* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    228     417
    1     0 S   NP   _N1_     1    28.63157    96.20733   -23.89638
    2     1 S   H    _HN1     2     1.02791   108.01351   -93.47180
    3     1 S   H    _H1_     3     1.02948    72.71106    10.76485
    4     1 S   H    _H2_     4     1.02827    36.47402   170.58078
    5     1 S   CT   _CA1     5     1.50125   135.57753   112.53330
    6     5 S   HC   _HA1     6     1.09573   105.17523    91.91272
    7     5 S   CO3  _C1_     7     1.53781   112.47763   -28.31778
    8     7 S   O2Z  _O11     8     1.26378   115.00186   -42.05054
    9     7 S   O2Z  _O12     9     1.26238   114.95076   137.02040
   10     5 S   CT   _CB1    10     1.53067   107.40923  -150.08785
   11    10 S   HC   HB11    11     1.09839   109.36632   -49.28287
   12    10 S   HC   HB12    12     1.09812   110.45517    67.32489
   13    10 S   CT   _CG1    13     1.53005   112.62384  -170.22288
   14    13 S   HC   HG11    14     1.09573   110.70001   -66.51026
   15    13 S   HC   HG12    15     1.09670   109.72811    52.73661
   16    13 S   C    _CD1    16     1.51803   112.08620   173.22940
   17    16 S   O    _OE1    17     1.22746   123.21835    10.40681
   18    16 S   N    _N2_    18     1.38633   111.76392  -169.66835
   19    18 S   H    _HN2    19     1.01577   119.00312     1.35451
   20    18 S   CT1  _CA2    20     1.46250   123.43075   177.27624
   21    20 S   HC   _HA2    21     1.09740   109.31695     6.83136
   22    20 S   C    _C2_    22     1.53647   108.77189  -108.69236
   23    22 S   O    _O2_    23     1.23065   122.30053  -148.40166
   24    20 S   CT   _CB2    32     1.53422   111.53310   128.78350
   25    24 S   HC   HB21    33     1.09465   109.59631    57.09892
   26    24 S   HC   HB22    34     1.09327   109.71422   175.53025
   27    22 S   N    _N3_    24     1.38340   113.82590    39.08131
   28    27 S   H    _HN3    25     1.01547   119.62081    -3.14093
   29    24 S   S    _SG2    35     1.83389   110.96286   -64.12593
   30    27 S   CT   _CA3    26     1.45281   123.24506   177.21990
   31    30 S   HC   HA31    27     1.09548   107.49942   -65.06980
   32    30 S   HC   HA32    28     1.09556   108.00764    51.38258
   33    29 S   CT   _C21    36     1.91902   101.26997  -178.79764
   34    30 S   CO3  _C3_    29     1.52970   114.06258   173.39336
   35    34 S   O2Z  _O31    30     1.26381   116.08524    -0.48779
   36    34 S   O2Z  _O32    31     1.26429   114.40961   179.57525
   37    33 S   CA   _C12    37     1.54305   107.76471   176.80145
   38    33 S   CO4  _C17    73     1.52921   103.33204   -60.25899
   39    38 S   O    _O22    74     1.23181   123.57256   -38.09227
   40    37 S   CA   _C11    38     1.42419   117.21708   -73.12405
   41    40 S   CA   _C7_    39     1.40833   120.22403   177.15876
   42    41 S   HA   _H32    40     1.08817   119.84126  -178.06134
   43    40 S   CT   _C19    52     1.52000   119.93074     0.39811
   44    43 S   HC   _H34    53     1.09686   107.67134    88.54063
   45    41 S   CA   _C13    41     1.39595   121.32127     1.92529
   46    43 S   CT   _C20    54     1.54573   114.05336   -34.98287
   47    46 S   HC   _H35    55     1.09812   107.04411  -101.08428
   48    43 S   OH   _O24    77     1.43420   110.75127  -156.68597
   49    48 S   HO   _H42    78     0.97306   106.94881  -177.53542
   50    45 S   CA   _C8_    42     1.39448   118.65999     0.42704
   51    50 S   HA   _H33    43     1.08791   119.17215   178.60142
   52    45 S   CT   _C23    47     1.50059   120.80530   178.86875
   53    52 S   HC   _H39    48     1.09529   111.16338    21.39915
   54    52 S   HC   _H40    49     1.09547   110.50190   141.15870
   55    33 S   CM   _C18    56     1.52474   109.55337    59.41014
   56    46 S   OH   _O25    75     1.43080   108.26151   145.04333
   57    56 S   HO   _H43    76     0.97425   106.43057   178.66470
   58    37 S   CA   _C15    44     1.40658   125.40869   107.13452
   59    52 S   OH   _O26    50     1.41944   109.16064   -98.77608
   60    59 S   HO   _H44    51     0.97218   107.02746   179.55281
   61    55 S   CMA  _C16    57     1.36754   126.49227  -126.16720
   62    61 S   OM   _O21    58     1.26867   124.78857   173.86266
   63    58 S   OH   _O23    45     1.36731   121.04297     2.35983
   64    63 S   HO   _H41    46     0.97177   109.58831  -178.83484
   65    61 S   CA   _C10    59     1.52259   115.49867    -7.98382
   66    65 S   CA   _C9_    60     1.40225   121.40362    16.18928
   67    66 S   CA   _C5_    61     1.40919   122.30672   177.49821
   68    67 S   HA   _H30    62     1.08759   121.01294  -179.76845
   69    67 S   CA   _C4_    63     1.38721   120.60433     0.55743
   70    69 S   HA   _H29    64     1.08542   120.41786  -179.61794
   71    69 S   CA   _C6_    65     1.38430   119.12435     0.88337
   72    71 S   HA   _H31    66     1.08686   119.56024   179.75371
   73    65 S   CA   _C14    67     1.42341   123.33713  -163.54181
   74    73 S   OS   _O27    68     1.37798   121.95124     1.16483
   75    74 S   CT   _C22    69     1.42895   110.30215   100.10774
   76    75 S   HC   _H36    70     1.09409   107.78783  -170.65738
   77    75 S   HC   _H37    71     1.09508   110.89567    71.34412
   78    75 S   HC   _H38    72     1.09596   111.70000   -52.11195
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   2   1   1  18  12   4  15  13   4  11   6   9   9   5   3
   1   8   3   5   3   2   8   2   1   2   1   1   7   3   1   1
   9   7   6   3   5   3   4   2   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    46    55    61    66    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    58    63    43    46    47    55    61    62    65    66    67    38    39    56  
   35    36  
   36  
    0  
   40    41    42    45    50    51    58    63    64    43    44    46    55    61    66    38    39    48  
   39    40    46    55    58    61    65    66    67    68    69    73  
   55    65    66    67  
   41    42    45    50    58    63    52    43    44    46    47    55    56    48    49  
   42    45    50    51    58    52    53    54    59    43    44    46    48  
   45    50    52    43  
   44    46    47    55    61    56    57    48    49    45    58  
   46    47    55    56    48    49  
   50    51    58    63    52    53    54    59    60  
   47    55    61    62    65    56    57    48    49  
   55    61    56    57    48  
   49    55    56  
    0  
   51    58    63    64    52    53    54    59  
   58    63    52  
   53    54    59    60    58  
   54    59    60  
   59    60  
   61    62    65    66    73    56    57    58  
   57    61  
    0  
   63    64  
   60  
    0  
   62    65    66    67    71    73    74  
   65    66    73  
   64  
    0  
   66    67    68    69    71    72    73    74    75  
   67    68    69    70    71    73    74  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75  
   73    74  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    58   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   450.000  1.364
   63    64   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   320.000  1.410
   59    60   553.000  0.945
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    55   317.000  1.510
   46    56   320.000  1.410
   55    61   465.000  1.376
   61    62   745.000  1.250
   61    65   320.000  1.460
   65    66   469.000  1.400
   65    73   469.000  1.400
   66    67   469.000  1.400
   66    38   310.000  1.470
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   450.000  1.364
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   38    39   570.000  1.229
   56    57   553.000  0.945
   48    49   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    80.00000  109.48900
   29    33    55    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    55    46    65.00000  117.92700
   33    55    61    70.00000  124.00000
   33    38    66    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    58    50    63.00000  120.00000
   37    58    63    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    59    90.00000  112.51600
   50    58    63    70.00000  120.00000
   58    37    40    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    59    60    55.00000  108.50000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    55    70.00000  112.02700
   43    46    56    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    55    61    70.00000  124.00000
   46    56    57    55.00000  108.50000
   55    33    37    70.00000  112.99600
   55    46    47    35.00000  109.50000
   55    61    62    65.00000  137.10300
   55    61    65    60.00000  123.20500
   61    65    66    60.00000  120.93500
   61    65    73    60.00000  120.93500
   65    61    62    85.00000  114.86500
   65    66    67    63.00000  120.00000
   65    66    38    60.00000  119.52600
   65    73    71    63.00000  120.00000
   65    73    74    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    38    39    75.00000  123.78400
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    70.00000  120.00000
   73    65    66    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    75.00000  111.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    33    55    70.00000  109.06800
   38    66    67    60.00000  119.52600
   56    46    47    35.00000  109.50000
   56    46    55    90.00000  110.39200
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    55    46   0.30250  1.0 1.0
   29    33    55    46  -0.14950 -1.0 2.0
   29    33    55    46   0.36900  1.0 3.0
   29    33    55    61   0.42700  1.0 1.0
   29    33    55    61  -0.70350 -1.0 2.0
   29    33    55    61  -0.43150  1.0 3.0
   29    33    38    66   0.65300  1.0 1.0
   29    33    38    66  -0.03850 -1.0 2.0
   29    33    38    66   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    58    50   3.62500 -1.0 2.0
   33    37    58    63   3.62500 -1.0 2.0
   33    55    61    62   7.00000 -1.0 2.0
   33    55    61    65   7.00000 -1.0 2.0
   37    33    55    46   0.09700  1.0 1.0
   37    33    55    46   0.15600 -1.0 2.0
   37    33    55    46  -0.50800  1.0 3.0
   37    33    55    61   1.44450  1.0 1.0
   37    33    55    61   0.06600 -1.0 2.0
   37    33    55    61   0.29250  1.0 3.0
   37    33    38    66   0.65300  1.0 1.0
   37    33    38    66  -0.03850 -1.0 2.0
   37    33    38    66   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.14300 -1.0 2.0
   37    40    43    48   0.00300  1.0 3.0
   37    58    63    64   0.84100 -1.0 2.0
   40    37    58    50   3.62500 -1.0 2.0
   40    37    58    63   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    55   0.21200  1.0 1.0
   40    43    46    55   0.16900 -1.0 2.0
   40    43    46    55  -1.15100  1.0 3.0
   40    43    46    56   1.13150  1.0 1.0
   40    43    46    56  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.14300 -1.0 2.0
   41    40    43    48   0.00300  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    58   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    59   0.14300 -1.0 2.0
   41    45    52    59   0.00300  1.0 3.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -58    37   3.62500 -1.0 2.0
   45    50    58    63   3.62500 -1.0 2.0
   45    52    59    60   0.31900  1.0 1.0
   45    52    59    60  -0.11800 -1.0 2.0
   45    52    59    60   0.38750  1.0 3.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    59   0.14300 -1.0 2.0
   50    45    52    59   0.00300  1.0 3.0
   50    58    63    64   0.84100 -1.0 2.0
   51    50    58    37   3.62500 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   58    37   -40    41   3.62500 -1.0 2.0
   58    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    58   3.62500 -1.0 2.0
   53    52    59    60   0.19450  1.0 3.0
   54    52    59    60   0.19450  1.0 3.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -55    33   0.46850  1.0 1.0
   43    46   -55    33   0.08550 -1.0 2.0
   43    46   -55    33   0.09800  1.0 3.0
   43    46    55    61   0.09850  1.0 1.0
   43    46    55    61   0.15250 -1.0 2.0
   43    46    55    61  -0.50650  1.0 3.0
   43    46    56    57  -0.11600  1.0 1.0
   43    46    56    57  -0.09450 -1.0 2.0
   43    46    56    57   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    46    56   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    55    61    62   7.00000 -1.0 2.0
   46    55    61    65   7.00000 -1.0 2.0
   47    46    55    33   0.34800  1.0 3.0
   47    46    55    61   0.00000  1.0 1.0
   47    46    56    57   0.19450  1.0 3.0
   55    33   -37    40   0.18050 -1.0 2.0
   55    33    37    58   0.18050 -1.0 2.0
   55    33    38    66   0.65300  1.0 1.0
   55    33    38    66  -0.03850 -1.0 2.0
   55    33    38    66   0.33900  1.0 3.0
   55    33    38    39   0.30150 -1.0 2.0
   55    46    56    57  -0.07800  1.0 1.0
   55    46    56    57  -0.21500 -1.0 2.0
   55    46    56    57  -0.03150  1.0 3.0
   55    61   -65    66   0.15800  1.0 1.0
   55    61   -65    66   1.85350 -1.0 2.0
   55    61   -65    66  -0.48700  1.0 3.0
   55    61    65    73   0.15800  1.0 1.0
   55    61    65    73   1.85350 -1.0 2.0
   55    61    65    73  -0.48700  1.0 3.0
   61    65    66    67   3.62500 -1.0 2.0
   61    65    66    38   3.62500 -1.0 2.0
   61    65    73    71   3.62500 -1.0 2.0
   61    65    73    74   3.62500 -1.0 2.0
   62    61    65    66  -0.01750  1.0 1.0
   62    61    65    66  -0.32000 -1.0 2.0
   62    61    65    66   0.00600  1.0 3.0
   62    61    65    73  -0.01750  1.0 1.0
   62    61    65    73  -0.32000 -1.0 2.0
   62    61    65    73   0.00600  1.0 3.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    69   3.62500 -1.0 2.0
   65    66   -38    33   2.26350  1.0 1.0
   65    66   -38    33   0.76750 -1.0 2.0
   65    66   -38    33   0.22500  1.0 3.0
   65    66    38    39   1.05000 -1.0 2.0
   65    73    74    75   1.63200 -1.0 2.0
   66    65    73    71   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    71   3.62500 -1.0 2.0
   67    66    38    33   2.26350  1.0 1.0
   67    66    38    33   0.76750 -1.0 2.0
   67    66    38    33   0.22500  1.0 3.0
   67    66    38    39   1.05000 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71   -73    65   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    75   1.63200 -1.0 2.0
   72    71    73    65   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    65   -66    67   3.62500 -1.0 2.0
   73    65    66    38   3.62500 -1.0 2.0
   73    74    75    76   0.08050  1.0 3.0
   73    74    75    77   0.08050  1.0 3.0
   73    74    75    78   0.08050  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    58   0.04300 -1.0 2.0
   38    33    55    46   0.17250  1.0 1.0
   38    33    55    46  -0.04100 -1.0 2.0
   38    33    55    46  -0.33850  1.0 3.0
   38    33   -55    61  -0.51250  1.0 1.0
   38    33   -55    61  -0.88800 -1.0 2.0
   38    33   -55    61   0.08850  1.0 3.0
   38    66    67    68   3.62500 -1.0 2.0
   38    66    67    69   3.62500 -1.0 2.0
   56    46    55    33   0.18000  1.0 1.0
   56    46    55    33   0.16450 -1.0 2.0
   56    46    55    33   0.04450  1.0 3.0
   56    46    55    61   0.67800  1.0 1.0
   56    46    55    61   0.47050 -1.0 2.0
   56    46    55    61  -0.62500  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    55   1.05650  1.0 1.0
   48    43    46    55   0.15600 -1.0 2.0
   48    43    46    55   0.53150  1.0 3.0
   48    43    46    56   3.75450  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   50    63    58    37   4.00000 -1.0 2.0
   33    46    55    61   1.10000 -1.0 2.0
   65    62    61    55   1.10000 -1.0 2.0
   66    73    65    61   4.00000 -1.0 2.0
   67    38    66    65   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    65   4.00000 -1.0 2.0
   33    66    38    39  10.50000 -1.0 2.0
END
