* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    238     444
    1     0 S   NP   _N1_     1    29.11508   100.29541   -19.02503
    2     1 S   H    _HN1     2     1.02955    53.80401     5.26563
    3     1 S   H    _H1_     3     1.02832    64.28502   144.19946
    4     1 S   H    _H2_     4     1.02772    91.49613  -106.57676
    5     1 S   CT   _CA1     5     1.50163   155.56203    60.60723
    6     5 S   HC   _HA1     6     1.09569   105.15098   132.26104
    7     5 S   CO3  _C1_     7     1.53710   112.54858    12.15512
    8     7 S   O2Z  _O11     8     1.26386   114.95413   -37.64077
    9     7 S   O2Z  _O12     9     1.26236   115.00845   141.53834
   10     5 S   CT   _CB1    10     1.53091   107.41768  -109.70721
   11    10 S   HC   HB11    11     1.09831   109.22611   -49.03022
   12    10 S   HC   HB12    12     1.09817   110.44627    67.53223
   13    10 S   CT   _CG1    13     1.53035   112.77393  -170.06320
   14    13 S   HC   HG11    14     1.09549   110.60378   -68.33278
   15    13 S   HC   HG12    15     1.09667   109.80586    50.88505
   16    13 S   C    _CD1    16     1.51849   112.19994   171.24577
   17    16 S   O    _OE1    17     1.22759   123.24674     7.90351
   18    16 S   N    _N2_    18     1.38489   111.77821  -172.25392
   19    18 S   H    _HN2    19     1.01586   119.07438     2.56720
   20    18 S   CT1  _CA2    20     1.45965   122.95633   176.71080
   21    20 S   HC   _HA2    21     1.09724   108.94119    26.24568
   22    20 S   C    _C2_    22     1.52906   106.86875   -90.90575
   23    22 S   O    _O2_    23     1.22995   123.00703   -28.27653
   24    20 S   CT   _CB2    32     1.53208   111.89830   149.62311
   25    24 S   HC   HB21    33     1.09238   109.25865    55.11215
   26    24 S   HC   HB22    34     1.09497   110.40535   173.28963
   27    22 S   N    _N3_    24     1.38495   112.63108   154.32717
   28    27 S   H    _HN3    25     1.01659   120.37414    -1.44021
   29    24 S   S    _SG2    35     1.82661   110.18160   -67.39516
   30    27 S   CT   _CA3    26     1.45352   122.38809   178.75102
   31    30 S   HC   HA31    27     1.09573   107.60741   -59.97227
   32    30 S   HC   HA32    28     1.09573   107.77623    56.31469
   33    29 S   CT   _C15    36     1.88495   102.89426   151.25067
   34    30 S   CO3  _C3_    29     1.52879   114.43887   178.22172
   35    34 S   O2Z  _O31    30     1.26321   116.11473    -1.03779
   36    34 S   O2Z  _O32    31     1.26457   114.38854   179.00338
   37    33 S   CT   _C14    37     1.55189   108.23541   -64.48255
   38    37 S   HC   _H7_    38     1.09373   113.31307    69.93811
   39    33 S   CT   _C16    74     1.60787   108.06815    54.72439
   40    39 S   OM   _O35    75     1.32641   111.06155    56.63826
   41    39 S   HC   _H13    76     1.10257   105.10850   -70.60485
   42    39 S   HC   _H14    77     1.09526   107.84772  -175.09284
   43    37 S   CT   _C13    39     1.53631   104.40859  -172.05962
   44    43 S   HC   _H6_    40     1.09620   109.62028   -85.14632
   45    37 S   OS   _O36    60     1.42943   109.98118   -48.93419
   46    43 S   CT   _C12    41     1.53745   105.10638    33.65525
   47    46 S   HC   _H5_    42     1.08570   110.93978   123.37461
   48    43 S   OH   _O37    72     1.41754   112.28587   156.81141
   49    48 S   HO   _H15    73     0.97224   107.60185  -178.70684
   50    33 S   CT   _C11    43     1.63066   117.49127  -171.43688
   51    46 S   OH   _O38    70     1.42666   109.79909  -121.98253
   52    51 S   HO   _H16    71     0.97209   107.88305   -58.81796
   53    50 S   CT   _C8_    44     1.64609   113.29952    48.28470
   54    50 S   CT   _C17    66     1.53905   112.62204   -78.80175
   55    54 S   HC   _H17    67     1.09418   111.39802    58.48139
   56    54 S   HC   _H18    68     1.09326   112.75510   -61.75444
   57    54 S   HC   _H19    69     1.09302   111.90447   179.68784
   58    53 S   CT   _C7_    45     1.56695   108.49208    47.25673
   59    58 S   HC   _H3_    46     1.09645   108.09867    89.07547
   60    53 S   CT   _C18    61     1.58965   110.91250   164.27442
   61    60 S   HC   _H20    62     1.09294   111.64228    53.23822
   62    60 S   HC   _H21    63     1.09087   112.34434   -67.75369
   63    58 S   CM   _C6_    47     1.50077   115.84206  -153.80263
   64    63 S   HC   _H11    48     1.08959   114.83690  -169.96636
   65    60 S   OH   _O39    64     1.42532   112.66420   174.21436
   66    65 S   HO   _H22    65     0.97239   107.17883  -176.48498
   67    63 S   CM   _C5_    49     1.33821   127.07827     9.10796
   68    67 S   CO4  _C10    50     1.48479   119.15839     0.99465
   69    68 S   O    _O33    51     1.23252   119.89008  -172.24379
   70    67 S   CT   _C4_    56     1.49604   123.19129  -177.57037
   71    70 S   HC   _H8_    57     1.09494   110.67543   123.31841
   72    70 S   HC   _H9_    58     1.09420   111.78151     3.81275
   73    70 S   HC   _H10    59     1.09481   110.39872  -116.35557
   74    53 S   CT   _C9_    52     1.56737   113.09730   -77.38133
   75    74 S   HC   _H4_    53     1.08112   112.86759    41.77496
   76    74 S   OH   _O34    54     1.42987   111.13925   -75.76214
   77    76 S   HO   _H12    55     0.97333   107.30047   177.36775
  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  13   5   4   3
  22   2   1   1  19   8   9   3   2   1  12   7  11  14   6   3
   1  18   3   1  20   6   2   1   1  13   5   9   4   3   9   3
   2   1   9   9   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    50    53    45    54    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    47    50    53    58    74    45    60    54    55    56    57    51    48    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    47    50    53    58    59    63    45    54    51    48    49    39    40    41    42  
   43    44    46    50    58    45    48    39  
   40    41    42    43    45    46    50    53    54  
   41    42    50  
   42    50  
   50  
   44    46    47    50    53    58    45    54    51    52    48    49  
   46    47    50    45    51    48    49  
   60    48    46    50    53    58    59    63    64    67    74  
   47    50    53    58    74    60    54    55    56    57    51    52    48    49  
   50    53    54    51    52    48  
   49    50    51  
    0  
   53    58    59    63    68    74    75    76    60    61    62    65    54    55    56    57    51    52  
   52    53    54  
    0  
   58    59    63    64    67    68    69    74    75    76    77    60    61    62    65    66    54    55    56    57  
   55    56    57    58    60    74  
   56    57  
   57  
    0  
   59    63    64    67    68    74    75    76    70    60    61    62    65  
   63    64    67    74    60  
   61    62    65    66    63    68    74    75    76  
   62    65    66    74  
   65    66    74  
   64    67    68    69    74    70    71    72    73  
   67    68    70  
   66    74  
    0  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    51   320.000  1.410
   50    53   268.000  1.529
   50    54   268.000  1.529
   53    58   268.000  1.529
   53    74   268.000  1.529
   53    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.510
   58    45   320.000  1.410
   63    64   340.000  1.080
   63    67   549.000  1.340
   67    68   320.000  1.462
   67    70   317.000  1.510
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    52   553.000  0.945
   48    49   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    50    46    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    50    54    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    48    50.00000  109.50000
   37    45    58    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    58.35000  112.70000
   43    46    51    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    54    58.35000  112.70000
   46    51    52    55.00000  108.50000
   50    33    37    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    53    58    58.35000  112.70000
   50    53    74    58.35000  112.70000
   50    53    60    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    63    70.00000  112.02700
   53    58    45    50.00000  109.50000
   53    74    68    63.00000  111.10000
   53    74    75    37.50000  110.70000
   53    74    76    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    50.00000  109.50000
   58    63    64    35.00000  117.00000
   58    63    67    70.00000  124.00000
   63    58    59    35.00000  109.50000
   63    67    68    65.00000  118.96000
   63    67    70    70.00000  124.00000
   67    63    64    35.00000  120.00000
   67    68    69    80.00000  123.72100
   67    68    74    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    90.00000  109.61100
   74    53    58    58.35000  112.70000
   74    68    69    80.00000  120.40000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   70    67    68    65.00000  116.34900
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    50.00000  109.50000
   45    58    59    35.00000  109.50000
   45    58    63    85.00000  110.90400
   60    53    58    58.35000  112.70000
   60    53    74    58.35000  112.70000
   60    65    66    55.00000  108.50000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   54    50    53    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    50    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    46   0.56750  1.0 1.0
   33    37   -43    46  -0.07550 -1.0 2.0
   33    37   -43    46   0.20000  1.0 3.0
   33    37    43    48   0.86500  1.0 1.0
   33    37    43    48  -0.17500 -1.0 2.0
   33    37    43    48   0.20800  1.0 3.0
   33    37    45    58   0.06250  1.0 1.0
   33    37    45    58  -0.01100 -1.0 2.0
   33    37    45    58   0.28050  1.0 3.0
   33    50   -53    58   0.56750  1.0 1.0
   33    50   -53    58  -0.07550 -1.0 2.0
   33    50   -53    58   0.20000  1.0 3.0
   33    50    53    74   0.56750  1.0 1.0
   33    50    53    74  -0.07550 -1.0 2.0
   33    50    53    74   0.20000  1.0 3.0
   33    50    53    60   0.56750  1.0 1.0
   33    50    53    60  -0.07550 -1.0 2.0
   33    50    53    60   0.20000  1.0 3.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    57   0.15000  1.0 3.0
   37    33   -50    46   0.56750  1.0 1.0
   37    33   -50    46  -0.07550 -1.0 2.0
   37    33   -50    46   0.20000  1.0 3.0
   37    33    50    53   0.56750  1.0 1.0
   37    33    50    53  -0.07550 -1.0 2.0
   37    33    50    53   0.20000  1.0 3.0
   37    33    50    54   0.56750  1.0 1.0
   37    33    50    54  -0.07550 -1.0 2.0
   37    33    50    54   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43   -46    50   0.56750  1.0 1.0
   37    43   -46    50  -0.07550 -1.0 2.0
   37    43   -46    50   0.20000  1.0 3.0
   37    43    46    51   0.86500  1.0 1.0
   37    43    46    51  -0.17500 -1.0 2.0
   37    43    46    51   0.20800  1.0 3.0
   37    43    48    49  -0.11600  1.0 1.0
   37    43    48    49  -0.09450 -1.0 2.0
   37    43    48    49   0.21250  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   38    37    43    48   0.23400  1.0 3.0
   38    37    45    58   0.37050  1.0 3.0
   43    37    45    58   0.06250  1.0 1.0
   43    37    45    58  -0.01100 -1.0 2.0
   43    37    45    58   0.28050  1.0 3.0
   43    46   -50    33   0.56750  1.0 1.0
   43    46   -50    33  -0.07550 -1.0 2.0
   43    46   -50    33   0.20000  1.0 3.0
   43    46    50    53   0.56750  1.0 1.0
   43    46    50    53  -0.07550 -1.0 2.0
   43    46    50    53   0.20000  1.0 3.0
   43    46    50    54   0.56750  1.0 1.0
   43    46    50    54  -0.07550 -1.0 2.0
   43    46    50    54   0.20000  1.0 3.0
   43    46    51    52  -0.11600  1.0 1.0
   43    46    51    52  -0.09450 -1.0 2.0
   43    46    51    52   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    50    53    58   0.56750  1.0 1.0
   46    50    53    58  -0.07550 -1.0 2.0
   46    50    53    58   0.20000  1.0 3.0
   46    50    53    74   0.56750  1.0 1.0
   46    50    53    74  -0.07550 -1.0 2.0
   46    50    53    74   0.20000  1.0 3.0
   46    50    53    60   0.56750  1.0 1.0
   46    50    53    60  -0.07550 -1.0 2.0
   46    50    53    60   0.20000  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.15000  1.0 3.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    43   0.56750  1.0 1.0
   50    33   -37    43  -0.07550 -1.0 2.0
   50    33   -37    43   0.20000  1.0 3.0
   50    33    37    45   0.62750  1.0 1.0
   50    33    37    45  -0.30950 -1.0 2.0
   50    33    37    45   0.27300  1.0 3.0
   50    33    39    40   0.62750  1.0 1.0
   50    33    39    40  -0.30950 -1.0 2.0
   50    33    39    40   0.27300  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    42   0.15000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    53    58    59   0.15000  1.0 3.0
   50    53    58    63   0.34400  1.0 1.0
   50    53    58    63   0.09450 -1.0 2.0
   50    53    58    63   0.11100  1.0 3.0
   50    53   -58    45   0.62750  1.0 1.0
   50    53   -58    45  -0.30950 -1.0 2.0
   50    53   -58    45   0.27300  1.0 3.0
   50    53    74    68  -0.95700  1.0 1.0
   50    53    74    68  -0.18200 -1.0 2.0
   50    53    74    68   0.29450  1.0 3.0
   50    53    74    75   0.15000  1.0 3.0
   50    53    74    76   0.86500  1.0 1.0
   50    53    74    76  -0.17500 -1.0 2.0
   50    53    74    76   0.20800  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    65   0.86500  1.0 1.0
   50    53    60    65  -0.17500 -1.0 2.0
   50    53    60    65   0.20800  1.0 3.0
   53    50    54    55   0.15000  1.0 3.0
   53    50    54    56   0.15000  1.0 3.0
   53    50    54    57   0.15000  1.0 3.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    67   0.09850  1.0 1.0
   53    58    63    67   0.15250 -1.0 2.0
   53    58    63    67  -0.50650  1.0 3.0
   53    58   -45    37   0.06250  1.0 1.0
   53    58   -45    37  -0.01100 -1.0 2.0
   53    58   -45    37   0.28050  1.0 3.0
   53    74    76    77  -0.11600  1.0 1.0
   53    74    76    77  -0.09450 -1.0 2.0
   53    74    76    77   0.21250  1.0 3.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   58    53    74    68  -0.95700  1.0 1.0
   58    53    74    68  -0.18200 -1.0 2.0
   58    53    74    68   0.29450  1.0 3.0
   58    53    74    75   0.15000  1.0 3.0
   58    53    74    76   0.86500  1.0 1.0
   58    53    74    76  -0.17500 -1.0 2.0
   58    53    74    76   0.20800  1.0 3.0
   58    53    60    61   0.15000  1.0 3.0
   58    53    60    62   0.15000  1.0 3.0
   58    53    60    65   0.86500  1.0 1.0
   58    53    60    65  -0.17500 -1.0 2.0
   58    53    60    65   0.20800  1.0 3.0
   58    63   -67    68   7.00000 -1.0 2.0
   58    63    67    70   7.00000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   59    58    45    37   0.37050  1.0 3.0
   63    58    45    37  -0.77900  1.0 1.0
   63    58    45    37  -0.36900 -1.0 2.0
   63    58    45    37   0.40400  1.0 3.0
   63    67    68    69   1.00000 -1.0 2.0
   63    67    68    74  -0.33500  1.0 1.0
   63    67    68    74   1.06600 -1.0 2.0
   63    67    68    74  -0.14000  1.0 3.0
   63    67    70    71   0.00000  1.0 1.0
   63    67    70    72   0.00000  1.0 1.0
   63    67    70    73   0.00000  1.0 1.0
   64    63    67    68   7.00000 -1.0 2.0
   64    63    67    70   7.00000 -1.0 2.0
   67    68   -74    53   0.65300  1.0 1.0
   67    68   -74    53  -0.03850 -1.0 2.0
   67    68   -74    53   0.33900  1.0 3.0
   67    68    74    75   0.00000  1.0 1.0
   67    68    74    76   0.65300  1.0 1.0
   67    68    74    76  -0.03850 -1.0 2.0
   67    68    74    76   0.33900  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    74    76    77   0.91850  1.0 1.0
   68    74    76    77   0.57950  1.0 3.0
   69    68    74    53   0.30150 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.30150 -1.0 2.0
   74    53    58    59   0.15000  1.0 3.0
   74    53   -58    63   0.34400  1.0 1.0
   74    53   -58    63   0.09450 -1.0 2.0
   74    53   -58    63   0.11100  1.0 3.0
   74    53    58    45   0.62750  1.0 1.0
   74    53    58    45  -0.30950 -1.0 2.0
   74    53    58    45   0.27300  1.0 3.0
   74    53    60    61   0.15000  1.0 3.0
   74    53    60    62   0.15000  1.0 3.0
   74    53    60    65   0.86500  1.0 1.0
   74    53    60    65  -0.17500 -1.0 2.0
   74    53    60    65   0.20800  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   70    67    68    69  -0.64400  1.0 1.0
   70    67    68    69   0.26850 -1.0 2.0
   70    67    68    74   0.25700  1.0 1.0
   70    67    68    74   0.66200 -1.0 2.0
   70    67    68    74   0.04450  1.0 3.0
   45    37    43    44   0.23400  1.0 3.0
   45    37    43    46   0.62750  1.0 1.0
   45    37    43    46  -0.30950 -1.0 2.0
   45    37    43    46   0.27300  1.0 3.0
   45    37    43    48   3.69350  1.0 1.0
   45    37    43    48  -1.82950 -1.0 2.0
   45    58    63    64   0.00000  1.0 1.0
   45    58    63    67   0.39000  1.0 1.0
   45    58    63    67  -0.05800 -1.0 2.0
   45    58    63    67  -0.55150  1.0 3.0
   60    53    58    59   0.15000  1.0 3.0
   60    53    58    63   0.34400  1.0 1.0
   60    53    58    63   0.09450 -1.0 2.0
   60    53    58    63   0.11100  1.0 3.0
   60    53    58    45   0.62750  1.0 1.0
   60    53    58    45  -0.30950 -1.0 2.0
   60    53    58    45   0.27300  1.0 3.0
   60    53    74    68  -0.95700  1.0 1.0
   60    53    74    68  -0.18200 -1.0 2.0
   60    53    74    68   0.29450  1.0 3.0
   60    53    74    75   0.15000  1.0 3.0
   60    53    74    76   0.86500  1.0 1.0
   60    53    74    76  -0.17500 -1.0 2.0
   60    53    74    76   0.20800  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66   0.19450  1.0 3.0
   54    50    53    58   0.56750  1.0 1.0
   54    50    53    58  -0.07550 -1.0 2.0
   54    50    53    58   0.20000  1.0 3.0
   54    50    53    74   0.56750  1.0 1.0
   54    50    53    74  -0.07550 -1.0 2.0
   54    50    53    74   0.20000  1.0 3.0
   54    50    53    60   0.56750  1.0 1.0
   54    50    53    60  -0.07550 -1.0 2.0
   54    50    53    60   0.20000  1.0 3.0
   51    46    50    33   0.86500  1.0 1.0
   51    46    50    33  -0.17500 -1.0 2.0
   51    46    50    33   0.20800  1.0 3.0
   51    46    50    53   0.86500  1.0 1.0
   51    46    50    53  -0.17500 -1.0 2.0
   51    46    50    53   0.20800  1.0 3.0
   51    46    50    54   0.86500  1.0 1.0
   51    46    50    54  -0.17500 -1.0 2.0
   51    46    50    54   0.20800  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    50   0.86500  1.0 1.0
   48    43    46    50  -0.17500 -1.0 2.0
   48    43    46    50   0.20800  1.0 3.0
   48    43    46    51   3.75450  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    50    46   0.56750  1.0 1.0
   39    33    50    46  -0.07550 -1.0 2.0
   39    33    50    46   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   39    33    50    54   0.56750  1.0 1.0
   39    33    50    54  -0.07550 -1.0 2.0
   39    33    50    54   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
   35    30    34    36  10.50000 -1.0 2.0
   58    64    63    67   1.10000 -1.0 2.0
   68    70    67    63   1.10000 -1.0 2.0
   67    74    68    69  10.50000 -1.0 2.0
END
