* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    158    235     453
    1     0 S   NP   _N1_     1    29.12357    95.12809   -26.49477
    2     1 S   H    _HN1     2     1.02825    31.39678  -160.97840
    3     1 S   H    _H1_     3     1.02801   127.05306  -100.86196
    4     1 S   H    _H2_     4     1.02946    76.96389     2.48593
    5     1 S   CT   _CA1     5     1.50138   114.62910   109.20181
    6     5 S   HC   _HA1     6     1.09574   105.13723    93.13659
    7     5 S   CO3  _C1_     7     1.53752   112.49557   -27.06474
    8     7 S   O2Z  _O11     8     1.26381   114.99819   -41.87775
    9     7 S   O2Z  _O12     9     1.26233   114.93721   137.07693
   10     5 S   CT   _CB1    10     1.53042   107.39228  -148.88449
   11    10 S   HC   HB11    11     1.09849   109.29989   -49.00903
   12    10 S   HC   HB12    12     1.09810   110.48625    67.56492
   13    10 S   CT   _CG1    13     1.53055   112.68656  -169.91500
   14    13 S   HC   HG11    14     1.09556   110.82990   -68.88671
   15    13 S   HC   HG12    15     1.09662   109.62968    50.38132
   16    13 S   C    _CD1    16     1.51817   111.69222   170.94635
   17    16 S   O    _OE1    17     1.22781   123.04438    17.95337
   18    16 S   N    _N2_    18     1.38641   112.03275  -162.03207
   19    18 S   H    _HN2    19     1.01573   119.01893     0.55953
   20    18 S   CT1  _CA2    20     1.46224   123.29815   175.43147
   21    20 S   HC   _HA2    21     1.09740   109.25553     9.41158
   22    20 S   C    _C2_    22     1.53740   108.84324  -106.07832
   23    22 S   O    _O2_    23     1.23089   122.21780  -148.55660
   24    20 S   CT   _CB2    32     1.53341   111.77128   131.43712
   25    24 S   HC   HB21    33     1.09586   110.13264    56.85126
   26    24 S   HC   HB22    34     1.09408   109.85741   175.82749
   27    22 S   N    _N3_    24     1.38301   113.91722    38.90062
   28    27 S   H    _HN3    25     1.01524   119.64727    -2.96181
   29    24 S   S    _SG2    35     1.82642   111.61129   -63.99550
   30    27 S   CT   _CA3    26     1.45283   123.35894   177.35277
   31    30 S   HC   HA31    27     1.09545   107.49118   -65.57213
   32    30 S   HC   HA32    28     1.09553   108.03771    50.91301
   33    29 S   CT   _C10    36     1.84716    99.61345   177.99924
   34    33 S   HC   _H5_    37     1.09709   107.01424   -38.83774
   35    30 S   CO3  _C3_    29     1.53000   113.98958   172.92587
   36    35 S   O2Z  _O31    30     1.26396   116.07697    -0.59083
   37    35 S   O2Z  _O32    31     1.26422   114.42299   179.47362
   38    33 S   CT   _C11    38     1.54773   110.83630    77.65124
   39    38 S   HC   _H13    39     1.09768   108.46608  -174.89485
   40    38 S   HC   _H14    40     1.09710   109.61392   -60.95466
   41    33 S   CT1  _C9_    63     1.54951   109.53613  -156.17495
   42    41 S   HC   _H4_    64     1.09724   109.79245   -56.76051
   43    38 S   CT   _C12    41     1.53530   115.82202    62.51428
   44    43 S   HC   _H15    42     1.09277   109.66281    50.86213
   45    43 S   HC   _H16    43     1.09551   110.19011   -67.17624
   46    41 S   CO3  _C18    65     1.54921   112.17717    63.22105
   47    46 S   O2Z  _O37    66     1.26416   115.62085    50.00678
   48    46 S   O2Z  _O36    67     1.26425   114.77728  -131.45621
   49    41 S   N    _N4_    68     1.46867   110.54609  -175.69702
   50    49 S   H    _H12    69     1.01585   117.10836   -58.40789
   51    43 S   CT   _C13    44     1.53302   110.92048   171.94421
   52    51 S   HC   _H17    45     1.09766   108.88384    55.39179
   53    51 S   HC   _H18    46     1.09633   109.72220   -59.98573
   54    49 S   C    _C8_    70     1.37887   123.69340   127.20858
   55    54 S   O    _O33    71     1.22487   126.54830    -3.42142
   56    51 S   CT   _C14    47     1.53063   114.36522   175.98892
   57    56 S   HC   _H19    48     1.09558   109.03166   -65.47850
   58    56 S   HC   _H20    49     1.09531   109.64145   178.06751
   59    54 S   C3T  _C7_    72     1.48496   113.06044   177.94633
   60    59 S   HC   _H3_    73     1.08709   113.16628    73.92946
   61    56 S   S    _S1_    50     1.82545   116.13502    55.10964
   62    59 S   C3T  _C6_    74     1.50945   120.07830  -144.21907
   63    62 S   HC   _H10    75     1.08429   117.57052  -140.21783
   64    62 S   HC   _H11    76     1.08425   118.63327     2.42148
   65    61 S   CT   _C15    51     1.82947   100.11071    58.88341
   66    65 S   HC   _H21    52     1.09480   108.49067    54.16462
   67    65 S   HC   _H22    53     1.09446   108.63255   -62.70409
   68    59 S   C3T  _C5_    77     1.52183   121.22831   -73.53732
   69    65 S   CT   _C16    54     1.53160   112.34179   176.72135
   70    69 S   HC   _H6_    55     1.09725   108.22470   173.23961
   71    68 S   CT   _C4_    78     1.50597   117.25238   142.91779
   72    71 S   HC   _H7_    79     1.09495   110.25902   -86.94950
   73    71 S   HC   _H8_    80     1.09496   110.40999   153.32678
   74    71 S   HC   _H9_    81     1.09543   112.05828    33.17735
   75    68 S   CT   _C19    82     1.50762   120.05381    -2.72872
   76    75 S   HC   _H26    83     1.09496   110.32192    83.03327
   77    75 S   HC   _H27    84     1.09512   112.48518   -37.68196
   78    75 S   HC   _H28    85     1.09518   110.23363  -157.55364
   79    69 S   CO3  _C17    56     1.54129   114.93962   -68.89844
   80    79 S   O2Z  _O35    57     1.26498   114.64512   144.93769
   81    79 S   O2Z  _O34    58     1.26198   115.82469   -36.40608
   82    69 S   NP   _N5_    59     1.50193   108.82939    60.33018
   83    82 S   H    _H23    60     1.03123   112.33821    57.94385
   84    82 S   H    _H24    61     1.02868   110.57974   -62.35343
   85    82 S   H    _H25    62     1.02853   110.50559   179.12867
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  13   6   5  10   6   9   5   4   5   2   1
   7   3   7   5   4   9   4   7   3   2  13   6   7  11   4   3
  11   5   4   8   8   7   7   3   2   1   3   2   1   1   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    41    42    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    51    41    42    46    47    48    49    50    54  
   38    39    40    43    41    42    46    49  
   36    37  
   37  
    0  
   39    40    43    44    45    51    52    53    56    41    42    46    49  
   40    43    44    45    51    41  
   43    44    45    51    41  
   42    46    47    48    49    50    54    55    59    43  
   46    47    48    49    50    54  
   44    45    51    52    53    56    57    58    61  
   45    51    52    53    56  
   51    52    53    56  
   47    48    49    50    54  
   48    49  
   49  
   50    54    55    59    60    62    68  
   54    55    59  
   52    53    56    57    58    61    65  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    62    63    64    68    71    75  
   59    60    62    68  
   57    58    61    65    66    67    69  
   58    61    65  
   61    65  
   60    62    63    64    68    71    72    73    74    75    76    77    78  
   62    63    64    68    71    75  
   65    66    67    69    70    79    82  
   63    64    68    71    72    73    74    75    76    77    78  
   64    68    71    75  
   68    71    75  
   66    67    69    70    79    80    81    82    83    84    85  
   67    69    70    79    82  
   69    70    79    82  
   71    72    73    74    75    76    77    78  
   70    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    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    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   222.000  1.810
   61    65   222.000  1.810
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    79   317.000  1.522
   69    82   367.000  1.471
   79    80   656.000  1.250
   79    81   656.000  1.250
   82    83   434.000  1.010
   82    84   434.000  1.010
   82    85   434.000  1.010
   41    42   340.000  1.090
   41    46   317.000  1.522
   41    49   337.000  1.449
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   434.000  1.010
   49    54   490.000  1.335
   54    55   570.000  1.229
   54    59   295.000  1.481
   59    60   340.000  1.088
   59    62   260.000  1.509
   59    68   260.000  1.509
   62    63   340.000  1.088
   62    64   340.000  1.088
   62    68   260.000  1.509
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   33    41    49    80.00000  109.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    75.00000  111.63000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    65    62.00000   98.90000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    69    75.00000  111.63000
   65    69    70    37.50000  110.70000
   65    69    79    70.00000  109.69300
   65    69    82    80.00000  111.20000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    79    80    70.00000  117.00000
   69    79    81    70.00000  117.00000
   69    82    83    35.00000  109.50000
   69    82    84    35.00000  109.50000
   69    82    85    35.00000  109.50000
   79    69    70    35.00000  109.50000
   81    79    80    80.00000  126.00000
   82    69    70    35.00000  109.50000
   82    69    79    80.00000  109.26000
   84    82    83    35.00000  109.50000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    70.00000  117.00000
   41    46    48    70.00000  117.00000
   41    49    50    38.00000  118.40000
   41    49    54    50.00000  121.90000
   46    41    42    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    41    42    35.00000  109.50000
   49    41    46    63.00000  110.10000
   49    54    55    80.00000  122.90000
   49    54    59    75.00000  114.51300
   54    49    50    35.00000  119.80000
   54    59    60    40.00000  115.44000
   54    59    62    65.00000  116.19300
   54    59    68    65.00000  116.19300
   59    54    55    75.00000  122.66600
   59    62    63    37.50000  117.20000
   59    62    64    37.50000  117.20000
   59    62    68    10.00000   60.00500
   59    68    62    10.00000   60.00500
   59    68    71    60.00000  120.94000
   59    68    75    60.00000  120.94000
   62    59    60    37.50000  117.20000
   62    68    71    60.00000  120.94000
   62    68    75    60.00000  120.94000
   64    62    63    35.00000  114.30000
   68    59    60    37.50000  117.20000
   68    59    62    10.00000   60.00500
   68    62    63    37.50000  117.20000
   68    62    64    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    42   0.15000  1.0 3.0
   29    33    41    46  -2.17200  1.0 1.0
   29    33    41    46  -0.85700 -1.0 2.0
   29    33    41    49   0.71400  1.0 1.0
   29    33    41    49   0.04300 -1.0 2.0
   29    33    41    49   0.01450  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51   0.56750  1.0 1.0
   33    38    43    51  -0.07550 -1.0 2.0
   33    38    43    51   0.20000  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    48   0.00000  1.0 1.0
   33    41    49    50   0.00000  1.0 1.0
   33    41    49    54   0.25950  1.0 1.0
   33    41    49    54   0.43850 -1.0 2.0
   33    41    49    54   2.61650  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    42   0.15000  1.0 3.0
   34    33    41    46  -0.03800  1.0 3.0
   34    33    41    49   0.23200  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.84850  1.0 1.0
   38    33    41    46  -0.22800 -1.0 2.0
   38    33    41    46   0.29250  1.0 3.0
   38    33    41    49   0.42250  1.0 1.0
   38    33    41    49  -0.48100 -1.0 2.0
   38    33    41    49   0.35650  1.0 3.0
   38    43    51    52   0.15000  1.0 3.0
   38    43    51    53   0.15000  1.0 3.0
   38    43    51    56   0.56750  1.0 1.0
   38    43    51    56  -0.07550 -1.0 2.0
   38    43    51    56   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    51   0.15000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    61   0.44750  1.0 1.0
   43    51    56    61  -0.17800 -1.0 2.0
   43    51    56    61   0.20200  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    56   0.15000  1.0 3.0
   51    56    61    65   0.01700  1.0 1.0
   51    56    61    65  -0.23550 -1.0 2.0
   51    56    61    65   0.21350  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    65    66   0.32350  1.0 3.0
   56    61    65    67   0.32350  1.0 3.0
   56    61    65    69   0.01700  1.0 1.0
   56    61    65    69  -0.23550 -1.0 2.0
   56    61    65    69   0.21350  1.0 3.0
   57    56    61    65   0.32350  1.0 3.0
   58    56    61    65   0.32350  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    79   0.56750  1.0 1.0
   61    65    69    79  -0.07550 -1.0 2.0
   61    65    69    79   0.20000  1.0 3.0
   61    65    69    82   0.56750  1.0 1.0
   61    65    69    82  -0.07550 -1.0 2.0
   61    65    69    82   0.20000  1.0 3.0
   65    69    79    80   0.41150 -1.0 2.0
   65    69    79    81   0.41150 -1.0 2.0
   65    69    82    83   0.17350  1.0 3.0
   65    69    82    84   0.17350  1.0 3.0
   65    69    82    85   0.17350  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    79  -0.11250  1.0 3.0
   66    65    69    82   0.19200  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    79  -0.11250  1.0 3.0
   67    65    69    82   0.19200  1.0 3.0
   70    69    79    80   0.00000  1.0 1.0
   70    69    79    81   0.00000  1.0 1.0
   70    69    82    83   0.13050  1.0 3.0
   70    69    82    84   0.13050  1.0 3.0
   70    69    82    85   0.13050  1.0 3.0
   79    69    82    83   0.17350  1.0 3.0
   79    69    82    84   0.17350  1.0 3.0
   79    69    82    85   0.17350  1.0 3.0
   82    69    79    80   0.30150 -1.0 2.0
   82    69    79    81   0.30150 -1.0 2.0
   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
   41    49    54    55   3.04450 -1.0 2.0
   41    49    54    59   1.15000  1.0 1.0
   41    49    54    59   3.04450 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    54   0.00000  1.0 1.0
   46    41    49    50   0.00000  1.0 1.0
   46    41    49    54  -0.29800  1.0 1.0
   46    41    49    54   0.13950 -1.0 2.0
   46    41    49    54  -2.45650  1.0 3.0
   49    41    46    47   0.00000  1.0 1.0
   49    41    46    48   0.00000  1.0 1.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    62   1.39750  1.0 1.0
   49    54    59    62  -0.07950 -1.0 2.0
   49    54    59    62  -0.18750  1.0 3.0
   49    54    59    68   1.39750  1.0 1.0
   49    54    59    68  -0.07950 -1.0 2.0
   49    54    59    68  -0.18750  1.0 3.0
   50    49    54    55   2.45000 -1.0 2.0
   50    49    54    59   2.45000 -1.0 2.0
   54    59    62    63  -0.11250  1.0 3.0
   54    59    62    64  -0.11250  1.0 3.0
   54    59   -62    68  -0.95700  1.0 1.0
   54    59   -62    68  -0.18200 -1.0 2.0
   54    59   -62    68   0.29450  1.0 3.0
   54    59   -68    62  -0.95700  1.0 1.0
   54    59   -68    62  -0.18200 -1.0 2.0
   54    59   -68    62   0.29450  1.0 3.0
   54    59    68    71  -0.95700  1.0 1.0
   54    59    68    71  -0.18200 -1.0 2.0
   54    59    68    71   0.29450  1.0 3.0
   54    59    68    75  -0.95700  1.0 1.0
   54    59    68    75  -0.18200 -1.0 2.0
   54    59    68    75   0.29450  1.0 3.0
   55    54    59    60   0.50000  1.0 3.0
   55    54    59    62   0.30150 -1.0 2.0
   55    54    59    68   0.30150 -1.0 2.0
   59    62   -68    71   0.07850  1.0 1.0
   59    62   -68    71  -0.03950 -1.0 2.0
   59    62   -68    71   0.67350  1.0 3.0
   59    62   -68    75   0.07850  1.0 1.0
   59    62   -68    75  -0.03950 -1.0 2.0
   59    62   -68    75   0.67350  1.0 3.0
   59    68    71    72   0.15000  1.0 3.0
   59    68    71    73   0.15000  1.0 3.0
   59    68    71    74   0.15000  1.0 3.0
   59    68    75    76   0.15000  1.0 3.0
   59    68    75    77   0.15000  1.0 3.0
   59    68    75    78   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59   -62    68   0.15000  1.0 3.0
   60    59   -68    62   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   60    59    68    75   0.15000  1.0 3.0
   62    59   -68    71   0.07850  1.0 1.0
   62    59   -68    71  -0.03950 -1.0 2.0
   62    59   -68    71   0.67350  1.0 3.0
   62    59   -68    75   0.07850  1.0 1.0
   62    59   -68    75  -0.03950 -1.0 2.0
   62    59   -68    75   0.67350  1.0 3.0
   62    68    71    72   0.15000  1.0 3.0
   62    68    71    73   0.15000  1.0 3.0
   62    68    71    74   0.15000  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    78   0.15000  1.0 3.0
   63    62   -68    59   0.15000  1.0 3.0
   63    62    68    71   0.15000  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   64    62   -68    59   0.15000  1.0 3.0
   64    62    68    71   0.15000  1.0 3.0
   64    62    68    75   0.15000  1.0 3.0
   68    59   -62    63   0.15000  1.0 3.0
   68    59   -62    64   0.15000  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   80    69    79    81  10.50000 -1.0 2.0
   47    41    46    48  10.50000 -1.0 2.0
   50    54    49    41   1.00000 -1.0 2.0
   49    59    54    55  10.50000 -1.0 2.0
END
