* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    163    269     492
    1     0 S   NP   _N1_     1    28.85249    93.80706   -19.66288
    2     1 S   H    _HN1     2     1.02780    83.58186   -82.02036
    3     1 S   H    _H1_     3     1.02959    97.13531    25.70459
    4     1 S   H    _H2_     4     1.02845    31.37886   136.95650
    5     1 S   CT   _CA1     5     1.50097   140.44749   160.49330
    6     5 S   HC   _HA1     6     1.09573   105.26991    46.45935
    7     5 S   CO3  _C1_     7     1.53747   112.24143   -73.79870
    8     7 S   O2Z  _O11     8     1.26358   115.01118   -47.14701
    9     7 S   O2Z  _O12     9     1.26242   114.86104   132.09942
   10     5 S   CT   _CB1    10     1.53088   107.45401   164.35186
   11    10 S   HC   HB11    11     1.09823   109.34939   -50.89108
   12    10 S   HC   HB12    12     1.09826   110.40712    65.63119
   13    10 S   CT   _CG1    13     1.53042   112.71981  -172.02149
   14    13 S   HC   HG11    14     1.09555   110.39632   -61.98252
   15    13 S   HC   HG12    15     1.09632   110.10989    57.26222
   16    13 S   C    _CD1    16     1.51808   112.15898   177.54553
   17    16 S   O    _OE1    17     1.22736   123.17087    -7.10357
   18    16 S   N    _N2_    18     1.38639   111.76790   173.18712
   19    18 S   H    _HN2    19     1.01585   119.08389     1.44157
   20    18 S   CT1  _CA2    20     1.46286   123.26555  -178.23653
   21    20 S   HC   _HA2    21     1.09733   109.32705   -12.76084
   22    20 S   C    _C2_    22     1.53387   108.43732  -128.50458
   23    22 S   O    _O2_    23     1.23013   122.21005  -146.08330
   24    20 S   CT   _CB2    32     1.53451   111.42975   109.20262
   25    24 S   HC   HB21    33     1.09504   109.79070    58.18123
   26    24 S   HC   HB22    34     1.09527   110.57286   176.26729
   27    22 S   N    _N3_    24     1.38498   113.37038    41.25439
   28    27 S   H    _HN3    25     1.01529   118.90948    -0.61166
   29    24 S   S    _SG2    35     1.82803   111.62869   -64.52148
   30    27 S   CT   _CA3    26     1.45458   123.50425   175.12187
   31    30 S   HC   HA31    27     1.09519   109.30743    22.91967
   32    30 S   HC   HA32    28     1.09497   107.10204   139.93998
   33    29 S   CT   _C20    36     1.82106    99.86152   145.41115
   34    33 S   HC   _H6_    37     1.09372   111.09996    53.95109
   35    30 S   CO3  _C3_    29     1.52925   113.07537  -100.60447
   36    35 S   O2Z  _O31    30     1.26404   115.39168   -44.49335
   37    35 S   O2Z  _O32    31     1.26353   114.99014   136.43057
   38    33 S   CO4  _C21    38     1.52901   107.97754   174.44762
   39    38 S   O    _O34    39     1.22521   124.58156   -61.12154
   40    33 S   CT   _C19    75     1.54430   113.48790   -72.66215
   41    40 S   HC   _H23    76     1.09413   113.41172    31.07272
   42    40 S   HC   _H24    77     1.09619   110.24280   151.00232
   43    38 S   CT   _C17    40     1.52039   111.40816   120.89035
   44    43 S   CT   _C16    41     1.52552   116.53974  -140.81972
   45    44 S   HC   _H21    42     1.09792   110.21132    46.66118
   46    44 S   HC   _H22    43     1.09684   110.72761   -70.14173
   47    43 S   CT   _C22    78     1.54001   106.37652    94.41412
   48    47 S   HC   _H25    79     1.09306   112.95114  -170.74696
   49    47 S   HC   _H26    80     1.09687   110.16911    69.36792
   50    47 S   HC   _H27    81     1.09530   112.39620   -48.98975
   51    44 S   CT   _C15    44     1.54069   111.03530   167.83185
   52    51 S   HC   _H19    45     1.09466   108.53929    71.45241
   53    51 S   HC   _H20    46     1.09556   107.64226  -173.83150
   54    51 S   CT   _C14    47     1.55611   114.01475   -51.59509
   55    54 S   HC   _H4_    48     1.10247   105.24396   -66.10707
   56    54 S   CT   _C13    49     1.56251   111.96921    48.18914
   57    56 S   HC   _H3_    50     1.09539   109.87064    67.60568
   58    56 S   CT   _C12    51     1.53212   110.16624  -173.98895
   59    58 S   HC   _H17    52     1.09610   110.19428  -178.28217
   60    58 S   HC   _H18    53     1.09649   110.05307    64.13868
   61    43 S   CT   _C18    73     1.54045    98.80112   -26.10007
   62    61 S   HC   _H5_    74     1.10346   108.65576   -70.39596
   63    58 S   CT   _C11    54     1.52299   111.20062   -57.77374
   64    63 S   HC   _H15    55     1.09707   109.48688   -66.03127
   65    63 S   HC   _H16    56     1.09696   108.60892   178.41341
   66    63 S   CM   _C10    57     1.51033   112.22490    54.93253
   67    66 S   CM   _C9_    58     1.34393   119.27615   130.05101
   68    67 S   HC   _H14    59     1.08485   122.00467    -2.21479
   69    67 S   CO4  _C8_    60     1.48013   121.53278   174.87050
   70    69 S   O    _O33    61     1.22940   119.88199   178.04906
   71    69 S   CT   _C7_    62     1.50546   118.11787    -5.98497
   72    71 S   HC   _H12    63     1.09567   108.48881   154.44731
   73    71 S   HC   _H13    64     1.09448   108.75143   -88.16440
   74    71 S   CT   _C6_    65     1.52065   110.46332    34.89801
   75    74 S   HC   _H10    66     1.09915   107.89219    66.60753
   76    74 S   HC   _H11    67     1.09655   108.44018  -178.53166
   77    54 S   CT   _C5_    68     1.57705   113.99511   177.88363
   78    77 S   CT   _C4_    69     1.54524   111.95544   -58.10138
   79    78 S   HC   _H7_    70     1.09501   111.64089    68.57498
   80    78 S   HC   _H8_    71     1.09447   112.23684   -52.15655
   81    78 S   HC   _H9_    72     1.09638   111.53948  -171.98315
  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
  12   7   2   1   1  16   5  11   5   4  16  15   7   6   7   3
   2   1  12   5   4  20   8  13   7  10   6   5   3   1   9   4
   3  13   9   4   8   4   7   5   4   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    61    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    56    61    62    40    41    42    47  
   38    39    43    61    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    51    56    61    62    40    41    42    47    48    49    50  
   43    44    61    40    47  
   41    42    47    43    44    54    56    57    58    61    62  
   42    43    56    61    62  
   43    56    61    62  
   44    45    46    51    52    53    54    56    57    58    61    62    47    48    49    50  
   45    46    51    52    53    54    55    56    77    61    62    47    48    49    50  
   46    51    52    53    54    61    47  
   51    52    53    54    61    47  
   48    49    50    51    56    61    62  
   49    50    61  
   50    61  
   61  
   52    53    54    55    56    57    58    66    74    77    78    61  
   53    54    55    56    77  
   54    55    56    77  
   55    56    57    58    59    60    63    66    67    71    74    75    76    77    78    79    80    81    61    62  
   56    57    58    66    74    77    78    61  
   57    58    59    60    63    64    65    66    74    77    78    61    62  
   58    59    60    63    77    61    62  
   59    60    63    64    65    66    67    77    61    62  
   60    63    64    65    66    61  
   63    64    65    66    61  
   62    63    77  
    0  
   64    65    66    67    68    69    74    77    78  
   65    66    67    77  
   66    67    77  
   67    68    69    70    71    74    75    76    77    78    79    80    81  
   68    69    70    71    72    73    74    77    78  
   69    70    71    77  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74    75    76    77    78  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   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  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   317.000  1.522
   43    44   268.000  1.529
   43    61   268.000  1.529
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    77   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   549.000  1.340
   66    77   317.000  1.510
   67    68   340.000  1.080
   67    69   320.000  1.462
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.00000
   33    40    61    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    63.00000  111.10000
   38    43    61    63.00000  111.10000
   38    43    47    63.00000  111.10000
   43    38    39    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    61    56    58.35000  112.70000
   43    61    62    37.50000  110.70000
   43    61    40    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    77    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    77    66    70.00000  112.02700
   54    77    74    58.35000  112.70000
   54    77    78    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    40    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    70.00000  124.00000
   63    66    77    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    65.00000  118.96000
   66    77    74    70.00000  112.02700
   66    77    78    70.00000  112.02700
   67    69    70    80.00000  123.72100
   67    69    71    65.00000  118.62400
   69    67    68    40.00000  117.72500
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    54    55    37.50000  110.70000
   77    54    56    58.35000  112.70000
   77    66    67    70.00000  124.00000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    43    44    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    40    41    37.50000  110.70000
   61    40    42    37.50000  110.70000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    61    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   0.60050  1.0 1.0
   33    38    43    44   0.05600 -1.0 2.0
   33    38    43    44   0.26150  1.0 3.0
   33    38   -43    61   0.60050  1.0 1.0
   33    38   -43    61   0.05600 -1.0 2.0
   33    38   -43    61   0.26150  1.0 3.0
   33    38    43    47   0.60050  1.0 1.0
   33    38    43    47   0.05600 -1.0 2.0
   33    38    43    47   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    61   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    61  -0.95700  1.0 1.0
   38    33   -40    61  -0.18200 -1.0 2.0
   38    33   -40    61   0.29450  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45  -0.11250  1.0 3.0
   38    43    44    46  -0.11250  1.0 3.0
   38    43    44    51  -0.95700  1.0 1.0
   38    43    44    51  -0.18200 -1.0 2.0
   38    43    44    51   0.29450  1.0 3.0
   38    43    61    56  -0.95700  1.0 1.0
   38    43    61    56  -0.18200 -1.0 2.0
   38    43    61    56   0.29450  1.0 3.0
   38    43    61    62  -0.11250  1.0 3.0
   38    43   -61    40  -0.95700  1.0 1.0
   38    43   -61    40  -0.18200 -1.0 2.0
   38    43   -61    40   0.29450  1.0 3.0
   38    43    47    48  -0.11250  1.0 3.0
   38    43    47    49  -0.11250  1.0 3.0
   38    43    47    50  -0.11250  1.0 3.0
   39    38    43    44   0.30150 -1.0 2.0
   39    38    43    61   0.30150 -1.0 2.0
   39    38    43    47   0.30150 -1.0 2.0
   43    44    51    52   0.15000  1.0 3.0
   43    44    51    53   0.15000  1.0 3.0
   43    44    51    54   0.56750  1.0 1.0
   43    44    51    54  -0.07550 -1.0 2.0
   43    44    51    54   0.20000  1.0 3.0
   43    61   -40    33   0.56750  1.0 1.0
   43    61   -40    33  -0.07550 -1.0 2.0
   43    61   -40    33   0.20000  1.0 3.0
   43    61    40    41   0.15000  1.0 3.0
   43    61    40    42   0.15000  1.0 3.0
   44    43    61    56   0.56750  1.0 1.0
   44    43    61    56  -0.07550 -1.0 2.0
   44    43    61    56   0.20000  1.0 3.0
   44    43    61    62   0.15000  1.0 3.0
   44    43    61    40   0.56750  1.0 1.0
   44    43    61    40  -0.07550 -1.0 2.0
   44    43    61    40   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    51    54    55   0.15000  1.0 3.0
   44    51   -54    56   0.56750  1.0 1.0
   44    51   -54    56  -0.07550 -1.0 2.0
   44    51   -54    56   0.20000  1.0 3.0
   44    51    54    77   0.56750  1.0 1.0
   44    51    54    77  -0.07550 -1.0 2.0
   44    51    54    77   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.56750  1.0 1.0
   51    54    56    58  -0.07550 -1.0 2.0
   51    54    56    58   0.20000  1.0 3.0
   51    54    56    61   0.56750  1.0 1.0
   51    54    56    61  -0.07550 -1.0 2.0
   51    54    56    61   0.20000  1.0 3.0
   51    54    77    66   0.34400  1.0 1.0
   51    54    77    66   0.09450 -1.0 2.0
   51    54    77    66   0.11100  1.0 3.0
   51    54    77    74   0.56750  1.0 1.0
   51    54    77    74  -0.07550 -1.0 2.0
   51    54    77    74   0.20000  1.0 3.0
   51    54    77    78   0.56750  1.0 1.0
   51    54    77    78  -0.07550 -1.0 2.0
   51    54    77    78   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    77   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    77   0.15000  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    63   0.56750  1.0 1.0
   54    56    58    63  -0.07550 -1.0 2.0
   54    56    58    63   0.20000  1.0 3.0
   54    56   -61    43   0.56750  1.0 1.0
   54    56   -61    43  -0.07550 -1.0 2.0
   54    56   -61    43   0.20000  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    40   0.56750  1.0 1.0
   54    56    61    40  -0.07550 -1.0 2.0
   54    56    61    40   0.20000  1.0 3.0
   54    77    78    79   0.15000  1.0 3.0
   54    77    78    80   0.15000  1.0 3.0
   54    77    78    81   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    77    66   0.15000  1.0 3.0
   55    54    77    74   0.15000  1.0 3.0
   55    54    77    78   0.15000  1.0 3.0
   56    54    77    66   0.34400  1.0 1.0
   56    54    77    66   0.09450 -1.0 2.0
   56    54    77    66   0.11100  1.0 3.0
   56    54    77    74   0.56750  1.0 1.0
   56    54    77    74  -0.07550 -1.0 2.0
   56    54    77    74   0.20000  1.0 3.0
   56    54    77    78   0.56750  1.0 1.0
   56    54    77    78  -0.07550 -1.0 2.0
   56    54    77    78   0.20000  1.0 3.0
   56    58    63    64   0.15000  1.0 3.0
   56    58    63    65   0.15000  1.0 3.0
   56    58   -63    66   0.34400  1.0 1.0
   56    58   -63    66   0.09450 -1.0 2.0
   56    58   -63    66   0.11100  1.0 3.0
   56    61    40    33   0.56750  1.0 1.0
   56    61    40    33  -0.07550 -1.0 2.0
   56    61    40    33   0.20000  1.0 3.0
   56    61    40    41   0.15000  1.0 3.0
   56    61    40    42   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    61    43   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    40   0.15000  1.0 3.0
   58    56    61    43   0.56750  1.0 1.0
   58    56    61    43  -0.07550 -1.0 2.0
   58    56    61    43   0.20000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    40   0.56750  1.0 1.0
   58    56    61    40  -0.07550 -1.0 2.0
   58    56    61    40   0.20000  1.0 3.0
   58    63    66    67   0.09850  1.0 1.0
   58    63    66    67   0.15250 -1.0 2.0
   58    63    66    67  -0.50650  1.0 3.0
   58    63    66    77   0.46850  1.0 1.0
   58    63    66    77   0.08550 -1.0 2.0
   58    63    66    77   0.09800  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   63    66    67    68   7.00000 -1.0 2.0
   63    66    67    69   7.00000 -1.0 2.0
   63    66   -77    54   0.46850  1.0 1.0
   63    66   -77    54   0.08550 -1.0 2.0
   63    66   -77    54   0.09800  1.0 3.0
   63    66    77    74   0.46850  1.0 1.0
   63    66    77    74   0.08550 -1.0 2.0
   63    66    77    74   0.09800  1.0 3.0
   63    66    77    78   0.46850  1.0 1.0
   63    66    77    78   0.08550 -1.0 2.0
   63    66    77    78   0.09800  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    77   0.34800  1.0 3.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    77   0.34800  1.0 3.0
   66    67    69    70   1.00000 -1.0 2.0
   66    67    69    71  -0.33500  1.0 1.0
   66    67    69    71   1.06600 -1.0 2.0
   66    67    69    71  -0.14000  1.0 3.0
   66    77    78    79   0.15000  1.0 3.0
   66    77    78    80   0.15000  1.0 3.0
   66    77    78    81   0.15000  1.0 3.0
   67    66    77    54   0.09850  1.0 1.0
   67    66    77    54   0.15250 -1.0 2.0
   67    66    77    54  -0.50650  1.0 3.0
   67    66    77    74   0.09850  1.0 1.0
   67    66    77    74   0.15250 -1.0 2.0
   67    66    77    74  -0.50650  1.0 3.0
   67    66    77    78   0.09850  1.0 1.0
   67    66    77    78   0.15250 -1.0 2.0
   67    66    77    78  -0.50650  1.0 3.0
   67    69    71    72   0.00000  1.0 1.0
   67    69    71    73   0.00000  1.0 1.0
   67    69   -71    74   0.65300  1.0 1.0
   67    69   -71    74  -0.03850 -1.0 2.0
   67    69   -71    74   0.33900  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.04550  1.0 1.0
   68    67    69    71   0.83000 -1.0 2.0
   68    67    69    71  -0.04000  1.0 3.0
   69    71    74    75  -0.11250  1.0 3.0
   69    71    74    76  -0.11250  1.0 3.0
   69    71    74    77  -0.95700  1.0 1.0
   69    71    74    77  -0.18200 -1.0 2.0
   69    71    74    77   0.29450  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.30150 -1.0 2.0
   71    74    77    54   0.56750  1.0 1.0
   71    74    77    54  -0.07550 -1.0 2.0
   71    74    77    54   0.20000  1.0 3.0
   71    74   -77    66   0.34400  1.0 1.0
   71    74   -77    66   0.09450 -1.0 2.0
   71    74   -77    66   0.11100  1.0 3.0
   71    74    77    78   0.56750  1.0 1.0
   71    74    77    78  -0.07550 -1.0 2.0
   71    74    77    78   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   75    74    77    54   0.15000  1.0 3.0
   75    74    77    66   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   76    74    77    54   0.15000  1.0 3.0
   76    74    77    66   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   77    54    56    57   0.15000  1.0 3.0
   77    54   -56    58   0.56750  1.0 1.0
   77    54   -56    58  -0.07550 -1.0 2.0
   77    54   -56    58   0.20000  1.0 3.0
   77    54    56    61   0.56750  1.0 1.0
   77    54    56    61  -0.07550 -1.0 2.0
   77    54    56    61   0.20000  1.0 3.0
   77    66    67    68   7.00000 -1.0 2.0
   77    66   -67    69   7.00000 -1.0 2.0
   61    43    44    45   0.15000  1.0 3.0
   61    43    44    46   0.15000  1.0 3.0
   61    43   -44    51   0.56750  1.0 1.0
   61    43   -44    51  -0.07550 -1.0 2.0
   61    43   -44    51   0.20000  1.0 3.0
   61    43    47    48   0.15000  1.0 3.0
   61    43    47    49   0.15000  1.0 3.0
   61    43    47    50   0.15000  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    63   0.56750  1.0 1.0
   61    56    58    63  -0.07550 -1.0 2.0
   61    56    58    63   0.20000  1.0 3.0
   62    61    40    33   0.15000  1.0 3.0
   62    61    40    41   0.15000  1.0 3.0
   62    61    40    42   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.60050  1.0 1.0
   40    33   -38    43   0.05600 -1.0 2.0
   40    33   -38    43   0.26150  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    61    56   0.56750  1.0 1.0
   47    43    61    56  -0.07550 -1.0 2.0
   47    43    61    56   0.20000  1.0 3.0
   47    43    61    62   0.15000  1.0 3.0
   47    43    61    40   0.56750  1.0 1.0
   47    43    61    40  -0.07550 -1.0 2.0
   47    43    61    40   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   63    77    66    67   1.10000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
END
