* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    161    237     460
    1     0 S   NP   _N1_     1    28.11799    94.80490   -24.02336
    2     1 S   H    _HN1     2     1.02957    85.85499     0.76182
    3     1 S   H    _H1_     3     1.02835    24.01627   153.02947
    4     1 S   H    _H2_     4     1.02776   105.23763  -107.12588
    5     1 S   CT   _CA1     5     1.50129   130.63257   114.22270
    6     5 S   HC   _HA1     6     1.09574   105.21780    75.01627
    7     5 S   CO3  _C1_     7     1.53787   112.34852   -45.17871
    8     7 S   O2Z  _O11     8     1.26365   114.99748   -44.21063
    9     7 S   O2Z  _O12     9     1.26234   114.93224   134.87929
   10     5 S   CT   _CB1    10     1.53095   107.41997  -167.07681
   11    10 S   HC   HB11    11     1.09827   109.34079   -50.49931
   12    10 S   HC   HB12    12     1.09816   110.42691    66.05896
   13    10 S   CT   _CG1    13     1.53015   112.66418  -171.56702
   14    13 S   HC   HG11    14     1.09595   110.48966   -64.23145
   15    13 S   HC   HG12    15     1.09656   109.92254    54.96879
   16    13 S   C    _CD1    16     1.51840   112.31187   175.34192
   17    16 S   O    _OE1    17     1.22748   123.28300     0.26761
   18    16 S   N    _N2_    18     1.38549   111.70318  -179.80218
   19    18 S   H    _HN2    19     1.01560   119.04214     4.66018
   20    18 S   CT1  _CA2    20     1.45869   122.92543   177.86036
   21    20 S   HC   _HA2    21     1.09718   108.95841    22.35390
   22    20 S   C    _C2_    22     1.52822   106.72115   -94.79420
   23    22 S   O    _O2_    23     1.23000   122.88620   -31.15965
   24    20 S   CT   _CB2    32     1.53295   112.25571   145.53036
   25    24 S   HC   HB21    33     1.09522   109.58475    52.85441
   26    24 S   HC   HB22    34     1.09385   109.83513   171.48138
   27    22 S   N    _N3_    24     1.38472   112.68737   151.40668
   28    27 S   H    _HN3    25     1.01663   120.41194    -0.80527
   29    24 S   S    _SG2    35     1.82964   110.45879   -66.53126
   30    27 S   CT   _CA3    26     1.45360   122.39320   178.87135
   31    30 S   HC   HA31    27     1.09562   107.44168   -64.84619
   32    30 S   HC   HA32    28     1.09574   107.97009    51.46941
   33    29 S   CT   _C12    36     1.85852   102.99129  -152.44933
   34    33 S   HC   _H3_    37     1.09870   103.48195   175.56818
   35    30 S   CO3  _C3_    29     1.52880   114.43923   173.57142
   36    35 S   O2Z  _O31    30     1.26315   116.10709     0.84534
   37    35 S   O2Z  _O32    31     1.26464   114.38095  -179.08422
   38    33 S   CM   _C7_    38     1.55343   113.39972    63.48187
   39    38 S   CMA  _C8_    39     1.36478   120.37331  -157.00312
   40    39 S   OM   _O37    40     1.26138   132.08555  -179.68596
   41    38 S   CT   _C6_    78     1.52827   119.79211    28.06829
   42    41 S   HC   _H11    79     1.09345   111.15054   -54.66989
   43    41 S   HC   _H12    80     1.09755   110.80039  -169.56214
   44    39 S   CM   _C9_    41     1.46274   118.03434    -7.09926
   45    44 S   HC   _H13    42     1.08894   119.42482  -153.52250
   46    41 S   CT   _C5_    81     1.53250   112.12131    69.65540
   47    46 S   HC   _H9_    82     1.09675   109.84101    59.45959
   48    46 S   HC   _H10    83     1.09531   110.90872   -58.49840
   49    44 S   CM   _C10    43     1.33790   121.63198    20.49256
   50    46 S   CT   _C4_    84     1.52120   111.30658  -179.69162
   51    50 S   HC   _H6_    85     1.09475   110.95118    60.55596
   52    50 S   HC   _H7_    86     1.09465   111.03092   -59.99154
   53    50 S   HC   _H8_    87     1.09448   110.25300  -179.72876
   54    33 S   CT   _C11    44     1.57188   114.00175   -67.72176
   55    54 S   CT   _C13    45     1.55068   118.77507   -71.99546
   56    55 S   HC   _H4_    46     1.09701   109.14483   135.04720
   57    54 S   OS   _O36    73     1.44185   107.89309    54.41991
   58    55 S   CT   _C14    47     1.54284   103.49668  -108.56560
   59    58 S   HC   _H5_    48     1.10022   110.47336    88.22926
   60    55 S   CT   _C23    69     1.52696   118.70370    14.69721
   61    60 S   HC   _H23    70     1.09380   112.30023   -56.89358
   62    60 S   HC   _H24    71     1.09547   110.60993  -176.52565
   63    60 S   HC   _H25    72     1.09295   111.06819    65.67573
   64    57 S   CT   _C24    74     1.41990   119.26835   159.55800
   65    64 S   HC   _H26    75     1.09396   107.64295   174.15544
   66    64 S   HC   _H27    76     1.09116   112.28295    55.70475
   67    64 S   HC   _H28    77     1.09341   111.08493   -68.46488
   68    58 S   CA   _C15    49     1.51313   114.07132  -148.54459
   69    49 S   OS   _O33    68     1.38007   122.36709  -168.43321
   70    68 S   CA   _C16    50     1.39899   119.87485  -103.30295
   71    70 S   HA   _H14    51     1.08771   120.33907    -0.55918
   72    70 S   CA   _C17    52     1.39666   120.80241   179.29975
   73    72 S   HA   _H15    53     1.08552   117.64184   180.00000
   74    72 S   CA   _C18    54     1.39799   120.39367    -0.10468
   75    74 S   CA   _C19    55     1.40710   119.47169    -0.01978
   76    74 S   OS   _O35    63     1.37336   124.59403  -179.96044
   77    68 S   CA   _C20    56     1.40347   121.44152    75.78879
   78    77 S   HA   _H16    57     1.08558   118.15735     0.85547
   79    75 S   OS   _O34    58     1.37389   115.85610  -179.91377
   80    76 S   CT   _C22    64     1.42221   117.31048    -0.19483
   81    80 S   HC   _H20    65     1.09430   107.73765  -179.88131
   82    80 S   HC   _H21    66     1.09494   111.14042    62.40953
   83    80 S   HC   _H22    67     1.09495   111.14964   -62.16867
   84    79 S   CT   _C21    59     1.42226   117.37480   179.81655
   85    84 S   HC   _H17    60     1.09429   107.73232  -179.84677
   86    84 S   HC   _H18    61     1.09496   111.14342    62.45665
   87    84 S   HC   _H19    62     1.09501   111.15924   -62.14486
  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   9   5   4   3
  18   7   2   1   1  15  10   4  11   5   4   7   3   6   5   4
  10   3   2   1   1  15  13   9   7  13   5   5   2   1   1   3
   2   1   1  10   2   8   4   7   3  10   9   6   3   1   4   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    54    55    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    49    54    55    56    58    69    60    57    64    41    42    43    46  
   38    39    49    54    55    57    41  
   36    37  
   37  
    0  
   39    40    44    45    49    54    55    57    41    42    43    46    47    48    50  
   40    44    45    49    54    69    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    50    51    52    53    44    54  
   43    46    47    48    50  
   46    47    48    50  
   45    49    54    55    58    69    57  
   49    54    69  
   47    48    50    51    52    53  
   48    50    51    52    53  
   50    51    52    53  
   54    55    56    58    59    68    69    60    57    64  
   51    52    53  
   52    53  
   53  
    0  
   55    56    58    59    68    69    60    61    62    63    57    64    65    66    67  
   56    58    59    68    70    77    69    60    61    62    63    57    64  
   58    59    68    69    60    61    62    63    57  
   64    65    66    67    58    60    69  
   59    68    70    71    72    75    77    78    69    60    61    62    63  
   68    70    77    69    60  
   61    62    63    68    69  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   70    71    72    73    74    75    77    78    79    69  
   70    77  
   71    72    73    74    75    77    78    76  
   72    73    74    77  
   73    74    75    77    79    76    80  
   74    75    76  
   75    77    78    79    84    76    80    81    82    83  
   77    78    79    84    85    86    87    76    80  
   80    81    82    83    77    79  
   78    79    84  
   79  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   69   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    54   317.000  1.510
   49    69   440.000  1.360
   54    55   268.000  1.529
   54    57   320.000  1.410
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    60   268.000  1.529
   58    59   340.000  1.090
   58    68   317.000  1.510
   58    69   320.000  1.410
   68    70   469.000  1.400
   68    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    79   450.000  1.364
   77    78   367.000  1.080
   79    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  112.20000
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    54    49    70.00000  112.02700
   33    54    55    58.35000  112.70000
   33    54    57    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  112.02700
   39    44    45    40.00000  120.50800
   39    44    49    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    49    54    70.00000  124.00000
   44    49    69    80.00000  120.01400
   49    44    45    35.00000  120.00000
   49    54    55    70.00000  112.02700
   49    54    57    85.00000  110.90400
   49    69    58    90.00000  111.18400
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    55    56    37.50000  110.70000
   54    55    58    58.35000  112.70000
   54    55    60    58.35000  112.70000
   54    57    64    60.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    68    70.00000  112.17500
   55    58    69    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   58    55    56    37.50000  110.70000
   58    68    70    70.00000  120.00000
   58    68    77    70.00000  120.00000
   68    58    59    35.00000  109.50000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   68    77    75    63.00000  120.00000
   68    77    78    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    79    70.00000  120.00000
   74    76    80    75.00000  111.00000
   75    77    78    35.00000  120.00000
   75    79    84    75.00000  111.00000
   77    68    70    63.00000  120.00000
   79    75    77    70.00000  120.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    74    75    70.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   69    49    54    85.00000  112.85300
   69    58    59    35.00000  109.50000
   69    58    68    85.00000  111.85700
   60    55    56    37.50000  110.70000
   60    55    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   57    54    55    50.00000  109.50000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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  -0.62250  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.42700  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   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.44750  1.0 1.0
   29    33    54    55  -0.17800 -1.0 2.0
   29    33    54    55   0.20200  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.46850  1.0 1.0
   33    38    41    46   0.08550 -1.0 2.0
   33    38    41    46   0.09800  1.0 3.0
   33    54    55    56   0.15000  1.0 3.0
   33    54    55    58   0.56750  1.0 1.0
   33    54    55    58  -0.07550 -1.0 2.0
   33    54    55    58   0.20000  1.0 3.0
   33    54    55    60   0.56750  1.0 1.0
   33    54    55    60  -0.07550 -1.0 2.0
   33    54    55    60   0.20000  1.0 3.0
   33    54    57    64   0.06250  1.0 1.0
   33    54    57    64  -0.01100 -1.0 2.0
   33    54    57    64   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    54    49   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57   0.23400  1.0 3.0
   38    33    54    49   0.31000  1.0 1.0
   38    33    54    49   0.14700 -1.0 2.0
   38    33    54    49   0.07550  1.0 3.0
   38    33    54    55   0.34400  1.0 1.0
   38    33    54    55   0.09450 -1.0 2.0
   38    33    54    55   0.11100  1.0 3.0
   38    33    54    57   0.61850  1.0 1.0
   38    33    54    57  -0.22750 -1.0 2.0
   38    33    54    57   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    49   7.00000 -1.0 2.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    48   0.15000  1.0 3.0
   38    41    46    50   0.34400  1.0 1.0
   38    41    46    50   0.09450 -1.0 2.0
   38    41    46    50   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46   0.09850  1.0 1.0
   39    38    41    46   0.15250 -1.0 2.0
   39    38    41    46  -0.50650  1.0 3.0
   39    44    49    54   7.00000 -1.0 2.0
   39    44    49    69   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49   -54    33   0.09850  1.0 1.0
   44    49   -54    33   0.15250 -1.0 2.0
   44    49   -54    33  -0.50650  1.0 3.0
   44    49    54    55   0.09850  1.0 1.0
   44    49    54    55   0.15250 -1.0 2.0
   44    49    54    55  -0.50650  1.0 3.0
   44    49    54    57   0.39000  1.0 1.0
   44    49    54    57  -0.05800 -1.0 2.0
   44    49    54    57  -0.55150  1.0 3.0
   44    49    69    58  -2.26850  1.0 1.0
   44    49    69    58   3.39050 -1.0 2.0
   45    44    49    54   7.00000 -1.0 2.0
   45    44    49    69   7.00000 -1.0 2.0
   49    54    55    56   0.15000  1.0 3.0
   49    54   -55    58   0.34400  1.0 1.0
   49    54   -55    58   0.09450 -1.0 2.0
   49    54   -55    58   0.11100  1.0 3.0
   49    54    55    60   0.34400  1.0 1.0
   49    54    55    60   0.09450 -1.0 2.0
   49    54    55    60   0.11100  1.0 3.0
   49    54    57    64  -0.77900  1.0 1.0
   49    54    57    64  -0.36900 -1.0 2.0
   49    54    57    64   0.40400  1.0 3.0
   54    33   -38    39   0.09850  1.0 1.0
   54    33   -38    39   0.15250 -1.0 2.0
   54    33   -38    39  -0.50650  1.0 3.0
   54    33    38    41   0.46850  1.0 1.0
   54    33    38    41   0.08550 -1.0 2.0
   54    33    38    41   0.09800  1.0 3.0
   54    49   -69    58   2.00000 -1.0 2.0
   54    55    58    59   0.15000  1.0 3.0
   54    55    58    68  -0.03700  1.0 1.0
   54    55    58    68   0.37200 -1.0 2.0
   54    55    58    68  -0.47300  1.0 3.0
   54    55   -58    69   0.62750  1.0 1.0
   54    55   -58    69  -0.30950 -1.0 2.0
   54    55   -58    69   0.27300  1.0 3.0
   54    55    60    61   0.15000  1.0 3.0
   54    55    60    62   0.15000  1.0 3.0
   54    55    60    63   0.15000  1.0 3.0
   54    57    64    65   0.37050  1.0 3.0
   54    57    64    66   0.37050  1.0 3.0
   54    57    64    67   0.37050  1.0 3.0
   55    54    57    64   0.06250  1.0 1.0
   55    54    57    64  -0.01100 -1.0 2.0
   55    54    57    64   0.28050  1.0 3.0
   55    58    68    70   0.04150 -1.0 2.0
   55    58    68    77   0.04150 -1.0 2.0
   55    58   -69    49  -0.46850  1.0 1.0
   55    58   -69    49   0.09300 -1.0 2.0
   55    58   -69    49  -0.12850  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    68   0.43200  1.0 3.0
   56    55    58    69   0.23400  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   58    55    60    61   0.15000  1.0 3.0
   58    55    60    62   0.15000  1.0 3.0
   58    55    60    63   0.15000  1.0 3.0
   58    68    70    71   3.62500 -1.0 2.0
   58    68    70    72   3.62500 -1.0 2.0
   58    68    77    75   3.62500 -1.0 2.0
   58    68    77    78   3.62500 -1.0 2.0
   59    58    68    70   0.00000  1.0 1.0
   59    58    68    77   0.00000  1.0 1.0
   59    58    69    49   0.08050  1.0 3.0
   68    58    69    49  -0.48150  1.0 1.0
   68    58    69    49   0.09250 -1.0 2.0
   68    58    69    49  -0.12850  1.0 3.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   70    68    77    75   3.62500 -1.0 2.0
   70    68    77    78   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    77   3.62500 -1.0 2.0
   72    74    75    79   3.62500 -1.0 2.0
   72    74    76    80   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75   -77    68   3.62500 -1.0 2.0
   74    75    77    78   3.62500 -1.0 2.0
   74    75    79    84   1.63200 -1.0 2.0
   74    76    80    81   0.08050  1.0 3.0
   74    76    80    82   0.08050  1.0 3.0
   74    76    80    83   0.08050  1.0 3.0
   75    74    76    80   1.63200 -1.0 2.0
   75    79    84    85   0.08050  1.0 3.0
   75    79    84    86   0.08050  1.0 3.0
   75    79    84    87   0.08050  1.0 3.0
   77    68    70    71   3.62500 -1.0 2.0
   77    68   -70    72   3.62500 -1.0 2.0
   77    75    79    84   1.63200 -1.0 2.0
   79    75    77    68   3.62500 -1.0 2.0
   79    75    77    78   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    79   3.62500 -1.0 2.0
   69    49    54    33   0.09700  1.0 1.0
   69    49    54    33   0.15600 -1.0 2.0
   69    49    54    33  -0.50800  1.0 3.0
   69    49   -54    55   0.09700  1.0 1.0
   69    49   -54    55   0.15600 -1.0 2.0
   69    49   -54    55  -0.50800  1.0 3.0
   69    49    54    57   0.09700  1.0 1.0
   69    49    54    57   0.15600 -1.0 2.0
   69    49    54    57  -0.50800  1.0 3.0
   69    58    68    70   0.64500  1.0 1.0
   69    58    68    70   0.14800 -1.0 2.0
   69    58    68    70   0.20650  1.0 3.0
   69    58    68    77   0.64500  1.0 1.0
   69    58    68    77   0.14800 -1.0 2.0
   69    58    68    77   0.20650  1.0 3.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    68  -0.03700  1.0 1.0
   60    55    58    68   0.37200 -1.0 2.0
   60    55    58    68  -0.47300  1.0 3.0
   60    55    58    69   0.62750  1.0 1.0
   60    55    58    69  -0.30950 -1.0 2.0
   60    55    58    69   0.27300  1.0 3.0
   57    54    55    56   0.23400  1.0 3.0
   57    54    55    58   0.62750  1.0 1.0
   57    54    55    58  -0.30950 -1.0 2.0
   57    54    55    58   0.27300  1.0 3.0
   57    54    55    60   0.62750  1.0 1.0
   57    54    55    60  -0.30950 -1.0 2.0
   57    54    55    60   0.27300  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    53   0.15000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    50   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   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
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    49   1.10000 -1.0 2.0
   54    69    49    44   1.10000 -1.0 2.0
   70    77    68    58   4.00000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    79    75    74   4.00000 -1.0 2.0
   75    78    77    68   1.10000 -1.0 2.0
END
