* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    149    235     447
    1     0 S   NP   _N1_     1    27.97216    96.59021   -21.69022
    2     1 S   H    _HN1     2     1.02949    79.64931    -2.29533
    3     1 S   H    _H1_     3     1.02850    35.43916   138.57923
    4     1 S   H    _H2_     4     1.02791    96.47665  -109.67334
    5     1 S   CT   _CA1     5     1.50144   143.37645   108.39519
    6     5 S   HC   _HA1     6     1.09598   105.17967    77.94082
    7     5 S   CO3  _C1_     7     1.53825   111.80667   -41.74732
    8     7 S   O2Z  _O11     8     1.26309   115.21038   -59.00096
    9     7 S   O2Z  _O12     9     1.26295   114.96605   119.71085
   10     5 S   CT   _CB1    10     1.53168   107.28641  -164.75523
   11    10 S   HC   HB11    11     1.09828   109.31433   -52.19823
   12    10 S   HC   HB12    12     1.09802   110.57184    64.33929
   13    10 S   CT   _CG1    13     1.52981   112.52667  -173.22187
   14    13 S   HC   HG11    14     1.09554   110.27178   -63.97150
   15    13 S   HC   HG12    15     1.09653   109.94456    55.08341
   16    13 S   C    _CD1    16     1.51947   112.39620   175.59207
   17    16 S   O    _OE1    17     1.22742   123.28300     1.00717
   18    16 S   N    _N2_    18     1.38536   111.71717  -179.12867
   19    18 S   H    _HN2    19     1.01507   118.93024     4.94530
   20    18 S   CT1  _CA2    20     1.46013   123.23111   178.34164
   21    20 S   HC   _HA2    21     1.09717   109.06145    20.71532
   22    20 S   C    _C2_    22     1.52856   106.95234   -96.39479
   23    22 S   O    _O2_    23     1.22979   123.01695   -26.51356
   24    20 S   CT   _CB2    32     1.53226   111.83245   143.91259
   25    24 S   HC   HB21    33     1.09601   109.77597    53.59226
   26    24 S   HC   HB22    34     1.09502   110.95594   172.66366
   27    22 S   N    _N3_    24     1.38478   112.56711   156.23781
   28    27 S   H    _HN3    25     1.01659   120.36167    -2.12412
   29    24 S   S    _SG2    35     1.82363   110.72355   -67.24505
   30    27 S   CT   _CA3    26     1.45363   122.48598   178.64665
   31    30 S   HC   HA31    27     1.09566   107.80767   -55.88006
   32    30 S   HC   HA32    28     1.09562   107.61362    60.45503
   33    29 S   CT   _C18    36     1.82233    99.18203   161.70561
   34    33 S   HC   _H23    37     1.09404   109.74417   -43.16441
   35    33 S   HC   _H24    38     1.09424   107.93013    73.47613
   36    30 S   CO3  _C3_    29     1.52892   114.32038  -177.78036
   37    36 S   O2Z  _O31    30     1.26337   116.04935     0.07402
   38    36 S   O2Z  _O32    31     1.26433   114.41559  -179.97202
   39    33 S   CM   _C16    39     1.50269   110.37571  -163.74676
   40    39 S   CMA  _C17    40     1.34921   127.71070  -115.97463
   41    40 S   OM   _O37    41     1.26281   127.99588    -0.42521
   42    40 S   OS   _O36    42     1.41983   109.68060  -179.23001
   43    42 S   CT   _C7_    43     1.44338   106.71912   -14.88150
   44    43 S   HC   _H4_    44     1.09857   106.66829   -93.42560
   45    43 S   CT   _C6_    45     1.53053   107.51789   149.24974
   46    45 S   HC   _H12    46     1.09921   108.27169    55.23229
   47    45 S   HC   _H13    47     1.09653   109.77632   -56.08627
   48    39 S   CT   _C8_    64     1.49954   120.77318    65.45413
   49    48 S   HC   _H5_    65     1.09372   109.48300   -51.75787
   50    45 S   CT   _C5_    48     1.53985   116.05137   178.86927
   51    50 S   HC   _H3_    49     1.09839   106.67179   165.21088
   52    50 S   CT   _C11    50     1.55780   115.13236    44.97109
   53    52 S   HC   _H6_    51     1.09786   106.72996   -76.12842
   54    50 S   CT   _C4_    74     1.53975   108.67113   -80.48989
   55    54 S   HC   _H9_    75     1.09489   111.40665    71.23732
   56    54 S   HC   _H10    76     1.09563   110.97724   -49.05152
   57    54 S   HC   _H11    77     1.09342   111.67194  -167.64899
   58    52 S   CT   _C12    52     1.54622   111.28376   170.79384
   59    58 S   HC   _H16    53     1.09668   110.36867   -59.77757
   60    58 S   HC   _H17    54     1.09515   111.41812    57.34903
   61    58 S   CO   _C13    55     1.52495   111.11027   177.83012
   62    61 S   HC   _H7_    56     1.09621   109.95963   -65.12379
   63    61 S   OS   _O33    57     1.42113   110.63003    56.72669
   64    61 S   OH   _O35    72     1.42333   108.40264   177.43074
   65    64 S   HO   _H19    73     0.97536   106.05660   154.88385
   66    63 S   CO   _C14    58     1.42647   112.92398   -62.01592
   67    66 S   HC   _H8_    59     1.09695   106.58611  -178.90140
   68    52 S   CT   _C10    60     1.57314   115.88485    43.88222
   69    66 S   OH   _O34    70     1.42497   111.33665   -62.74150
   70    69 S   HO   _H18    71     0.97163   106.46281   -78.20453
   71    68 S   CT   _C9_    61     1.56709   113.93735   -61.65217
   72    71 S   HC   _H14    62     1.09788   108.54546  -143.38081
   73    71 S   HC   _H15    63     1.09843   110.35125   103.87615
   74    68 S   CT   _C15    66     1.55051   111.06585    60.37737
   75    74 S   HC   _H20    67     1.09403   112.55746    60.22458
   76    74 S   HC   _H21    68     1.09397   111.84301   -60.94302
   77    74 S   HC   _H22    69     1.09665   110.61120   179.75934
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5   9
   4  15   8  23   9   5   2   1   1  11   6   5   8   4   9   2
   1  11   5   9   3   1   6   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    68    71    72    73    48    49  
   41    42    43    44    45    71    48    49  
   42    43    48  
   43    44    45    46    47    50    71    48    49  
   44    45    46    47    50    51    52    68    71    72    73    48    49    54  
   45    46    47    50    71    48    49  
   46    47    50    51    52    53    58    68    71    48    49    54    55    56    57  
   47    50    51    52    48    54  
   50    51    52    48    54  
   49    74    50    52    66    68    71    72    73  
   68    71    72    73  
   51    52    53    58    59    60    61    66    68    71    74    54    55    56    57  
   52    53    58    68    54    55    56    57  
   53    58    59    60    61    62    63    66    67    68    71    72    73    74    75    76    77    69    64    54    55    56    57  
   58    59    60    61    66    68    71    74    54  
   55    56    57    58    68  
   56    57  
   57  
    0  
   59    60    61    62    63    66    68    71    74    64    65  
   60    61    62    63    68    64  
   61    62    63    68    64  
   62    63    66    67    68    69    64    65  
   63    66    64    65  
   66    67    68    71    74    69    70    64    65  
   65    66  
    0  
   67    68    71    72    73    74    75    76    77    69    70  
   68    71    74    69    70  
   71    72    73    74    75    76    77    69    70  
   70    71    74  
    0  
   72    73    74    75    76    77  
   73    74  
   74  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    68   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   250.000  1.527
   61    62   340.000  1.090
   61    63   320.000  1.380
   61    64   380.000  1.407
   63    66   320.000  1.380
   66    67   340.000  1.090
   66    68   250.000  1.527
   66    69   380.000  1.407
   68    71   268.000  1.529
   68    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    48   268.000  1.529
   48    49   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   69    70   553.000  0.945
   64    65   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    71    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    71    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    58    58.35000  112.70000
   50    52    68    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
   52    50    51    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    75.00000  109.43000
   52    68    66    75.00000  109.43000
   52    68    71    58.35000  112.70000
   52    68    74    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    45.00000  112.01100
   58    61    63    90.00000  108.56700
   58    61    64    90.00000  110.19100
   60    58    59    33.00000  107.80000
   61    58    59    45.00000  108.72000
   61    58    60    45.00000  108.72000
   61    63    66   100.00000  109.58800
   61    64    65    70.00000  107.92000
   63    61    62    35.00000  109.50000
   63    66    67    35.00000  109.50000
   63    66    68    90.00000  108.56700
   63    66    69   110.00000  112.08000
   66    68    71    75.00000  109.43000
   66    68    74    75.00000  109.43000
   66    69    70    70.00000  107.92000
   68    52    53    37.50000  110.70000
   68    52    58    58.35000  112.70000
   68    66    67    45.00000  112.01100
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    48    58.35000  112.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   71    48    49    37.50000  110.70000
   73    71    72    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    71    72    37.50000  110.70000
   48    71    73    37.50000  110.70000
   74    68    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   69    66    67    60.00000  108.02500
   69    66    68    90.00000  110.19100
   64    61    62    60.00000  108.02500
   64    61    63   110.00000  112.08000
   54    50    51    37.50000  110.70000
   54    50    52    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
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    71   0.46850  1.0 1.0
   33    39    48    71   0.08550 -1.0 2.0
   33    39    48    71   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    71   0.09850  1.0 1.0
   40    39    48    71   0.15250 -1.0 2.0
   40    39    48    71  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    71   0.62750  1.0 1.0
   42    43    48    71  -0.30950 -1.0 2.0
   42    43    48    71   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.56750  1.0 1.0
   43    45    50    52  -0.07550 -1.0 2.0
   43    45    50    52   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    71   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    71   0.56750  1.0 1.0
   45    43    48    71  -0.07550 -1.0 2.0
   45    43    48    71   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    53   0.15000  1.0 3.0
   45    50    52    58   0.56750  1.0 1.0
   45    50    52    58  -0.07550 -1.0 2.0
   45    50    52    58   0.20000  1.0 3.0
   45    50    52    68   0.56750  1.0 1.0
   45    50    52    68  -0.07550 -1.0 2.0
   45    50    52    68   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.15000  1.0 3.0
   50    52    58    61   3.97050  1.0 1.0
   50    52    68    66   3.97050  1.0 1.0
   50    52    68    71   0.56750  1.0 1.0
   50    52    68    71  -0.07550 -1.0 2.0
   50    52    68    71   0.20000  1.0 3.0
   50    52    68    74   0.56750  1.0 1.0
   50    52    68    74  -0.07550 -1.0 2.0
   50    52    68    74   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    68   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.62750  1.0 1.0
   52    58    61    63  -0.30950 -1.0 2.0
   52    58    61    63   0.27300  1.0 3.0
   52    58    61    64   0.86500  1.0 1.0
   52    58    61    64  -0.17500 -1.0 2.0
   52    58    61    64   0.20800  1.0 3.0
   52    68    71    72   0.15000  1.0 3.0
   52    68    71    73   0.15000  1.0 3.0
   52    68    71    48   0.56750  1.0 1.0
   52    68    71    48  -0.07550 -1.0 2.0
   52    68    71    48   0.20000  1.0 3.0
   52    68    74    75   0.15000  1.0 3.0
   52    68    74    76   0.15000  1.0 3.0
   52    68    74    77   0.15000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    68    66   0.15000  1.0 3.0
   53    52    68    71   0.15000  1.0 3.0
   53    52    68    74   0.15000  1.0 3.0
   58    52    68    66   3.97050  1.0 1.0
   58    52    68    71   0.56750  1.0 1.0
   58    52    68    71  -0.07550 -1.0 2.0
   58    52    68    71   0.20000  1.0 3.0
   58    52    68    74   0.56750  1.0 1.0
   58    52    68    74  -0.07550 -1.0 2.0
   58    52    68    74   0.20000  1.0 3.0
   58    61   -63    66   0.06250  1.0 1.0
   58    61   -63    66  -0.01100 -1.0 2.0
   58    61   -63    66   0.28050  1.0 3.0
   58    61    64    65  -0.11600  1.0 1.0
   58    61    64    65  -0.09450 -1.0 2.0
   58    61    64    65   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.23400  1.0 3.0
   59    58    61    64   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.23400  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    63    66    67   0.37050  1.0 3.0
   61    63    66    68   0.06250  1.0 1.0
   61    63    66    68  -0.01100 -1.0 2.0
   61    63    66    68   0.28050  1.0 3.0
   61    63    66    69  -0.81800  1.0 1.0
   62    61    63    66   0.37050  1.0 3.0
   62    61    64    65   0.19450  1.0 3.0
   63    61    64    65  -0.50000  1.0 1.0
   63    61    64    65  -0.73950 -1.0 2.0
   63    61    64    65   0.17150  1.0 3.0
   63    66   -68    52   0.62750  1.0 1.0
   63    66   -68    52  -0.30950 -1.0 2.0
   63    66   -68    52   0.27300  1.0 3.0
   63    66    68    71   0.62750  1.0 1.0
   63    66    68    71  -0.30950 -1.0 2.0
   63    66    68    71   0.27300  1.0 3.0
   63    66    68    74   0.62750  1.0 1.0
   63    66    68    74  -0.30950 -1.0 2.0
   63    66    68    74   0.27300  1.0 3.0
   63    66    69    70  -0.50000  1.0 1.0
   63    66    69    70  -0.73950 -1.0 2.0
   63    66    69    70   0.17150  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68    71    48   3.97050  1.0 1.0
   66    68    74    75   0.15000  1.0 3.0
   66    68    74    76   0.15000  1.0 3.0
   66    68    74    77   0.15000  1.0 3.0
   67    66    68    52   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    74   0.15000  1.0 3.0
   67    66    69    70   0.19450  1.0 3.0
   68    52    58    59   0.15000  1.0 3.0
   68    52    58    60   0.15000  1.0 3.0
   68    52   -58    61   3.97050  1.0 1.0
   68    66    69    70  -0.11600  1.0 1.0
   68    66    69    70  -0.09450 -1.0 2.0
   68    66    69    70   0.21250  1.0 3.0
   68    71    48    39   0.34400  1.0 1.0
   68    71    48    39   0.09450 -1.0 2.0
   68    71    48    39   0.11100  1.0 3.0
   68    71    48    43   0.56750  1.0 1.0
   68    71    48    43  -0.07550 -1.0 2.0
   68    71    48    43   0.20000  1.0 3.0
   68    71    48    49   0.15000  1.0 3.0
   71    68    74    75   0.15000  1.0 3.0
   71    68    74    76   0.15000  1.0 3.0
   71    68    74    77   0.15000  1.0 3.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    43   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   73    71    48    39   0.15000  1.0 3.0
   73    71    48    43   0.15000  1.0 3.0
   73    71    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68    71    48   0.56750  1.0 1.0
   74    68    71    48  -0.07550 -1.0 2.0
   74    68    71    48   0.20000  1.0 3.0
   69    66    68    52   0.86500  1.0 1.0
   69    66    68    52  -0.17500 -1.0 2.0
   69    66    68    52   0.20800  1.0 3.0
   69    66    68    71   0.86500  1.0 1.0
   69    66    68    71  -0.17500 -1.0 2.0
   69    66    68    71   0.20800  1.0 3.0
   69    66    68    74   0.86500  1.0 1.0
   69    66    68    74  -0.17500 -1.0 2.0
   69    66    68    74   0.20800  1.0 3.0
   64    61    63    66  -0.81800  1.0 1.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.56750  1.0 1.0
   54    50    52    58  -0.07550 -1.0 2.0
   54    50    52    58   0.20000  1.0 3.0
   54    50    52    68   0.56750  1.0 1.0
   54    50    52    68  -0.07550 -1.0 2.0
   54    50    52    68   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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
END
