* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    149    227     431
    1     0 S   NP   _N1_     1    28.59793    96.71051   -20.86928
    2     1 S   H    _HN1     2     1.02959    76.79160    21.52109
    3     1 S   H    _H1_     3     1.02836    45.22872   152.57986
    4     1 S   H    _H2_     4     1.02778    86.80400   -88.14760
    5     1 S   CT   _CA1     5     1.50116   154.73512   131.47014
    6     5 S   HC   _HA1     6     1.09575   105.23112    75.01909
    7     5 S   CO3  _C1_     7     1.53781   112.40370   -45.19182
    8     7 S   O2Z  _O11     8     1.26358   115.00267   -43.69726
    9     7 S   O2Z  _O12     9     1.26239   114.91974   135.50089
   10     5 S   CT   _CB1    10     1.53096   107.43158  -167.07294
   11    10 S   HC   HB11    11     1.09826   109.31597   -50.89620
   12    10 S   HC   HB12    12     1.09818   110.42007    65.64643
   13    10 S   CT   _CG1    13     1.53013   112.68391  -172.00306
   14    13 S   HC   HG11    14     1.09596   110.45162   -64.11481
   15    13 S   HC   HG12    15     1.09654   109.96833    55.10626
   16    13 S   C    _CD1    16     1.51821   112.33008   175.45209
   17    16 S   O    _OE1    17     1.22717   123.25778    -1.58066
   18    16 S   N    _N2_    18     1.38632   111.63492   178.69449
   19    18 S   H    _HN2    19     1.01577   119.00233     1.54142
   20    18 S   CT1  _CA2    20     1.46186   123.41905   179.68596
   21    20 S   HC   _HA2    21     1.09738   109.44184    -3.45712
   22    20 S   C    _C2_    22     1.53464   108.43321  -119.04040
   23    22 S   O    _O2_    23     1.23032   122.22814  -144.60307
   24    20 S   CT   _CB2    32     1.53312   111.52232   118.57107
   25    24 S   HC   HB21    33     1.09525   110.11934    55.76729
   26    24 S   HC   HB22    34     1.09537   110.03156   174.72883
   27    22 S   N    _N3_    24     1.38498   113.47820    42.72940
   28    27 S   H    _HN3    25     1.01499   118.99864    -0.45024
   29    24 S   S    _SG2    35     1.82801   111.70256   -65.73230
   30    27 S   CT   _CA3    26     1.45447   123.39633   175.04718
   31    30 S   HC   HA31    27     1.09524   109.22435    25.28091
   32    30 S   HC   HA32    28     1.09495   107.14335   142.28515
   33    29 S   CT   _C12    36     1.85128    99.46564   178.60142
   34    33 S   HC   _H3_    37     1.08637   103.21994    31.14349
   35    30 S   CO3  _C3_    29     1.52920   113.04547   -98.17437
   36    35 S   O2Z  _O31    30     1.26406   115.36591   -45.71802
   37    35 S   O2Z  _O32    31     1.26349   115.00949   135.17775
   38    33 S   CM   _C4_    38     1.53258   109.19882   149.22550
   39    33 S   CT   _C10    51     1.54489   110.22205   -83.80090
   40    39 S   HC   _H26    52     1.09813   109.42891    40.06195
   41    39 S   HC   _H27    53     1.09602   111.15911   -75.73306
   42    38 S   CMA  _C5_    39     1.36833   125.25655  -122.21940
   43    42 S   OM   _O18    40     1.26740   128.44974   179.10431
   44    38 S   CT   _C17    76     1.52708   115.30102    58.93870
   45    44 S   HC   _H34    77     1.09414   110.93185   -71.39515
   46    44 S   HC   _H35    78     1.09469   113.29811   168.58867
   47    44 S   HC   _H36    79     1.09315   111.21534    49.62036
   48    42 S   CT   _C13    41     1.54937   122.90728    -2.18463
   49    48 S   HC   _H31    42     1.09786   110.98927   179.51543
   50    48 S   C4T  _C15    43     1.54153   111.57353   -59.87827
   51    50 S   HC   _H33    44     1.09827   108.58159    95.54639
   52    48 S   OS   _O20    69     1.44971   110.18554    59.96872
   53    50 S   C4T  _C14    45     1.56650   119.68572   -35.39892
   54    53 S   HC   _H32    46     1.10077   111.46343   -35.89992
   55    50 S   C4T  _C16    60     1.58333   119.56594  -139.94339
   56    52 S   CO4  _C8_    70     1.36057   118.45864    92.27973
   57    56 S   O    _O19    71     1.22284   126.98433     2.89401
   58    53 S   CM   _C6_    47     1.49929   118.39348    94.57328
   59    53 S   C4T  _C11    57     1.55052    87.30815  -147.53143
   60    59 S   HC   _H28    58     1.09471   115.16349   143.36585
   61    59 S   HC   _H29    59     1.09755   114.54437   -90.57508
   62    55 S   CT   _C19    61     1.53087   118.29273    33.47210
   63    62 S   HC   _H40    62     1.09530   110.97204   -75.23766
   64    62 S   HC   _H41    63     1.09571   110.66344   165.42096
   65    62 S   HC   _H42    64     1.09462   112.21943    45.39910
   66    55 S   CT   _C20    65     1.52836   113.30864   -98.40601
   67    66 S   HC   _H43    66     1.09533   110.72365    72.48432
   68    66 S   HC   _H44    67     1.09548   111.75232   -47.49311
   69    66 S   HC   _H45    68     1.09534   110.94132  -167.46656
   70    56 S   CT   _C18    72     1.49906   109.13023  -177.29065
   71    70 S   HC   _H37    73     1.09293   109.84020   -60.97075
   72    70 S   HC   _H38    74     1.09375   109.38323   179.93744
   73    70 S   HC   _H39    75     1.09307   109.81236    60.89758
   74    58 S   CT   _C9_    48     1.50744   121.47987    25.20717
   75    74 S   HC   _H24    49     1.09534   110.76779    27.53798
   76    74 S   HC   _H25    50     1.09962   108.14537   140.73176
   77    58 S   CM   _C7_    54     1.34330   117.44340  -157.91880
   78    77 S   HC   _H22    55     1.08519   121.84237     1.64199
   79    77 S   HC   _H23    56     1.08520   121.11684  -178.75557
  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
  16   7   2   1   1  14  10   5   4  13   5   4   2   1   1  14
   6  20   8   8  14   7  12   5   4   9  12   3   2   7   3   2
   1   3   2   1   1   3   2   1   1   5   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    74    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    48    58    74    75    76    39    40    41    44    45    46    47  
   38    42    74    39    40    41    44  
   36    37  
   37  
    0  
   42    43    48    49    50    74    39    40    41    52    44    45    46    47  
   40    41    77    44    42    53    58    74    75    76  
   41    58    74    75    76  
   58    74    75    76  
   43    48    49    50    51    53    55    52    56    44    45    46    47  
   48    49    50    52    44  
   45    46    47    48  
   46    47  
   47  
    0  
   49    50    51    53    54    58    59    55    62    66    52    56    57    70  
   50    51    53    55    52    56  
   51    53    54    58    74    77    59    60    61    55    62    63    64    65    66    67    68    69    52    56  
   53    54    58    59    55    62    66    52  
   56    57    70    71    72    73    53    55  
   54    58    74    75    76    77    78    79    59    60    61    55    62    66  
   58    74    77    59    60    61    55  
   62    63    64    65    66    67    68    69    58    59    60    61  
   57    70    71    72    73  
   70    71    72    73  
   74    75    76    77    78    79    59    60    61  
   60    61    62    63    64    65    66    67    68    69    74    77  
   61    62    66  
   62    66  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77  
   77  
   78    79  
   79  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.121200   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  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   260.000  1.519
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    55   268.000  1.529
   53    54   340.000  1.090
   53    58   317.000  1.510
   53    59   268.000  1.529
   58    74   317.000  1.510
   58    77   549.000  1.340
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   77    78   340.000  1.080
   77    79   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    55   268.000  1.529
   55    62   260.000  1.519
   55    66   260.000  1.519
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    74    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    85.00000  112.85300
   48    50    51    45.00000  112.72800
   48    50    53    65.00000  119.52000
   48    50    55    65.00000  119.52000
   48    52    56    83.00000  116.90000
   50    48    49    45.00000  111.22300
   50    53    54    37.50000  110.70000
   50    53    58    70.00000  112.02700
   50    53    59    63.00000   92.00000
   50    55    59    63.00000   92.00000
   50    55    62    65.00000  119.52000
   50    55    66    65.00000  119.52000
   53    50    51    37.50000  110.70000
   53    58    74    65.00000  117.92700
   53    58    77    70.00000  124.00000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    55    63.00000   92.00000
   58    53    54    35.00000  109.50000
   58    74    75    35.00000  109.50000
   58    74    76    35.00000  109.50000
   58    74    39    70.00000  112.02700
   58    77    78    35.00000  120.00000
   58    77    79    35.00000  120.00000
   74    39    40    37.50000  110.70000
   74    39    41    37.50000  110.70000
   76    74    75    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    74    75    37.50000  110.70000
   39    74    76    37.50000  110.70000
   41    39    40    33.00000  107.80000
   77    58    74    70.00000  124.00000
   79    77    78    35.00000  117.00000
   59    53    54    37.50000  110.70000
   59    53    58    70.00000  112.02700
   59    55    62    65.00000  119.52000
   59    55    66    65.00000  119.52000
   61    59    60    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    53    63.00000   92.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    62    63    45.00000  111.22300
   55    62    64    45.00000  111.22300
   55    62    65    45.00000  111.22300
   55    66    67    45.00000  111.22300
   55    66    68    45.00000  111.22300
   55    66    69    45.00000  111.22300
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    55    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    70    81.00000  111.40000
   56    70    71    35.00000  109.50000
   56    70    72    35.00000  109.50000
   56    70    73    35.00000  109.50000
   70    56    57    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    74   0.44750  1.0 1.0
   29    33    39    74  -0.17800 -1.0 2.0
   29    33    39    74   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    74   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    74   0.34400  1.0 1.0
   38    33    39    74   0.09450 -1.0 2.0
   38    33    39    74   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.09850  1.0 1.0
   38    42    48    50   0.15250 -1.0 2.0
   38    42    48    50  -0.50650  1.0 3.0
   38    42    48    52   0.39000  1.0 1.0
   38    42    48    52  -0.05800 -1.0 2.0
   38    42    48    52  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    48    50    51   0.15000  1.0 3.0
   42    48    50    53   0.34400  1.0 1.0
   42    48    50    53   0.09450 -1.0 2.0
   42    48    50    53   0.11100  1.0 3.0
   42    48    50    55   0.34400  1.0 1.0
   42    48    50    55   0.09450 -1.0 2.0
   42    48    50    55   0.11100  1.0 3.0
   42    48    52    56  -0.82050  1.0 1.0
   42    48    52    56   0.00600 -1.0 2.0
   42    48    52    56   0.04400  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.09700  1.0 1.0
   43    42    48    50   0.15600 -1.0 2.0
   43    42    48    50  -0.50800  1.0 3.0
   43    42    48    52   0.09700  1.0 1.0
   43    42    48    52   0.15600 -1.0 2.0
   43    42    48    52  -0.50800  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    58   0.34400  1.0 1.0
   48    50    53    58   0.09450 -1.0 2.0
   48    50    53    58   0.11100  1.0 3.0
   48    50    53    59  -0.70950  1.0 1.0
   48    50    53    59   0.38400 -1.0 2.0
   48    50   -55    59  -0.70950  1.0 1.0
   48    50   -55    59   0.38400 -1.0 2.0
   48    50    55    62   0.56750  1.0 1.0
   48    50    55    62  -0.07550 -1.0 2.0
   48    50    55    62   0.20000  1.0 3.0
   48    50    55    66   0.56750  1.0 1.0
   48    50    55    66  -0.07550 -1.0 2.0
   48    50    55    66   0.20000  1.0 3.0
   48    52    56    57   3.00000 -1.0 2.0
   48    52    56    70   1.63150  1.0 1.0
   48    52    56    70   2.92000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    50    55   0.00000  1.0 1.0
   49    48    52    56   0.08050  1.0 3.0
   50    48    52    56  -0.25900  1.0 1.0
   50    48    52    56  -0.47000 -1.0 2.0
   50    48    52    56   0.11750  1.0 3.0
   50    53    58    74   0.46850  1.0 1.0
   50    53    58    74   0.08550 -1.0 2.0
   50    53    58    74   0.09800  1.0 3.0
   50    53    58    77   0.09850  1.0 1.0
   50    53    58    77   0.15250 -1.0 2.0
   50    53    58    77  -0.50650  1.0 3.0
   50    53    59    60   0.15000  1.0 3.0
   50    53    59    61   0.15000  1.0 3.0
   50    53   -59    55   0.00000  1.0 1.0
   50    55    62    63   0.00000  1.0 1.0
   50    55    62    64   0.00000  1.0 1.0
   50    55    62    65   0.00000  1.0 1.0
   50    55    66    67   0.00000  1.0 1.0
   50    55    66    68   0.00000  1.0 1.0
   50    55    66    69   0.00000  1.0 1.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   51    50    53    59   0.15000  1.0 3.0
   51    50   -55    59   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   51    50    55    66   0.15000  1.0 3.0
   53    50   -55    59   0.00000  1.0 1.0
   53    50    55    62  -0.70950  1.0 1.0
   53    50    55    62   0.38400 -1.0 2.0
   53    50    55    66  -0.70950  1.0 1.0
   53    50    55    66   0.38400 -1.0 2.0
   53    58    74    75   0.34800  1.0 3.0
   53    58    74    76   0.34800  1.0 3.0
   53    58    74    39   0.46850  1.0 1.0
   53    58    74    39   0.08550 -1.0 2.0
   53    58    74    39   0.09800  1.0 3.0
   53    58    77    78   7.00000 -1.0 2.0
   53    58    77    79   7.00000 -1.0 2.0
   53    59   -55    50   0.00000  1.0 1.0
   53    59   -55    62  -0.70950  1.0 1.0
   53    59   -55    62   0.38400 -1.0 2.0
   53    59   -55    66  -0.70950  1.0 1.0
   53    59   -55    66   0.38400 -1.0 2.0
   54    53    58    74   0.34800  1.0 3.0
   54    53    58    77   0.00000  1.0 1.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    55   0.15000  1.0 3.0
   58    53    59    60   0.15000  1.0 3.0
   58    53    59    61   0.15000  1.0 3.0
   58    53    59    55   0.34400  1.0 1.0
   58    53    59    55   0.09450 -1.0 2.0
   58    53    59    55   0.11100  1.0 3.0
   58    74    39    33   0.34400  1.0 1.0
   58    74    39    33   0.09450 -1.0 2.0
   58    74    39    33   0.11100  1.0 3.0
   58    74    39    40   0.15000  1.0 3.0
   58    74    39    41   0.15000  1.0 3.0
   74    58    77    78   7.00000 -1.0 2.0
   74    58    77    79   7.00000 -1.0 2.0
   75    74    39    33   0.15000  1.0 3.0
   75    74    39    40   0.15000  1.0 3.0
   75    74    39    41   0.15000  1.0 3.0
   76    74    39    33   0.15000  1.0 3.0
   76    74    39    40   0.15000  1.0 3.0
   76    74    39    41   0.15000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   77    58    74    75   0.00000  1.0 1.0
   77    58    74    76   0.00000  1.0 1.0
   77    58    74    39   0.09850  1.0 1.0
   77    58    74    39   0.15250 -1.0 2.0
   77    58    74    39  -0.50650  1.0 3.0
   59    53    58    74   0.46850  1.0 1.0
   59    53    58    74   0.08550 -1.0 2.0
   59    53    58    74   0.09800  1.0 3.0
   59    53    58    77   0.09850  1.0 1.0
   59    53    58    77   0.15250 -1.0 2.0
   59    53    58    77  -0.50650  1.0 3.0
   59    55    62    63   0.00000  1.0 1.0
   59    55    62    64   0.00000  1.0 1.0
   59    55    62    65   0.00000  1.0 1.0
   59    55    66    67   0.00000  1.0 1.0
   59    55    66    68   0.00000  1.0 1.0
   59    55    66    69   0.00000  1.0 1.0
   60    59   -55    50   0.15000  1.0 3.0
   60    59    55    62   0.15000  1.0 3.0
   60    59    55    66   0.15000  1.0 3.0
   61    59   -55    50   0.15000  1.0 3.0
   61    59    55    62   0.15000  1.0 3.0
   61    59    55    66   0.15000  1.0 3.0
   55    50   -53    54   0.15000  1.0 3.0
   55    50   -53    58   0.34400  1.0 1.0
   55    50   -53    58   0.09450 -1.0 2.0
   55    50   -53    58   0.11100  1.0 3.0
   55    50   -53    59   0.00000  1.0 1.0
   62    55    66    67   0.15000  1.0 3.0
   62    55    66    68   0.15000  1.0 3.0
   62    55    66    69   0.15000  1.0 3.0
   66    55    62    63   0.15000  1.0 3.0
   66    55    62    64   0.15000  1.0 3.0
   66    55    62    65   0.15000  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.62750  1.0 1.0
   52    48    50    53  -0.30950 -1.0 2.0
   52    48    50    53   0.27300  1.0 3.0
   52    48    50    55   0.62750  1.0 1.0
   52    48    50    55  -0.30950 -1.0 2.0
   52    48    50    55   0.27300  1.0 3.0
   52    56    70    71   0.00000  1.0 1.0
   52    56    70    72   0.00000  1.0 1.0
   52    56    70    73   0.00000  1.0 1.0
   57    56    70    71   0.00000  1.0 1.0
   57    56    70    72   0.00000  1.0 1.0
   57    56    70    73   0.00000  1.0 1.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    48   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    44    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   53    74    58    77   1.10000 -1.0 2.0
   78    79    77    58   1.10000 -1.0 2.0
   52    70    56    57  10.50000 -1.0 2.0
END
