -0.32850  1.0 1.0
   33    39    42    43  -0.35800 -1.0 2.0
   33    39    42    43   0.33950  1.0 3.0
   34    33    39    40   0.22100  1.0 3.0
   34    33    39    41   0.22100  1.0 3.0
   34    33    39    42   0.51850  1.0 1.0
   34    33    39    42  -0.72850 -1.0 2.0
   35    33    39    40   0.22100  1.0 3.0
   35    33    39    41   0.22100  1.0 3.0
   35    33    39    42   0.51850  1.0 1.0
   35    33    39    42  -0.72850 -1.0 2.0
   39    42    43    44   1.63200 -1.0 2.0
   39    42    43    51   1.63200 -1.0 2.0
   40    39    42    43   0.08050  1.0 3.0
   41    39    42    43   0.08050  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    51    49   3.62500 -1.0 2.0
   42    43    51    52   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    51    49   3.62500 -1.0 2.0
   44    43    51    52   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    55   1.63200 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    43   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    54   1.05000 -1.0 2.0
   48    49    53    58   0.75700  1.0 1.0
   48    49    53    58   0.34650 -1.0 2.0
   48    49    53    58   0.33000  1.0 3.0
   48    49    53    58  -0.28100 -1.0 4.0
   48    50    55    56   0.08050  1.0 3.0
   48    50    55    57   0.08050  1.0 3.0
   48    50    55    60  -0.32850  1.0 1.0
   48    50    55    60  -0.35800 -1.0 2.0
   48    50    55    60   0.33950  1.0 3.0
   49    48    50    55   1.63200 -1.0 2.0
   49    53    58    59   2.56700 -1.0 2.0
   49    53    58    64   1.49850  1.0 1.0
   49    53    58    64   1.53950 -1.0 2.0
   51    43    44    45   3.62500 -1.0 2.0
   51    43   -44    46   3.62500 -1.0 2.0
   51    49    53    54   1.05000 -1.0 2.0
   51    49    53    58   0.75700  1.0 1.0
   51    49    53    58   0.34650 -1.0 2.0
   51    49    53    58   0.33000  1.0 3.0
   51    49    53    58  -0.28100 -1.0 4.0
   53    49    51    43   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    58    64    65   0.00000  1.0 1.0
   53    58    64    66   0.00000  1.0 1.0
   53    58    64    67  -0.43950  1.0 1.0
   53    58    64    67  -0.08100 -1.0 2.0
   53    58    64    67   0.03350  1.0 3.0
   54    53    58    59   2.45000 -1.0 2.0
   54    53    58    64   3.04450 -1.0 2.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.43900  1.0 1.0
   58    64    67    69   0.49100 -1.0 2.0
   58    64    67    69   0.28400  1.0 3.0
   58    64    67    81   3.05550  1.0 1.0
   58    64    67    81   2.44300 -1.0 2.0
   58    64    67    81   0.51100  1.0 3.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    66   0.00000  1.0 1.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    72   0.56750  1.0 1.0
   64    67    69    72  -0.07550 -1.0 2.0
   64    67    69    72   0.20000  1.0 3.0
   64    67    81    78   0.47100  1.0 1.0
   64    67    81    82   0.17350  1.0 3.0
   64    67    81    83   0.17350  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    81   0.19200  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    81   0.19200  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69    72    75   0.56750  1.0 1.0
   67    69    72    75  -0.07550 -1.0 2.0
   67    69    72    75   0.20000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    81    78   0.15000  1.0 3.0
   68    67    81    82   0.13050  1.0 3.0
   68    67    81    83   0.13050  1.0 3.0
   69    67    81    78   0.47100  1.0 1.0
   69    67    81    82   0.17350  1.0 3.0
   69    67    81    83   0.17350  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72   -75    78   0.56750  1.0 1.0
   69    72   -75    78  -0.07550 -1.0 2.0
   69    72   -75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   1.36600  1.0 1.0
   72    75    78    81  -0.11450 -1.0 2.0
   72    75    78    81   0.24250  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78   -81    67   0.47100  1.0 1.0
   75    78    81    82   0.17350  1.0 3.0
   75    78    81    83   0.17350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.19200  1.0 3.0
   79    78    81    67   0.15000  1.0 3.0
   79    78    81    82   0.13050  1.0 3.0
   79    78    81    83   0.13050  1.0 3.0
   80    78    81    67   0.15000  1.0 3.0
   80    78    81    82   0.13050  1.0 3.0
   80    78    81    83   0.13050  1.0 3.0
   81    67    69    70   0.19200  1.0 3.0
   81    67    69    71   0.19200  1.0 3.0
   81    67   -69    72   1.36600  1.0 1.0
   81    67   -69    72  -0.11450 -1.0 2.0
   81    67   -69    72   0.24250  1.0 3.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48    49    53   3.62500 -1.0 2.0
   50    55    60    61   0.51850  1.0 1.0
   50    55    60    61  -0.72850 -1.0 2.0
   50    55    60    62   0.51850  1.0 1.0
   50    55    60    62  -0.72850 -1.0 2.0
   50    55    60    63   0.51850  1.0 1.0
   50    55    60    63  -0.72850 -1.0 2.0
   56    55    60    61   0.03200  1.0 3.0
   56    55    60    62   0.03200  1.0 3.0
   56    55    60    63   0.03200  1.0 3.0
   57    55    60    61   0.03200  1.0 3.0
   57    55    60    62   0.03200  1.0 3.0
   57    55    60    63   0.03200  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
   37    30    36    38  10.50000 -1.0 2.0
   44    51    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    43   1.10000 -1.0 2.0
   49    58    53    54  10.50000 -1.0 2.0
   59    53    58    64   1.00000 -1.0 2.0
END
