* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    151    234     441
    1     0 S   NP   _N1_     1    29.77530    93.74598   -26.02601
    2     1 S   H    _HN1     2     1.02828    30.60184  -148.64500
    3     1 S   H    _H1_     3     1.02794   126.42951   -88.52265
    4     1 S   H    _H2_     4     1.02949    77.65477    15.32500
    5     1 S   CT   _CA1     5     1.50123   114.86469   122.31418
    6     5 S   HC   _HA1     6     1.09575   105.17671    92.21188
    7     5 S   CO3  _C1_     7     1.53780   112.44512   -28.00507
    8     7 S   O2Z  _O11     8     1.26374   115.00616   -42.98558
    9     7 S   O2Z  _O12     9     1.26239   114.94514   136.06142
   10     5 S   CT   _CB1    10     1.53068   107.41098  -149.82380
   11    10 S   HC   HB11    11     1.09839   109.35308   -49.54569
   12    10 S   HC   HB12    12     1.09812   110.46889    67.05793
   13    10 S   CT   _CG1    13     1.53005   112.61650  -170.49817
   14    13 S   HC   HG11    14     1.09577   110.67463   -66.37006
   15    13 S   HC   HG12    15     1.09671   109.74492    52.87044
   16    13 S   C    _CD1    16     1.51810   112.11406   173.32950
   17    16 S   O    _OE1    17     1.22745   123.21974     9.19330
   18    16 S   N    _N2_    18     1.38636   111.73285  -170.72324
   19    18 S   H    _HN2    19     1.01567   119.03608     1.31938
   20    18 S   CT1  _CA2    20     1.46234   123.45269   177.62917
   21    20 S   HC   _HA2    21     1.09748   109.21931     8.13115
   22    20 S   C    _C2_    22     1.53700   109.23855  -107.38706
   23    22 S   O    _O2_    23     1.23098   122.22490  -150.97269
   24    20 S   CT   _CB2    32     1.53403   111.49105   130.00335
   25    24 S   HC   HB21    33     1.09543   109.83623    55.98414
   26    24 S   HC   HB22    34     1.09274   109.64794   174.77970
   27    22 S   N    _N3_    24     1.38304   113.96424    36.62917
   28    27 S   H    _HN3    25     1.01536   119.61300    -3.37261
   29    24 S   S    _SG2    35     1.83222   111.06871   -65.17042
   30    27 S   CT   _CA3    26     1.45276   123.24974   177.07845
   31    30 S   HC   HA31    27     1.09549   107.53679   -64.13615
   32    30 S   HC   HA32    28     1.09557   107.96526    52.31165
   33    29 S   CT   _C19    36     1.84573   101.54129  -176.85067
   34    33 S   OM   _O37    37     1.31788   110.87749   -61.37834
   35    30 S   CO3  _C3_    29     1.52966   114.05974   174.29820
   36    35 S   O2Z  _O31    30     1.26379   116.08074    -0.24787
   37    35 S   O2Z  _O32    31     1.26424   114.41507   179.79923
   38    33 S   CO4  _C20    38     1.52929   110.80012    57.67683
   39    38 S   O    _O36    39     1.22859   125.86348  -119.38329
   40    38 S   CA   _C6_    40     1.47461   115.28092    64.56491
   41    40 S   CA   _C7_    41     1.41799   114.24275    41.89356
   42    41 S   CA   _C8_    42     1.41111   116.36039   179.66196
   43    41 S   CMA  _C17    70     1.53345   121.37986    -0.28667
   44    43 S   OM   _O38    71     1.26915   118.06953   156.20388
   45    42 S   CA   _C9_    43     1.38553   120.01771     0.66500
   46    42 S   OH   _O35    68     1.36980   123.62764   179.47400
   47    46 S   HO   _H16    69     0.97546   107.25344     4.68157
   48    33 S   CM   _C18    72     1.54497   108.61622   175.18696
   49    45 S   CA   _C10    44     1.39327   123.04276    -0.07133
   50    48 S   CT   _C21    73     1.56107   115.91120    86.61845
   51    50 S   HC   _H17    74     1.09756   108.26134   -12.77255
   52    40 S   CA   _C5_    45     1.42556   121.83820  -137.59954
   53    49 S   CT   _C11    50     1.51511   107.80278  -177.45486
   54    50 S   CT   _C22    75     1.53268   112.58913   104.77127
   55    54 S   HC   _H18    76     1.09438   112.13310    69.32346
   56    54 S   HC   _H19    77     1.09492   111.41134   -51.69623
   57    54 S   HC   _H20    78     1.09570   110.30300  -171.09254
   58    50 S   CT   _C23    79     1.53684   114.51536  -127.24621
   59    58 S   HC   _H21    80     1.09359   112.83746   -76.97407
   60    58 S   HC   _H22    81     1.09630   109.92137   164.13272
   61    58 S   HC   _H23    82     1.09528   111.13573    45.26526
   62    52 S   CT   _C4_    46     1.50239   123.09054     2.57116
   63    62 S   HC   _H4_    47     1.09454   109.69246   110.36723
   64    62 S   HC   _H5_    48     1.09391   110.41974  -128.31332
   65    62 S   HC   _H6_    49     1.08890   114.71543    -8.52698
   66    53 S   CO   _C12    51     1.55769    97.74467   -18.44117
   67    66 S   HC   _H3_    52     1.09658   111.14664   148.60813
   68    53 S   CT   _C13    56     1.54469   107.91544    95.38421
   69    68 S   HC   _H8_    57     1.09496   111.48266  -169.41301
   70    68 S   HC   _H9_    58     1.09561   111.24337    70.32283
   71    68 S   HC   _H10    59     1.09686   112.12815   -49.54758
   72    53 S   CT   _C14    60     1.54786   116.28573  -138.85320
   73    72 S   HC   _H11    61     1.09824   109.86548    44.09547
   74    72 S   HC   _H12    62     1.09556   109.92483   -71.86710
   75    45 S   OS   _O33    53     1.37631   123.06352  -179.07868
   76    66 S   OH   _O34    54     1.42779   111.93636   -90.78840
   77    76 S   HO   _H7_    55     0.97176   106.66421  -160.91095
   78    72 S   CM   _C15    63     1.50694   114.88291   168.89484
   79    78 S   HC   _H13    64     1.08668   117.62489    62.50215
   80    78 S   CM   _C16    65     1.33810   124.01337  -119.28919
   81    80 S   HC   _H14    66     1.08463   120.53991  -179.11221
   82    80 S   HC   _H15    67     1.08468   121.51899     1.01336
  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
  13   6   2   1   1  10   4  14  12  11   9   2  12   3   1  10
  18   9   8   9  16   7   3   2   1   3   2   1   1   3   2   1
   1  12   5   9   3   2   1   9   4   3   2   1   1   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    48    50    51    54    58  
   38    39    40    43    48    50  
   36    37  
   37  
    0  
   39    40    41    42    49    52    62    43    48    50  
   40    41    52    48  
   41    42    45    49    52    62    63    64    65    53    46    43    44    48  
   42    45    49    52    62    75    46    47    43    44    48    50  
   45    49    52    53    66    75    46    47    43    44    48  
   44    48    50    51    54    58    45    46    52  
   48    50  
   49    52    62    53    66    67    75    76    68    72    46    47  
   47    49    75  
    0  
   50    51    54    55    56    57    58    59    60    61  
   52    62    63    64    65    53    66    67    75    76    68    69    70    71    72    73    74    78  
   51    54    55    56    57    58    59    60    61  
   54    55    56    57    58    59    60    61  
   62    63    64    65    53    66    75    68    72  
   66    67    75    76    77    68    69    70    71    72    73    74    78    79    80    62  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    75    76    77    68    69    70    71    72    73    74    78  
   75    76    77    68    72  
   69    70    71    72    73    74    78    75    76  
   70    71    72  
   71    72  
   72  
   73    74    78    79    80    81    82    75    76  
   74    78    79    80  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   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  1.522
   33    48   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    52   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    49   469.000  1.400
   45    75   450.000  1.364
   49    52   469.000  1.400
   49    53   317.000  1.510
   52    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    66   250.000  1.527
   53    68   268.000  1.529
   53    72   268.000  1.529
   66    67   340.000  1.090
   66    75   320.000  1.380
   66    76   380.000  1.407
   76    77   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   317.000  1.510
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   340.000  1.080
   80    82   340.000  1.080
   46    47   553.000  0.945
   43    44   745.000  1.250
   43    48   465.000  1.376
   48    50   317.000  1.510
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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  110.18000
   29    33    48    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    70.00000  124.00000
   33    48    50    65.00000  117.92700
   38    33    34    90.00000  108.74100
   38    40    41    60.00000  119.52600
   38    40    52    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    52    49    63.00000  120.00000
   40    52    62    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    48    60.00000  123.20500
   42    45    49    63.00000  120.00000
   42    45    75    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    49    52    63.00000  120.00000
   45    49    53    70.00000  120.00000
   45    75    66   100.00000  112.36700
   49    52    62    70.00000  120.00000
   49    53    66    70.00000  112.17500
   49    53    68    70.00000  112.17500
   49    53    72    70.00000  112.17500
   52    40    41    63.00000  120.00000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    49    52    70.00000  120.00000
   53    66    67    45.00000  112.01100
   53    66    75    90.00000  108.56700
   53    66    76    90.00000  110.19100
   53    68    69    37.50000  110.70000
   53    68    70    37.50000  110.70000
   53    68    71    37.50000  110.70000
   53    72    73    37.50000  110.70000
   53    72    74    37.50000  110.70000
   53    72    78    70.00000  112.02700
   66    76    77    70.00000  107.92000
   75    45    49    70.00000  120.00000
   75    66    67    35.00000  109.50000
   76    66    67    60.00000  108.02500
   76    66    75   110.00000  112.08000
   68    53    66    75.00000  109.43000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    53    66    75.00000  109.43000
   72    53    68    58.35000  112.70000
   72    78    79    35.00000  117.00000
   72    78    80    70.00000  124.00000
   74    72    73    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   78    80    81    35.00000  120.00000
   78    80    82    35.00000  120.00000
   80    78    79    35.00000  120.00000
   82    80    81    35.00000  117.00000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    48    50    70.00000  124.00000
   48    33    34    85.00000  110.90400
   48    33    38    70.00000  109.06800
   48    43    44    65.00000  137.10300
   48    50    51    35.00000  109.50000
   48    50    54    70.00000  112.02700
   48    50    58    70.00000  112.02700
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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   0.01700  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    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    50   0.30250  1.0 1.0
   29    33    48    50  -0.14950 -1.0 2.0
   29    33    48    50   0.36900  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    52   2.26350  1.0 1.0
   33    38    40    52   0.76750 -1.0 2.0
   33    38    40    52   0.22500  1.0 3.0
   33    48    50    51   0.34800  1.0 3.0
   33    48    50    54   0.46850  1.0 1.0
   33    48    50    54   0.08550 -1.0 2.0
   33    48    50    54   0.09800  1.0 3.0
   33    48    50    58   0.46850  1.0 1.0
   33    48    50    58   0.08550 -1.0 2.0
   33    48    50    58   0.09800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    48    43   0.39000  1.0 1.0
   34    33    48    43  -0.05800 -1.0 2.0
   34    33    48    43  -0.55150  1.0 3.0
   34    33    48    50   0.09700  1.0 1.0
   34    33    48    50   0.15600 -1.0 2.0
   34    33    48    50  -0.50800  1.0 3.0
   38    33    48    43  -0.51250  1.0 1.0
   38    33    48    43  -0.88800 -1.0 2.0
   38    33    48    43   0.08850  1.0 3.0
   38    33    48    50   0.17250  1.0 1.0
   38    33    48    50  -0.04100 -1.0 2.0
   38    33    48    50  -0.33850  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    52    49   3.62500 -1.0 2.0
   38    40    52    62   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    52   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    48   0.15800  1.0 1.0
   40    41    43    48   1.85350 -1.0 2.0
   40    41    43    48  -0.48700  1.0 3.0
   40    52    62    63   0.00000  1.0 1.0
   40    52    62    64   0.00000  1.0 1.0
   40    52    62    65   0.00000  1.0 1.0
   41    40    52    49   3.62500 -1.0 2.0
   41    40    52    62   3.62500 -1.0 2.0
   41    42   -45    49   3.62500 -1.0 2.0
   41    42    45    75   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   7.00000 -1.0 2.0
   41    43    48    50   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    48   0.15800  1.0 1.0
   42    41    43    48   1.85350 -1.0 2.0
   42    41    43    48  -0.48700  1.0 3.0
   42    45    49    52   3.62500 -1.0 2.0
   42    45    49    53   3.62500 -1.0 2.0
   42    45    75    66   1.63200 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    49   -52    40   3.62500 -1.0 2.0
   45    49    52    62   3.62500 -1.0 2.0
   45    49   -53    66   0.04150 -1.0 2.0
   45    49    53    68   0.04150 -1.0 2.0
   45    49    53    72   0.04150 -1.0 2.0
   49    45   -75    66   1.63200 -1.0 2.0
   49    52    62    63   0.00000  1.0 1.0
   49    52    62    64   0.00000  1.0 1.0
   49    52    62    65   0.00000  1.0 1.0
   49    53    66    67   0.43200  1.0 3.0
   49    53   -66    75  -0.64350  1.0 1.0
   49    53   -66    75  -0.04200 -1.0 2.0
   49    53   -66    75   0.19800  1.0 3.0
   49    53    66    76   1.13150  1.0 1.0
   49    53    66    76  -1.01400 -1.0 2.0
   49    53    68    69   0.43200  1.0 3.0
   49    53    68    70   0.43200  1.0 3.0
   49    53    68    71   0.43200  1.0 3.0
   49    53    72    73   0.43200  1.0 3.0
   49    53    72    74   0.43200  1.0 3.0
   49    53    72    78   0.21200  1.0 1.0
   49    53    72    78   0.16900 -1.0 2.0
   49    53    72    78  -1.15100  1.0 3.0
   52    40   -41    42   3.62500 -1.0 2.0
   52    40    41    43   3.62500 -1.0 2.0
   52    49    53    66   0.04150 -1.0 2.0
   52    49    53    68   0.04150 -1.0 2.0
   52    49    53    72   0.04150 -1.0 2.0
   53    49    52    40   3.62500 -1.0 2.0
   53    49    52    62   3.62500 -1.0 2.0
   53    66   -75    45  -0.32850  1.0 1.0
   53    66   -75    45  -0.35800 -1.0 2.0
   53    66   -75    45   0.33950  1.0 3.0
   53    66    76    77  -0.11600  1.0 1.0
   53    66    76    77  -0.09450 -1.0 2.0
   53    66    76    77   0.21250  1.0 3.0
   53    72    78    79   0.00000  1.0 1.0
   53    72    78    80   0.09850  1.0 1.0
   53    72    78    80   0.15250 -1.0 2.0
   53    72    78    80  -0.50650  1.0 3.0
   66    53    68    69   0.15000  1.0 3.0
   66    53    68    70   0.15000  1.0 3.0
   66    53    68    71   0.15000  1.0 3.0
   66    53    72    73   0.15000  1.0 3.0
   66    53    72    74   0.15000  1.0 3.0
   66    53    72    78   0.34400  1.0 1.0
   66    53    72    78   0.09450 -1.0 2.0
   66    53    72    78   0.11100  1.0 3.0
   67    66    75    45   0.08050  1.0 3.0
   67    66    76    77   0.19450  1.0 3.0
   75    45    49    52   3.62500 -1.0 2.0
   75    45   -49    53   3.62500 -1.0 2.0
   75    66    76    77  -0.50000  1.0 1.0
   75    66    76    77  -0.73950 -1.0 2.0
   75    66    76    77   0.17150  1.0 3.0
   76    66    75    45  -0.25600  1.0 1.0
   76    66    75    45  -0.40050 -1.0 2.0
   76    66    75    45   0.34700  1.0 3.0
   68    53    66    67   0.15000  1.0 3.0
   68    53    66    75   0.62750  1.0 1.0
   68    53    66    75  -0.30950 -1.0 2.0
   68    53    66    75   0.27300  1.0 3.0
   68    53    66    76   0.86500  1.0 1.0
   68    53    66    76  -0.17500 -1.0 2.0
   68    53    66    76   0.20800  1.0 3.0
   68    53    72    73   0.15000  1.0 3.0
   68    53    72    74   0.15000  1.0 3.0
   68    53    72    78   0.34400  1.0 1.0
   68    53    72    78   0.09450 -1.0 2.0
   68    53    72    78   0.11100  1.0 3.0
   72    53    66    67   0.15000  1.0 3.0
   72    53    66    75   0.62750  1.0 1.0
   72    53    66    75  -0.30950 -1.0 2.0
   72    53    66    75   0.27300  1.0 3.0
   72    53    66    76   0.86500  1.0 1.0
   72    53    66    76  -0.17500 -1.0 2.0
   72    53    66    76   0.20800  1.0 3.0
   72    53    68    69   0.15000  1.0 3.0
   72    53    68    70   0.15000  1.0 3.0
   72    53    68    71   0.15000  1.0 3.0
   72    78    80    81   7.00000 -1.0 2.0
   72    78    80    82   7.00000 -1.0 2.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    80   0.00000  1.0 1.0
   74    72    78    79   0.33100  1.0 3.0
   74    72    78    80   0.00000  1.0 1.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    82   7.00000 -1.0 2.0
   46    42    45    49   3.62500 -1.0 2.0
   46    42    45    75   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    50    51   0.00000  1.0 1.0
   43    48    50    54   0.09850  1.0 1.0
   43    48    50    54   0.15250 -1.0 2.0
   43    48    50    54  -0.50650  1.0 3.0
   43    48    50    58   0.09850  1.0 1.0
   43    48    50    58   0.15250 -1.0 2.0
   43    48    50    58  -0.50650  1.0 3.0
   44    43    48    33   7.00000 -1.0 2.0
   44    43    48    50   7.00000 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   48    50    58    59   0.15000  1.0 3.0
   48    50    58    60   0.15000  1.0 3.0
   48    50    58    61   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   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    40    38    39  10.50000 -1.0 2.0
   41    52    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   49    75    45    42   4.00000 -1.0 2.0
   52    53    49    45   4.00000 -1.0 2.0
   49    62    52    40   4.00000 -1.0 2.0
   72    79    78    80  15.00000 -1.0 2.0
   81    82    80    78  15.00000 -1.0 2.0
   41    44    43    48   1.10000 -1.0 2.0
   33    50    48    43   1.10000 -1.0 2.0
END
