* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    28.76557    96.14447   -24.16740
    2     1 S   H    _HN1     2     1.02951    70.83566    20.94930
    3     1 S   H    _H1_     3     1.02829    37.83225  -176.47114
    4     1 S   H    _H2_     4     1.02783   109.65975   -82.35442
    5     1 S   CT   _CA1     5     1.50116   134.68349   121.03691
    6     5 S   HC   _HA1     6     1.09574   105.19810    94.76721
    7     5 S   CO3  _C1_     7     1.53790   112.46639   -25.45979
    8     7 S   O2Z  _O11     8     1.26371   114.99994   -42.17970
    9     7 S   O2Z  _O12     9     1.26242   114.94973   136.96599
   10     5 S   CT   _CB1    10     1.53087   107.42730  -147.24713
   11    10 S   HC   HB11    11     1.09831   109.36938   -49.78940
   12    10 S   HC   HB12    12     1.09814   110.44348    66.81988
   13    10 S   CT   _CG1    13     1.52988   112.60722  -170.78384
   14    13 S   HC   HG11    14     1.09585   110.59708   -65.47147
   15    13 S   HC   HG12    15     1.09670   109.81353    53.75561
   16    13 S   C    _CD1    16     1.51801   112.27833   174.19728
   17    16 S   O    _OE1    17     1.22728   123.30041     5.64184
   18    16 S   N    _N2_    18     1.38658   111.63302  -174.46204
   19    18 S   H    _HN2    19     1.01580   118.94164     1.65611
   20    18 S   CT1  _CA2    20     1.46181   123.37778   177.74710
   21    20 S   HC   _HA2    21     1.09739   109.37994     0.18345
   22    20 S   C    _C2_    22     1.53511   108.54283  -115.28733
   23    22 S   O    _O2_    23     1.23051   122.29282  -147.77642
   24    20 S   CT   _CB2    32     1.53354   111.63016   122.23497
   25    24 S   HC   HB21    33     1.09573   110.05613    56.21300
   26    24 S   HC   HB22    34     1.09430   109.77265   175.40373
   27    22 S   N    _N3_    24     1.38332   113.64812    39.65218
   28    27 S   H    _HN3    25     1.01599   119.56420    -3.39742
   29    24 S   S    _SG2    35     1.82685   111.39258   -64.87084
   30    27 S   CT   _CA3    26     1.45285   123.18743   177.09014
   31    30 S   HC   HA31    27     1.09550   107.51291   -64.41447
   32    30 S   HC   HA32    28     1.09557   107.97841    52.01760
   33    29 S   CT   _C8_    36     1.84121   100.50523   171.09960
   34    33 S   HC   _H6_    37     1.09799   104.11538   -50.11954
   35    30 S   CO3  _C3_    29     1.52954   114.08986   174.00665
   36    35 S   O2Z  _O31    30     1.26375   116.06135    -0.84186
   37    35 S   O2Z  _O32    31     1.26429   114.41236   179.22041
   38    33 S   CM   _C9_    38     1.52306   111.91875    69.03466
   39    33 S   CT   _C7_    52     1.53920   113.35847  -164.61377
   40    39 S   HC   _H5_    53     1.09903   107.42190   166.17336
   41    38 S   CM   _C10    39     1.34716   117.86095  -100.12342
   42    41 S   HC   _H10    40     1.08615   121.32028     0.72009
   43    39 S   OH   _O36    54     1.42615   111.74338    50.79345
   44    43 S   HO   _H20    55     0.97217   107.92977    49.98993
   45    41 S   CO4  _C11    41     1.47778   123.63851   178.32252
   46    45 S   O    _O33    42     1.22453   120.67926  -179.18627
   47    45 S   C3T  _C12    43     1.48625   115.79809     0.44806
   48    47 S   CT   _C13    44     1.50990   116.37577    26.86486
   49    48 S   HC   _H11    45     1.09392   111.43690  -172.96302
   50    48 S   HC   _H12    46     1.09845   106.56742    71.79456
   51    47 S   C3T  _C16    71     1.54958   121.08705  -172.72303
   52    38 S   CT   _C14    47     1.54359   118.94151    82.35879
   53    47 S   O3T  _O34    72     1.43609   113.04581  -108.16554
   54    51 S   CO4  _C18    73     1.48607   119.54000    -1.07883
   55    54 S   O    _O35    74     1.22484   121.15284  -102.36291
   56    54 S   HC   _H19    75     1.10288   116.87645    78.51315
   57    51 S   CT   _C17    76     1.50522   120.45695  -161.88663
   58    57 S   HC   _H16    77     1.09464   112.48292   -52.91888
   59    57 S   HC   _H17    78     1.09544   110.53141  -172.24830
   60    57 S   HC   _H18    79     1.09447   110.11804    68.56902
   61    52 S   CT   _C5_    48     1.58104   110.73939    41.86404
   62    61 S   HC   _H3_    49     1.10093   106.69621    71.31335
   63    52 S   CT   _C15    67     1.54782   109.25309   -82.59884
   64    63 S   HC   _H13    68     1.09589   111.51960  -166.19762
   65    63 S   HC   _H14    69     1.09105   113.04208    73.66960
   66    63 S   HC   _H15    70     1.09615   111.56263   -46.72646
   67    61 S   CT   _C6_    50     1.54720   114.89577   -44.68627
   68    67 S   HC   _H4_    51     1.09815   108.20955   170.57552
   69    61 S   CT   _C4_    63     1.53825   113.72486  -172.09952
   70    69 S   HC   _H7_    64     1.09416   112.18315    63.62292
   71    69 S   HC   _H8_    65     1.09344   111.66359   -58.06061
   72    69 S   HC   _H9_    66     1.09592   110.28727  -176.72487
   73    67 S   OS   _O37    56     1.44093   109.80202   -70.62457
   74    73 S   CO4  _C19    57     1.36196   118.35056  -141.30182
   75    74 S   O    _O38    58     1.22298   126.74204     1.57930
   76    74 S   CT   _C20    59     1.49869   109.30184  -178.40676
   77    76 S   HC   _H21    60     1.09303   109.85052   -58.31924
   78    76 S   HC   _H22    61     1.09377   109.36301  -177.23395
   79    76 S   HC   _H23    62     1.09277   109.83639    63.59022
  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  20  12   6  10   4   5   1  10   4  15  15
   6   5   9  14   7   6   2   1   3   2   1   1  13   8   5   2
   1   1   9   3   4   2   1   1   6   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    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    41    52    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    48    52    61    67    68    39    40    43    44    73    63  
   38    41    52    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    48    49    50    52    61    62    67    39    40    43    69    63    64    65    66  
   40    43    44    73    74    69    41    52    61    62    67    68  
   43    44    73    61    67    68  
   42    45    46    47    48    52    61    63    51    53  
   45    46    47    52  
   44    73    61    67    68  
   67  
   46    47    48    49    50    52    51    53    54    57  
   47    48    51    53  
   48    49    50    52    61    63    51    53    54    55    56    57    58    59    60  
   49    50    52    61    62    67    69    63    64    65    66    51    53    54    57  
   50    52    61    63    51    53  
   52    61    63    51    53  
   53    54    55    56    57    58    59    60    52  
   61    62    67    68    73    69    70    71    72    63    64    65    66    53  
   54    55    56    57    58    59    60  
   55    56    57    58    59    60  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    67    68    73    74    69    70    71    72    63    64    65    66  
   67    68    73    69    70    71    72    63  
   64    65    66    67    69  
   65    66  
   66  
    0  
   68    73    74    75    76    69    70    71    72  
   73    74    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    41   549.000  1.340
   38    52   317.000  1.510
   41    42   340.000  1.080
   41    45   320.000  1.462
   45    46   570.000  1.229
   45    47   290.000  1.496
   47    48   275.000  1.510
   47    51   260.000  1.509
   47    53   335.000  1.432
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    61   268.000  1.529
   52    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   67    73   320.000  1.410
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   51    53   335.000  1.432
   51    54   290.000  1.496
   51    57   275.000  1.510
   54    55   570.000  1.229
   54    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    41    70.00000  124.00000
   33    38    52    65.00000  117.92700
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    65.00000  118.96000
   38    52    48    70.00000  112.02700
   38    52    61    70.00000  112.02700
   38    52    63    70.00000  112.02700
   41    45    46    80.00000  123.72100
   41    45    47    65.00000  118.62400
   45    41    42    40.00000  117.72500
   45    47    48    63.00000  111.10000
   45    47    51    65.00000  117.18000
   45    47    53    80.00000  114.91000
   47    45    46    75.00000  121.36600
   47    48    49    45.00000  109.38400
   47    48    50    45.00000  109.38400
   47    48    52    70.00000  112.37300
   47    51    53    15.00000   60.43100
   47    51    54    65.00000  117.18000
   47    51    57    60.00000  120.94000
   47    53    51    15.00000   59.14900
   48    52    61    58.35000  112.70000
   48    52    63    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    38    41    70.00000  124.00000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    67    58.35000  112.70000
   52    61    69    58.35000  112.70000
   52    63    64    37.50000  110.70000
   52    63    65    37.50000  110.70000
   52    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    39    58.35000  112.70000
   61    67    73    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   67    61    62    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    50.00000  109.50000
   67    73    74    83.00000  116.90000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    39    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   63    52    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   51    47    48    60.00000  120.94000
   51    54    55    75.00000  121.36600
   51    54    56    40.00000  115.82000
   51    57    58    45.00000  109.38400
   51    57    59    45.00000  109.38400
   51    57    60    45.00000  109.38400
   53    47    48    80.00000  116.47100
   53    47    51    15.00000   60.43100
   54    51    53    80.00000  114.91000
   56    54    55    35.00000  123.00000
   57    51    53    80.00000  116.47100
   57    51    54    63.00000  111.10000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    52   0.30250  1.0 1.0
   29    33    38    52  -0.14950 -1.0 2.0
   29    33    38    52   0.36900  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    52    48   0.46850  1.0 1.0
   33    38    52    48   0.08550 -1.0 2.0
   33    38    52    48   0.09800  1.0 3.0
   33    38    52    61   0.46850  1.0 1.0
   33    38    52    61   0.08550 -1.0 2.0
   33    38    52    61   0.09800  1.0 3.0
   33    38    52    63   0.46850  1.0 1.0
   33    38    52    63   0.08550 -1.0 2.0
   33    38    52    63   0.09800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.34800  1.0 3.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    47  -0.33500  1.0 1.0
   38    41    45    47   1.06600 -1.0 2.0
   38    41    45    47  -0.14000  1.0 3.0
   38    52    61    62   0.15000  1.0 3.0
   38    52   -61    67   0.34400  1.0 1.0
   38    52   -61    67   0.09450 -1.0 2.0
   38    52   -61    67   0.11100  1.0 3.0
   38    52    61    69   0.34400  1.0 1.0
   38    52    61    69   0.09450 -1.0 2.0
   38    52    61    69   0.11100  1.0 3.0
   38    52    63    64   0.15000  1.0 3.0
   38    52    63    65   0.15000  1.0 3.0
   38    52    63    66   0.15000  1.0 3.0
   41    38    52    48   0.09850  1.0 1.0
   41    38    52    48   0.15250 -1.0 2.0
   41    38    52    48  -0.50650  1.0 3.0
   41    38    52    61   0.09850  1.0 1.0
   41    38    52    61   0.15250 -1.0 2.0
   41    38    52    61  -0.50650  1.0 3.0
   41    38    52    63   0.09850  1.0 1.0
   41    38    52    63   0.15250 -1.0 2.0
   41    38    52    63  -0.50650  1.0 3.0
   41    45   -47    48   0.65300  1.0 1.0
   41    45   -47    48  -0.03850 -1.0 2.0
   41    45   -47    48   0.33900  1.0 3.0
   41    45    47    51   0.65300  1.0 1.0
   41    45    47    51  -0.03850 -1.0 2.0
   41    45    47    51   0.33900  1.0 3.0
   41    45    47    53   0.65300  1.0 1.0
   41    45    47    53  -0.03850 -1.0 2.0
   41    45    47    53   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.04550  1.0 1.0
   42    41    45    47   0.83000 -1.0 2.0
   42    41    45    47  -0.04000  1.0 3.0
   45    47    48    49  -0.11250  1.0 3.0
   45    47    48    50  -0.11250  1.0 3.0
   45    47    48    52  -0.95700  1.0 1.0
   45    47    48    52  -0.18200 -1.0 2.0
   45    47    48    52   0.29450  1.0 3.0
   45    47   -51    53  -0.09450  1.0 1.0
   45    47   -51    53  -1.12950 -1.0 2.0
   45    47   -51    53   0.54000  1.0 3.0
   45    47    51    54   0.11950  1.0 1.0
   45    47    51    54   0.20300 -1.0 2.0
   45    47    51    54  -0.70800  1.0 3.0
   45    47    51    57  -0.95700  1.0 1.0
   45    47    51    57  -0.18200 -1.0 2.0
   45    47    51    57   0.29450  1.0 3.0
   45    47   -53    51  -1.11000  1.0 1.0
   45    47   -53    51   0.50250 -1.0 2.0
   45    47   -53    51   0.47450  1.0 3.0
   46    45    47    48   0.30150 -1.0 2.0
   46    45    47    51   0.30150 -1.0 2.0
   46    45    47    53   0.30150 -1.0 2.0
   47    48   -52    38   0.34400  1.0 1.0
   47    48   -52    38   0.09450 -1.0 2.0
   47    48   -52    38   0.11100  1.0 3.0
   47    48    52    61   0.47050  1.0 1.0
   47    48    52    61   0.03900 -1.0 2.0
   47    48    52    61   0.20100  1.0 3.0
   47    48    52    63   0.47050  1.0 1.0
   47    48    52    63   0.03900 -1.0 2.0
   47    48    52    63   0.20100  1.0 3.0
   47    51    54    55   0.30150 -1.0 2.0
   47    51    54    56   0.74550  1.0 1.0
   47    51    54    56  -0.00500 -1.0 2.0
   47    51    57    58   0.15000  1.0 3.0
   47    51    57    59   0.15000  1.0 3.0
   47    51    57    60   0.15000  1.0 3.0
   48    47   -51    53   0.02550  1.0 1.0
   48    47   -51    53  -0.02600 -1.0 2.0
   48    47   -51    53   1.20400  1.0 3.0
   48    47    51    54  -0.95700  1.0 1.0
   48    47    51    54  -0.18200 -1.0 2.0
   48    47    51    54   0.29450  1.0 3.0
   48    47    51    57   0.56750  1.0 1.0
   48    47    51    57  -0.07550 -1.0 2.0
   48    47    51    57   0.20000  1.0 3.0
   48    47   -53    51   0.06250  1.0 1.0
   48    47   -53    51  -0.01100 -1.0 2.0
   48    47   -53    51   0.28050  1.0 3.0
   48    52    61    62   0.15000  1.0 3.0
   48    52    61    67   0.56750  1.0 1.0
   48    52    61    67  -0.07550 -1.0 2.0
   48    52    61    67   0.20000  1.0 3.0
   48    52    61    69   0.56750  1.0 1.0
   48    52    61    69  -0.07550 -1.0 2.0
   48    52    61    69   0.20000  1.0 3.0
   48    52    63    64   0.15000  1.0 3.0
   48    52    63    65   0.15000  1.0 3.0
   48    52    63    66   0.15000  1.0 3.0
   49    48    52    38   0.15000  1.0 3.0
   49    48    52    61   0.15000  1.0 3.0
   49    48    52    63   0.15000  1.0 3.0
   50    48    52    38   0.15000  1.0 3.0
   50    48    52    61   0.15000  1.0 3.0
   50    48    52    63   0.15000  1.0 3.0
   52    38    41    42   7.00000 -1.0 2.0
   52    38   -41    45   7.00000 -1.0 2.0
   52    61    67    68   0.15000  1.0 3.0
   52    61    67    39   0.56750  1.0 1.0
   52    61    67    39  -0.07550 -1.0 2.0
   52    61    67    39   0.20000  1.0 3.0
   52    61    67    73   0.62750  1.0 1.0
   52    61    67    73  -0.30950 -1.0 2.0
   52    61    67    73   0.27300  1.0 3.0
   52    61    69    70   0.15000  1.0 3.0
   52    61    69    71   0.15000  1.0 3.0
   52    61    69    72   0.15000  1.0 3.0
   61    52    63    64   0.15000  1.0 3.0
   61    52    63    65   0.15000  1.0 3.0
   61    52    63    66   0.15000  1.0 3.0
   61    67   -39    33   0.56750  1.0 1.0
   61    67   -39    33  -0.07550 -1.0 2.0
   61    67   -39    33   0.20000  1.0 3.0
   61    67    39    40   0.15000  1.0 3.0
   61    67    39    43   0.86500  1.0 1.0
   61    67    39    43  -0.17500 -1.0 2.0
   61    67    39    43   0.20800  1.0 3.0
   61    67    73    74  -0.25900  1.0 1.0
   61    67    73    74  -0.47000 -1.0 2.0
   61    67    73    74   0.11750  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    39   0.15000  1.0 3.0
   62    61    67    73   0.23400  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   67    61    69    70   0.15000  1.0 3.0
   67    61    69    71   0.15000  1.0 3.0
   67    61    69    72   0.15000  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   67    73    74    75   3.00000 -1.0 2.0
   67    73    74    76   1.63150  1.0 1.0
   67    73    74    76   2.92000 -1.0 2.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   68    67    73    74   0.08050  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    52   0.46850  1.0 1.0
   39    33   -38    52   0.08550 -1.0 2.0
   39    33   -38    52   0.09800  1.0 3.0
   39    67    73    74  -0.25900  1.0 1.0
   39    67    73    74  -0.47000 -1.0 2.0
   39    67    73    74   0.11750  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   73    67    39    33   0.62750  1.0 1.0
   73    67    39    33  -0.30950 -1.0 2.0
   73    67    39    33   0.27300  1.0 3.0
   73    67    39    40   0.23400  1.0 3.0
   73    67    39    43   3.69350  1.0 1.0
   73    67    39    43  -1.82950 -1.0 2.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   69    61    67    68   0.15000  1.0 3.0
   69    61    67    39   0.56750  1.0 1.0
   69    61    67    39  -0.07550 -1.0 2.0
   69    61    67    39   0.20000  1.0 3.0
   69    61    67    73   0.62750  1.0 1.0
   69    61    67    73  -0.30950 -1.0 2.0
   69    61    67    73   0.27300  1.0 3.0
   63    52    61    62   0.15000  1.0 3.0
   63    52    61    67   0.56750  1.0 1.0
   63    52    61    67  -0.07550 -1.0 2.0
   63    52    61    67   0.20000  1.0 3.0
   63    52    61    69   0.56750  1.0 1.0
   63    52    61    69  -0.07550 -1.0 2.0
   63    52    61    69   0.20000  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    52   0.07850  1.0 1.0
   51    47    48    52  -0.03950 -1.0 2.0
   51    47    48    52   0.67350  1.0 3.0
   53    47    48    49   0.23400  1.0 3.0
   53    47    48    50   0.23400  1.0 3.0
   53    47    48    52   0.02550  1.0 1.0
   53    47    48    52  -0.02600 -1.0 2.0
   53    47    48    52   1.20400  1.0 3.0
   53    47   -51    54  -0.09450  1.0 1.0
   53    47   -51    54  -1.12950 -1.0 2.0
   53    47   -51    54   0.54000  1.0 3.0
   53    47   -51    57   0.02550  1.0 1.0
   53    47   -51    57  -0.02600 -1.0 2.0
   53    47   -51    57   1.20400  1.0 3.0
   53    51    54    55   0.30150 -1.0 2.0
   53    51    54    56   0.00000  1.0 1.0
   53    51    57    58   0.23400  1.0 3.0
   53    51    57    59   0.23400  1.0 3.0
   53    51    57    60   0.23400  1.0 3.0
   54    51   -53    47  -1.11000  1.0 1.0
   54    51   -53    47   0.50250 -1.0 2.0
   54    51   -53    47   0.47450  1.0 3.0
   54    51    57    58  -0.11250  1.0 3.0
   54    51    57    59  -0.11250  1.0 3.0
   54    51    57    60  -0.11250  1.0 3.0
   57    51   -53    47   0.06250  1.0 1.0
   57    51   -53    47  -0.01100 -1.0 2.0
   57    51   -53    47   0.28050  1.0 3.0
   57    51    54    55   0.30150 -1.0 2.0
   57    51    54    56   0.74550  1.0 1.0
   57    51    54    56  -0.00500 -1.0 2.0
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    52    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   41    47    45    46  10.50000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   51    56    54    55  10.50000 -1.0 2.0
END
