* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    234     468
    1     0 S   NP   _N1_     1    29.21477    96.74230   -18.52004
    2     1 S   H    _HN1     2     1.02958    85.50011    28.46492
    3     1 S   H    _H1_     3     1.02826    51.59599   144.42209
    4     1 S   H    _H2_     4     1.02775    71.42694   -82.65660
    5     1 S   CT   _CA1     5     1.50172   160.34866   173.03441
    6     5 S   HC   _HA1     6     1.09574   105.18042    35.51807
    7     5 S   CO3  _C1_     7     1.53853   112.35036   -84.59731
    8     7 S   O2Z  _O11     8     1.26371   114.96740   -40.84601
    9     7 S   O2Z  _O12     9     1.26238   114.95122   137.99431
   10     5 S   CT   _CB1    10     1.53072   107.36241   153.46639
   11    10 S   HC   HB11    11     1.09818   109.38772   -48.88624
   12    10 S   HC   HB12    12     1.09831   110.40250    67.74141
   13    10 S   CT   _CG1    13     1.52968   112.65016  -169.98227
   14    13 S   HC   HG11    14     1.09498   110.26928   -62.27595
   15    13 S   HC   HG12    15     1.09645   110.12482    56.75081
   16    13 S   C    _CD1    16     1.51849   112.22496   176.75207
   17    16 S   O    _OE1    17     1.22748   123.15480   -11.38116
   18    16 S   N    _N2_    18     1.38576   111.72175   169.64244
   19    18 S   H    _HN2    19     1.01592   119.06909     0.26761
   20    18 S   CT1  _CA2    20     1.46301   123.53344   179.92598
   21    20 S   HC   _HA2    21     1.09735   109.36265    -7.33347
   22    20 S   C    _C2_    22     1.53443   108.44913  -122.75715
   23    22 S   O    _O2_    23     1.23032   122.49045  -149.15581
   24    20 S   CT   _CB2    32     1.53385   111.26380   114.73252
   25    24 S   HC   HB21    33     1.09378   109.39935    55.73261
   26    24 S   HC   HB22    34     1.09467   110.48829   173.88955
   27    22 S   N    _N3_    24     1.38428   113.50702    38.57541
   28    27 S   H    _HN3    25     1.01630   119.42263    -3.98035
   29    24 S   S    _SG2    35     1.83319   110.88916   -67.17397
   30    27 S   CT   _CA3    26     1.45270   123.09617   176.83671
   31    30 S   HC   HA31    27     1.09554   107.56406   -62.70875
   32    30 S   HC   HA32    28     1.09560   107.89117    53.67312
   33    29 S   CT   _C14    36     1.86957   101.51575   145.47485
   34    33 S   OM   _O34    37     1.31898   108.74948   178.69599
   35    30 S   CO3  _C3_    29     1.52921   114.18970   175.63094
   36    35 S   O2Z  _O31    30     1.26358   116.08450    -0.65402
   37    35 S   O2Z  _O32    31     1.26437   114.40017   179.39026
   38    33 S   CM   _C9_    38     1.52955   108.70129    60.93043
   39    38 S   CMA  _C10    39     1.35873   126.11725  -126.24551
   40    39 S   OM   _O37    40     1.26908   130.31445   176.57354
   41    38 S   CO4  _C8_    76     1.51066   119.12496    53.29597
   42    41 S   O    _O33    77     1.23051   120.70986   -88.19424
   43    39 S   CT   _C11    41     1.55394   118.30737    -4.71073
   44    41 S   CT   _C7_    78     1.52275   116.88743    94.38370
   45    44 S   HC   _H10    79     1.09698   106.50558    92.77991
   46    44 S   HC   _H11    80     1.09520   110.30294   -23.08586
   47    43 S   CM   _C12    42     1.52104   114.70823    13.16990
   48    43 S   CT   _C20    60     1.56695   112.08980  -111.62783
   49    48 S   HC   _H22    61     1.09601   109.52281  -170.71412
   50    48 S   HC   _H23    62     1.09901   109.77661   -58.47916
   51    43 S   OH   _O36    74     1.44646   109.19762   130.69049
   52    51 S   HO   _H31    75     0.97445   106.01945    30.72162
   53    44 S   CT   _C5_    81     1.53616   112.92187  -146.79682
   54    53 S   HC   _H6_    82     1.09721   109.39612   -51.21645
   55    33 S   CM   _C13    43     1.53695   109.18498   -63.93199
   56    47 S   OH   _O35    58     1.38993   114.97047   166.80179
   57    56 S   HO   _H21    59     0.97389   106.57999   -13.87103
   58    48 S   CM   _C21    63     1.50828   114.76902    62.93727
   59    58 S   HC   _H24    64     1.08969   113.98530   -67.85891
   60    53 S   CT   _C4_    83     1.52978   111.64342    68.35443
   61    60 S   HC   _H3_    84     1.09523   111.31273    59.11668
   62    60 S   HC   _H4_    85     1.09534   110.67782   179.07868
   63    60 S   HC   _H5_    86     1.09417   111.26215   -61.58687
   64    53 S   CT   _C6_    87     1.52979   109.96092  -169.49013
   65    64 S   HC   _H7_    88     1.09541   111.30004   -61.01976
   66    64 S   HC   _H8_    89     1.09518   110.82260   178.73251
   67    64 S   HC   _H9_    90     1.09515   110.80666    59.23629
   68    55 S   CT   _C15    44     1.53106   119.99216   -52.60037
   69    68 S   HC   _H12    45     1.08989   111.59255    28.49902
   70    68 S   HC   _H13    46     1.09833   109.58871   142.52389
   71    58 S   CM   _C22    65     1.34669   128.20841   112.36046
   72    68 S   CM   _C16    47     1.50588   112.58365   -97.94640
   73    72 S   HC   _H14    48     1.08906   113.93642   -65.05874
   74    71 S   CT   _C23    66     1.50568   120.25532  -179.72164
   75    74 S   HC   _H25    67     1.09513   110.21927   119.11407
   76    74 S   HC   _H26    68     1.09491   110.23087  -121.06503
   77    74 S   HC   _H27    69     1.09514   112.45513    -0.93209
   78    71 S   CT   _C24    70     1.50195   125.43866    -0.53595
   79    78 S   HC   _H28    71     1.09493   109.98221   114.21114
   80    78 S   HC   _H29    72     1.09504   110.14350  -126.68568
   81    78 S   HC   _H30    73     1.09152   113.68920    -6.74052
   82    72 S   CM   _C17    49     1.34682   128.23966   116.01597
   83    82 S   CT   _C18    50     1.50546   120.27232   179.47140
   84    83 S   HC   _H15    51     1.09499   110.23903   119.84952
   85    83 S   HC   _H16    52     1.09516   112.45363    -0.19881
   86    83 S   HC   _H17    53     1.09496   110.22925  -120.31542
   87    82 S   CT   _C19    54     1.50258   125.43450    -0.97959
   88    87 S   HC   _H18    55     1.09496   110.04917   119.83803
   89    87 S   HC   _H19    56     1.09526   109.97598  -121.02162
   90    87 S   HC   _H20    57     1.09136   113.88540    -0.75069
  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   8   5   4   3
  15   6   2   1   1  14  14   5  10   4  13  12   5   4  13  11
   5   4   4   1   9   8   8   2   1  10   3   7   3   2   1   3
   2   1   1   7   4   3   8  10   3   7   3   2   1   3   2   1
   1   8   7   3   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    68    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    55    68    69    70    72    56    41    42    44  
   38    39    47    55    68    41  
   36    37  
   37  
    0  
   39    40    43    47    55    68    48    51    41    42    44    45    46    53  
   40    43    47    55    56    48    49    50    58    51    52    41    42    44  
   43    47    48    51    41  
   42    44    45    46    53    54    60    64    43    55  
   44    45    46    53  
   47    55    68    56    57    48    49    50    58    59    71    51    52  
   45    46    53    54    60    61    62    63    64    65    66    67  
   46    53    54    60    64  
   53    54    60    64  
   55    68    69    70    72    56    57    48    49    50    58    51    52  
   49    50    58    59    71    74    78    51    52    55    56  
   50    58    59    71    51  
   58    59    71    51  
   52    55    56    58  
    0  
   54    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   68    69    70    72    73    82    56    57  
   57    68  
    0  
   59    71    74    75    76    77    78    79    80    81  
   71    74    78  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    72    73    82    83    87  
   70    72    73    82  
   72    73    82  
   74    75    76    77    78    79    80    81  
   73    82    83    84    85    86    87    88    89    90  
   82    83    87  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    55   317.000  1.510
   38    39   465.000  1.376
   38    41   320.000  1.462
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    47   317.000  1.510
   43    48   268.000  1.529
   43    51   320.000  1.410
   47    55   549.000  1.340
   47    56   510.000  1.338
   55    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   317.000  1.510
   72    73   340.000  1.080
   72    82   549.000  1.340
   82    83   317.000  1.510
   82    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   56    57   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    58   317.000  1.510
   58    59   340.000  1.080
   58    71   549.000  1.340
   71    74   317.000  1.510
   71    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   51    52   553.000  0.945
   41    42   570.000  1.229
   41    44   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  116.34900
   33    55    47    70.00000  124.00000
   33    55    68    65.00000  117.92700
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    80.00000  123.72100
   38    41    44    65.00000  118.62400
   39    43    47    70.00000  110.12100
   39    43    48    70.00000  112.02700
   39    43    51    90.00000  110.39200
   43    39    40    85.00000  112.85300
   43    47    55    70.00000  124.00000
   43    47    56    90.00000  109.34000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    58    70.00000  112.02700
   43    51    52    55.00000  108.50000
   47    55    68    70.00000  124.00000
   47    56    57    70.00000  107.45700
   55    33    34    85.00000  110.90400
   55    33    38    70.00000  110.12100
   55    68    69    35.00000  109.50000
   55    68    70    35.00000  109.50000
   55    68    72    70.00000  110.12100
   68    72    73    35.00000  117.00000
   68    72    82    70.00000  124.00000
   70    68    69    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   72    82    83    70.00000  124.00000
   72    82    87    70.00000  124.00000
   82    72    73    35.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    82    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   56    47    55    80.00000  121.38400
   48    43    47    70.00000  112.02700
   48    58    59    35.00000  117.00000
   48    58    71    70.00000  124.00000
   50    48    49    33.00000  107.80000
   58    48    49    35.00000  109.50000
   58    48    50    35.00000  109.50000
   58    71    74    70.00000  124.00000
   58    71    78    70.00000  124.00000
   71    58    59    35.00000  120.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   51    43    47    90.00000  110.39200
   51    43    48    50.00000  109.50000
   41    38    39    60.00000  125.92000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    53    63.00000  111.10000
   44    41    42    80.00000  120.40000
   44    53    54    37.50000  110.70000
   44    53    60    58.35000  112.70000
   44    53    64    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   53    64    65    37.50000  110.70000
   53    64    66    37.50000  110.70000
   53    64    67    37.50000  110.70000
   60    53    54    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    55    47   0.42700  1.0 1.0
   29    33    55    47  -0.70350 -1.0 2.0
   29    33    55    47  -0.43150  1.0 3.0
   29    33    55    68   0.30250  1.0 1.0
   29    33    55    68  -0.14950 -1.0 2.0
   29    33    55    68   0.36900  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    44   0.25700  1.0 1.0
   33    38    41    44   0.66200 -1.0 2.0
   33    38    41    44   0.04450  1.0 3.0
   33    55    68    69   0.34800  1.0 3.0
   33    55    68    70   0.34800  1.0 3.0
   33    55    68    72   0.09700  1.0 1.0
   33    55    68    72   0.15600 -1.0 2.0
   33    55    68    72  -0.50800  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    55    47   0.39000  1.0 1.0
   34    33    55    47  -0.05800 -1.0 2.0
   34    33    55    47  -0.55150  1.0 3.0
   34    33    55    68   0.09700  1.0 1.0
   34    33    55    68   0.15600 -1.0 2.0
   34    33    55    68  -0.50800  1.0 3.0
   38    33    55    47  -0.28300  1.0 1.0
   38    33    55    47   0.26700 -1.0 2.0
   38    33    55    47  -0.63300  1.0 3.0
   38    33    55    68   0.09700  1.0 1.0
   38    33    55    68   0.15600 -1.0 2.0
   38    33    55    68  -0.50800  1.0 3.0
   38    39   -43    47  -0.28300  1.0 1.0
   38    39   -43    47   0.26700 -1.0 2.0
   38    39   -43    47  -0.63300  1.0 3.0
   38    39    43    48   0.09850  1.0 1.0
   38    39    43    48   0.15250 -1.0 2.0
   38    39    43    48  -0.50650  1.0 3.0
   38    39    43    51   0.67800  1.0 1.0
   38    39    43    51   0.47050 -1.0 2.0
   38    39    43    51  -0.62500  1.0 3.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    53   0.65300  1.0 1.0
   38    41    44    53  -0.03850 -1.0 2.0
   38    41    44    53   0.33900  1.0 3.0
   39    38    41    42   1.00000 -1.0 2.0
   39    38    41    44  -0.33500  1.0 1.0
   39    38    41    44   1.06600 -1.0 2.0
   39    38    41    44  -0.14000  1.0 3.0
   39    43    47    55  -0.28300  1.0 1.0
   39    43    47    55   0.26700 -1.0 2.0
   39    43    47    55  -0.63300  1.0 3.0
   39    43    47    56   0.09700  1.0 1.0
   39    43    47    56   0.15600 -1.0 2.0
   39    43    47    56  -0.50800  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    58   0.31000  1.0 1.0
   39    43    48    58   0.14700 -1.0 2.0
   39    43    48    58   0.07550  1.0 3.0
   39    43    51    52  -0.07800  1.0 1.0
   39    43    51    52  -0.21500 -1.0 2.0
   39    43    51    52  -0.03150  1.0 3.0
   40    39    43    47   0.09700  1.0 1.0
   40    39    43    47   0.15600 -1.0 2.0
   40    39    43    47  -0.50800  1.0 3.0
   40    39    43    48   0.09700  1.0 1.0
   40    39    43    48   0.15600 -1.0 2.0
   40    39    43    48  -0.50800  1.0 3.0
   40    39    43    51   0.09700  1.0 1.0
   40    39    43    51   0.15600 -1.0 2.0
   40    39    43    51  -0.50800  1.0 3.0
   43    47   -55    33   7.00000 -1.0 2.0
   43    47    55    68   7.00000 -1.0 2.0
   43    47    56    57   2.00000 -1.0 2.0
   43    48    58    59   0.00000  1.0 1.0
   43    48    58    71   0.09850  1.0 1.0
   43    48    58    71   0.15250 -1.0 2.0
   43    48    58    71  -0.50650  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    58   0.31000  1.0 1.0
   47    43    48    58   0.14700 -1.0 2.0
   47    43    48    58   0.07550  1.0 3.0
   47    43    51    52  -0.07800  1.0 1.0
   47    43    51    52  -0.21500 -1.0 2.0
   47    43    51    52  -0.03150  1.0 3.0
   47    55    68    69   0.00000  1.0 1.0
   47    55    68    70   0.00000  1.0 1.0
   47    55    68    72  -0.28300  1.0 1.0
   47    55    68    72   0.26700 -1.0 2.0
   47    55    68    72  -0.63300  1.0 3.0
   55    33   -38    39  -0.28300  1.0 1.0
   55    33   -38    39   0.26700 -1.0 2.0
   55    33   -38    39  -0.63300  1.0 3.0
   55    33    38    41   0.09700  1.0 1.0
   55    33    38    41   0.15600 -1.0 2.0
   55    33    38    41  -0.50800  1.0 3.0
   55    47    56    57  -0.66100  1.0 1.0
   55    47    56    57   1.20850 -1.0 2.0
   55    47    56    57  -0.36000  1.0 3.0
   55    68    72    73   0.00000  1.0 1.0
   55    68    72    82  -0.28300  1.0 1.0
   55    68    72    82   0.26700 -1.0 2.0
   55    68    72    82  -0.63300  1.0 3.0
   68    72    82    83   7.00000 -1.0 2.0
   68    72    82    87   7.00000 -1.0 2.0
   69    68    72    73   0.33100  1.0 3.0
   69    68    72    82   0.00000  1.0 1.0
   70    68    72    73   0.33100  1.0 3.0
   70    68    72    82   0.00000  1.0 1.0
   72    82    83    84   0.00000  1.0 1.0
   72    82    83    85   0.00000  1.0 1.0
   72    82    83    86   0.00000  1.0 1.0
   72    82    87    88   0.00000  1.0 1.0
   72    82    87    89   0.00000  1.0 1.0
   72    82    87    90   0.00000  1.0 1.0
   73    72    82    83   7.00000 -1.0 2.0
   73    72    82    87   7.00000 -1.0 2.0
   83    82    87    88   0.34800  1.0 3.0
   83    82    87    89   0.34800  1.0 3.0
   83    82    87    90   0.34800  1.0 3.0
   87    82    83    84   0.34800  1.0 3.0
   87    82    83    85   0.34800  1.0 3.0
   87    82    83    86   0.34800  1.0 3.0
   56    47    55    33   7.00000 -1.0 2.0
   56    47    55    68   7.00000 -1.0 2.0
   48    43    47    55   0.09850  1.0 1.0
   48    43    47    55   0.15250 -1.0 2.0
   48    43    47    55  -0.50650  1.0 3.0
   48    43    47    56   0.09700  1.0 1.0
   48    43    47    56   0.15600 -1.0 2.0
   48    43    47    56  -0.50800  1.0 3.0
   48    43    51    52  -0.11600  1.0 1.0
   48    43    51    52  -0.09450 -1.0 2.0
   48    43    51    52   0.21250  1.0 3.0
   48    58    71    74   7.00000 -1.0 2.0
   48    58    71    78   7.00000 -1.0 2.0
   49    48    58    59   0.33100  1.0 3.0
   49    48    58    71   0.00000  1.0 1.0
   50    48    58    59   0.33100  1.0 3.0
   50    48    58    71   0.00000  1.0 1.0
   58    71    74    75   0.00000  1.0 1.0
   58    71    74    76   0.00000  1.0 1.0
   58    71    74    77   0.00000  1.0 1.0
   58    71    78    79   0.00000  1.0 1.0
   58    71    78    80   0.00000  1.0 1.0
   58    71    78    81   0.00000  1.0 1.0
   59    58    71    74   7.00000 -1.0 2.0
   59    58    71    78   7.00000 -1.0 2.0
   74    71    78    79   0.34800  1.0 3.0
   74    71    78    80   0.34800  1.0 3.0
   74    71    78    81   0.34800  1.0 3.0
   78    71    74    75   0.34800  1.0 3.0
   78    71    74    76   0.34800  1.0 3.0
   78    71    74    77   0.34800  1.0 3.0
   51    43    47    55   0.67800  1.0 1.0
   51    43    47    55   0.47050 -1.0 2.0
   51    43    47    55  -0.62500  1.0 3.0
   51    43    47    56   0.09700  1.0 1.0
   51    43    47    56   0.15600 -1.0 2.0
   51    43    47    56  -0.50800  1.0 3.0
   51    43    48    49   0.23400  1.0 3.0
   51    43    48    50   0.23400  1.0 3.0
   51    43    48    58   1.05650  1.0 1.0
   51    43    48    58   0.15600 -1.0 2.0
   51    43    48    58   0.53150  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   41    44    53    54  -0.11250  1.0 3.0
   41    44    53    60  -0.95700  1.0 1.0
   41    44    53    60  -0.18200 -1.0 2.0
   41    44    53    60   0.29450  1.0 3.0
   41    44    53    64  -0.95700  1.0 1.0
   41    44    53    64  -0.18200 -1.0 2.0
   41    44    53    64   0.29450  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    53   0.30150 -1.0 2.0
   44    53    60    61   0.15000  1.0 3.0
   44    53    60    62   0.15000  1.0 3.0
   44    53    60    63   0.15000  1.0 3.0
   44    53    64    65   0.15000  1.0 3.0
   44    53    64    66   0.15000  1.0 3.0
   44    53    64    67   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    60   0.15000  1.0 3.0
   45    44    53    64   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    60   0.15000  1.0 3.0
   46    44    53    64   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   54    53    64    65   0.15000  1.0 3.0
   54    53    64    66   0.15000  1.0 3.0
   54    53    64    67   0.15000  1.0 3.0
   60    53    64    65   0.15000  1.0 3.0
   60    53    64    66   0.15000  1.0 3.0
   60    53    64    67   0.15000  1.0 3.0
   64    53    60    61   0.15000  1.0 3.0
   64    53    60    62   0.15000  1.0 3.0
   64    53    60    63   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
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   43    56    47    55   1.10000 -1.0 2.0
   33    68    55    47   1.10000 -1.0 2.0
   68    73    72    82  15.00000 -1.0 2.0
   83    87    82    72  15.00000 -1.0 2.0
   48    59    58    71  15.00000 -1.0 2.0
   74    78    71    58  15.00000 -1.0 2.0
   38    44    41    42  10.50000 -1.0 2.0
END
