* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    214     433
    1     0 S   NP   _N1_     1    29.80595    95.92097   -25.22534
    2     1 S   H    _HN1     2     1.02952    73.36094     2.31520
    3     1 S   H    _H1_     3     1.02829    33.72661  -179.07338
    4     1 S   H    _H2_     4     1.02788   118.63289   -99.87497
    5     1 S   CT   _CA1     5     1.50113   124.63228   105.95210
    6     5 S   HC   _HA1     6     1.09574   105.20059    94.18113
    7     5 S   CO3  _C1_     7     1.53781   112.45726   -26.05585
    8     7 S   O2Z  _O11     8     1.26370   115.00826   -42.91853
    9     7 S   O2Z  _O12     9     1.26242   114.93957   136.21736
   10     5 S   CT   _CB1    10     1.53070   107.41326  -147.85816
   11    10 S   HC   HB11    11     1.09835   109.34860   -49.94173
   12    10 S   HC   HB12    12     1.09815   110.44995    66.64647
   13    10 S   CT   _CG1    13     1.52997   112.63151  -170.94004
   14    13 S   HC   HG11    14     1.09582   110.61849   -65.62753
   15    13 S   HC   HG12    15     1.09666   109.82066    53.63125
   16    13 S   C    _CD1    16     1.51776   112.18883   174.04813
   17    16 S   O    _OE1    17     1.22738   123.26843     5.92036
   18    16 S   N    _N2_    18     1.38663   111.72272  -174.10655
   19    18 S   H    _HN2    19     1.01585   118.97045     2.04497
   20    18 S   CT1  _CA2    20     1.46088   123.27370   177.58621
   21    20 S   HC   _HA2    21     1.09582   109.39797     3.23694
   22    20 S   C    _C2_    22     1.53401   108.01371  -111.80220
   23    22 S   O    _O2_    23     1.22999   122.44131  -140.13328
   24    20 S   CTL  _CB2    32     1.53233   111.89829   125.99079
   25    24 S   HC   HB21    33     1.09669   109.69384    62.50828
   26    24 S   HC   HB22    34     1.09586   110.69284   179.49837
   27    22 S   N    _N3_    24     1.38370   113.31610    46.69674
   28    27 S   H    _HN3    25     1.01553   119.42831    -5.73303
   29    24 S   S    _SG2    35     1.83056   115.22096   -57.39698
   30    27 S   CT   _CA3    26     1.45267   123.11260   177.61813
   31    30 S   HC   HA31    27     1.09528   108.25231   -46.21399
   32    30 S   HC   HA32    28     1.09524   107.63840    70.13674
   33    29 S   S    _S2_    36     2.05466   103.62855   -58.53160
   34    30 S   CO3  _C3_    29     1.52766   112.90326  -169.43199
   35    34 S   O2Z  _O31    30     1.26418   115.46719   -39.05318
   36    34 S   O2Z  _O32    31     1.26304   114.88299   140.61744
   37    33 S   CTL  _C16    37     1.82678   102.05606   -79.78412
   38    37 S   HC   _H21    38     1.09507   108.25434    59.85390
   39    37 S   HC   _H22    39     1.09582   108.52525   -57.14391
   40    37 S   CT1  _C15    40     1.53610   112.92241  -178.59000
   41    40 S   HC   _H6_    41     1.09699   108.68174   176.19919
   42    40 S   C    _C14    42     1.52644   112.05112   -63.35150
   43    42 S   O    _O36    43     1.22930   122.27308   104.59337
   44    40 S   NP   _N7_    78     1.51123   109.49416    60.86611
   45    44 S   H    _H23    79     1.02921   109.45395    40.65111
   46    44 S   H    _H24    80     1.03069   108.59220   -74.28670
   47    42 S   N    _N6_    44     1.38498   112.93745   -75.45400
   48    47 S   H    _H20    45     1.01575   119.58621     4.85962
   49    44 S   CT   _C17    81     1.48922   115.29135   162.87305
   50    49 S   HC   _H25    82     1.09172   108.90610    60.89946
   51    49 S   HC   _H26    83     1.09227   107.26457  -179.60091
   52    49 S   HC   _H27    84     1.09241   108.26451   -60.38880
   53    47 S   CT1  _C12    46     1.45605   122.74393   177.17305
   54    53 S   HC   _H5_    47     1.09611   108.86144    21.07676
   55    53 S   C    _C11    48     1.52846   108.20151   -97.20492
   56    55 S   O    _O35    49     1.22891   122.81473   -22.85651
   57    53 S   CT   _C13    74     1.52255   110.71160   141.75354
   58    57 S   HC   _H17    75     1.09608   111.23266    61.64369
   59    57 S   HC   _H18    76     1.09497   111.24933  -178.48638
   60    57 S   HC   _H19    77     1.09521   110.78380   -58.12690
   61    55 S   N    _N5_    50     1.38631   112.15700   159.59845
   62    61 S   H    _H16    51     1.01550   118.92719     1.51323
   63    61 S   CT1  _C5_    52     1.45754   123.56317   172.47220
   64    63 S   HC   _H3_    53     1.09463   109.14749    14.82931
   65    63 S   C    _C6_    54     1.52878   107.23758  -102.90534
   66    65 S   O    _O33    55     1.23061   122.77075   -18.34962
   67    63 S   CT   _C4_    70     1.52154   110.46851   136.11709
   68    67 S   HC   _H7_    71     1.09611   111.19241    59.95230
   69    67 S   HC   _H8_    72     1.09411   111.50795   179.80218
   70    67 S   HC   _H9_    73     1.09526   110.71368   -59.73003
   71    65 S   N    _N4_    56     1.38575   112.94040   163.58621
   72    71 S   H    _H10    57     1.01829   119.73383     4.13446
   73    71 S   CT1  _C7_    58     1.45882   122.68166   178.95040
   74    73 S   HC   _H4_    59     1.09746   108.36945    27.46413
   75    73 S   CO4  _C9_    60     1.52847   106.21445   -87.89049
   76    75 S   O    _O34    61     1.23151   122.83888   -40.56776
   77    73 S   CT   _C8_    66     1.53645   112.91277   152.10823
   78    77 S   SM   _S1_    67     1.83658   110.51608   -75.00528
   79    77 S   HC   _H11    68     1.09763   109.39514    48.97191
   80    77 S   HC   _H12    69     1.09761   108.78120   163.13454
   81    75 S   CT   _C10    62     1.50753   116.36678   141.14930
   82    81 S   HC   _H13    63     1.09257   109.70796    59.61420
   83    81 S   HC   _H14    64     1.09357   109.69358   179.15791
   84    81 S   HC   _H15    65     1.09281   109.54601   -61.54071
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  11   5   4  13   7  11   4   7   5   4  10   4
   3   2   1   1  10   7  11   4   4   2   1   1  10   4  10   7
  11   4   4   2   1   1  10   4  11   7   9   5   4   2   1   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    44    45    46    49  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    47    48    53    44    45    46    49    50    51    52  
   42    43    47    44    45    46    49  
   43    47    48    53    54    55    57    44    45    46    49  
   47    48    53    44  
   45    46    49    50    51    52    47  
   46    49    50    51    52  
   49    50    51    52  
   48    53    54    55    56    61    57    58    59    60  
   53    54    55    57  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    61    62    63    57    58    59    60  
   55    56    61    57    58    59    60  
   56    61    62    63    64    65    67    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    67  
   64    65    66    71    72    73    67    68    69    70  
   65    66    71    67    68    69    70  
   66    71    72    73    74    75    77    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76    81    77    78    79    80  
   73    74    75    77  
   74    75    76    81    82    83    84    77    78    79    80  
   75    76    81    77    78    79    80  
   76    81    82    83    84    77    78    79    80  
   81    82    83    84    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   72   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   79   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   317.000  1.522
   40    44   367.000  1.471
   42    43   570.000  1.229
   42    47   490.000  1.335
   47    48   434.000  1.010
   47    53   337.000  1.449
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    57   268.000  1.529
   55    56   570.000  1.229
   55    61   490.000  1.335
   61    62   434.000  1.010
   61    63   337.000  1.449
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    67   268.000  1.529
   65    66   570.000  1.229
   65    71   490.000  1.335
   71    72   434.000  1.010
   71    73   337.000  1.449
   73    74   340.000  1.090
   73    75   255.000  1.522
   73    77   268.000  1.529
   75    76   570.000  1.229
   75    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   222.000  1.810
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    49   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    50.00000  114.70000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    63.00000  111.10000
   37    40    44    80.00000  111.20000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    80.00000  120.40000
   40    42    47    70.00000  116.60000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    49    75.00000  113.01200
   42    40    41    35.00000  109.50000
   42    47    48    35.00000  119.80000
   42    47    53    50.00000  121.90000
   47    42    43    80.00000  122.90000
   47    53    54    35.00000  109.50000
   47    53    55    63.00000  110.10000
   47    53    57    80.00000  109.70000
   53    47    48    38.00000  118.40000
   53    55    56    80.00000  120.40000
   53    55    61    70.00000  116.60000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    53    54    35.00000  109.50000
   55    61    62    35.00000  119.80000
   55    61    63    50.00000  121.90000
   61    55    56    80.00000  122.90000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  110.10000
   61    63    67    80.00000  109.70000
   63    61    62    38.00000  118.40000
   63    65    66    80.00000  120.40000
   63    65    71    70.00000  116.60000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   65    63    64    35.00000  109.50000
   65    71    72    35.00000  119.80000
   65    71    73    50.00000  121.90000
   71    65    66    80.00000  122.90000
   71    73    74    35.00000  109.50000
   71    73    75    80.00000  110.29000
   71    73    77    80.00000  109.70000
   73    71    72    38.00000  118.40000
   73    75    76    75.00000  123.42600
   73    75    81    65.00000  117.09000
   73    77    78    50.00000  114.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   75    73    74    45.00000  110.09800
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   81    75    76    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    70.00000  110.61500
   79    77    78    35.00000  109.50000
   80    77    78    35.00000  109.50000
   80    77    79    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    63.00000  111.10000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    80.00000  111.20000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   46    44    45    35.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.56750  1.0 1.0
   33    37    40    44  -0.07550 -1.0 2.0
   33    37    40    44   0.20000  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    47   0.93250  1.0 1.0
   37    40    42    47   0.04450 -1.0 2.0
   37    40    42    47   0.17550  1.0 3.0
   37    40    44    45   0.17350  1.0 3.0
   37    40    44    46   0.17350  1.0 3.0
   37    40    44    49   0.47100  1.0 1.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.23200  1.0 3.0
   40    42    47    48   2.45000 -1.0 2.0
   40    42    47    53   1.15000  1.0 1.0
   40    42    47    53   3.04450 -1.0 2.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    47   0.00000  1.0 1.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   42    40    44    45   0.17350  1.0 3.0
   42    40    44    46   0.17350  1.0 3.0
   42    40    44    49   0.47100  1.0 1.0
   42    47    53    54   0.00000  1.0 1.0
   42    47    53    55  -0.29800  1.0 1.0
   42    47    53    55   0.13950 -1.0 2.0
   42    47    53    55  -2.45650  1.0 3.0
   42    47    53    57   0.25950  1.0 1.0
   42    47    53    57   0.43850 -1.0 2.0
   42    47    53    57   2.61650  1.0 3.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    53   3.04450 -1.0 2.0
   47    53    55    56   0.00000  1.0 1.0
   47    53    55    61   0.37150  1.0 1.0
   47    53    55    61   1.25400 -1.0 2.0
   47    53    55    61  -0.40250  1.0 3.0
   47    53    57    58   0.23200  1.0 3.0
   47    53    57    59   0.23200  1.0 3.0
   47    53    57    60   0.23200  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   48    47    53    57   0.00000  1.0 1.0
   53    55    61    62   2.45000 -1.0 2.0
   53    55    61    63   1.15000  1.0 1.0
   53    55    61    63   3.04450 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    61   0.00000  1.0 1.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   55    53    57    58  -0.03800  1.0 3.0
   55    53    57    59  -0.03800  1.0 3.0
   55    53    57    60  -0.03800  1.0 3.0
   55    61    63    64   0.00000  1.0 1.0
   55    61    63    65  -0.29800  1.0 1.0
   55    61    63    65   0.13950 -1.0 2.0
   55    61    63    65  -2.45650  1.0 3.0
   55    61    63    67   0.25950  1.0 1.0
   55    61    63    67   0.43850 -1.0 2.0
   55    61    63    67   2.61650  1.0 3.0
   56    55    61    62   2.45000 -1.0 2.0
   56    55    61    63   3.04450 -1.0 2.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    71   0.37150  1.0 1.0
   61    63    65    71   1.25400 -1.0 2.0
   61    63    65    71  -0.40250  1.0 3.0
   61    63    67    68   0.23200  1.0 3.0
   61    63    67    69   0.23200  1.0 3.0
   61    63    67    70   0.23200  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    67   0.00000  1.0 1.0
   63    65    71    72   2.45000 -1.0 2.0
   63    65    71    73   1.15000  1.0 1.0
   63    65    71    73   3.04450 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   65    63    67    68  -0.03800  1.0 3.0
   65    63    67    69  -0.03800  1.0 3.0
   65    63    67    70  -0.03800  1.0 3.0
   65    71    73    74   0.00000  1.0 1.0
   65    71    73    75  -0.29800  1.0 1.0
   65    71    73    75   0.13950 -1.0 2.0
   65    71    73    75  -2.45650  1.0 3.0
   65    71    73    77   0.25950  1.0 1.0
   65    71    73    77   0.43850 -1.0 2.0
   65    71    73    77   2.61650  1.0 3.0
   66    65    71    72   2.45000 -1.0 2.0
   66    65    71    73   3.04450 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    81   0.65300  1.0 1.0
   71    73    75    81  -0.03850 -1.0 2.0
   71    73    75    81   0.33900  1.0 3.0
   71    73    77    78   0.71400  1.0 1.0
   71    73    77    78   0.04300 -1.0 2.0
   71    73    77    78   0.01450  1.0 3.0
   71    73    77    79   0.23200  1.0 3.0
   71    73    77    80   0.23200  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    77   0.00000  1.0 1.0
   73    75    81    82   0.00000  1.0 1.0
   73    75    81    83   0.00000  1.0 1.0
   73    75    81    84   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    81   0.00000  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78  -2.17200  1.0 1.0
   75    73    77    78  -0.85700 -1.0 2.0
   75    73    77    79  -0.03800  1.0 3.0
   75    73    77    80  -0.03800  1.0 3.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.00000  1.0 1.0
   76    75    81    84   0.00000  1.0 1.0
   77    73    75    76   0.00000  1.0 1.0
   77    73    75    81   0.60050  1.0 1.0
   77    73    75    81   0.05600 -1.0 2.0
   77    73    75    81   0.26150  1.0 3.0
   67    63    65    66   0.00000  1.0 1.0
   67    63    65    71   0.93250  1.0 1.0
   67    63    65    71   0.04450 -1.0 2.0
   67    63    65    71   0.17550  1.0 3.0
   57    53    55    56   0.00000  1.0 1.0
   57    53    55    61   0.93250  1.0 1.0
   57    53    55    61   0.04450 -1.0 2.0
   57    53    55    61   0.17550  1.0 3.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    47   0.37150  1.0 1.0
   44    40    42    47   1.25400 -1.0 2.0
   44    40    42    47  -0.40250  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   46    44    49    50   0.13050  1.0 3.0
   46    44    49    51   0.13050  1.0 3.0
   46    44    49    52   0.13050  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
   35    30    34    36  10.50000 -1.0 2.0
   40    47    42    43  10.50000 -1.0 2.0
   48    42    47    53   1.00000 -1.0 2.0
   53    61    55    56  10.50000 -1.0 2.0
   62    55    61    63   1.00000 -1.0 2.0
   63    71    65    66  10.50000 -1.0 2.0
   72    65    71    73   1.00000 -1.0 2.0
   73    81    75    76  10.50000 -1.0 2.0
END
