* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    200     405
    1     0 S   NP   _N1_     1    29.08382    94.60887   -24.36853
    2     1 S   H    _HN1     2     1.02785   111.77739   -89.33146
    3     1 S   H    _H1_     3     1.02950    80.44419    16.72277
    4     1 S   H    _H2_     4     1.02828    27.34224  -176.32848
    5     1 S   CT   _CA1     5     1.50119   127.75995   125.18133
    6     5 S   HC   _HA1     6     1.09574   105.19734    83.95035
    7     5 S   CO3  _C1_     7     1.53777   112.43682   -36.27321
    8     7 S   O2Z  _O11     8     1.26370   115.00184   -43.10320
    9     7 S   O2Z  _O12     9     1.26238   114.93929   136.00235
   10     5 S   CT   _CB1    10     1.53076   107.41486  -158.09833
   11    10 S   HC   HB11    11     1.09834   109.33528   -50.01420
   12    10 S   HC   HB12    12     1.09813   110.45483    66.56907
   13    10 S   CT   _CG1    13     1.53003   112.63973  -171.01244
   14    13 S   HC   HG11    14     1.09582   110.62300   -65.86994
   15    13 S   HC   HG12    15     1.09668   109.80430    53.37610
   16    13 S   C    _CD1    16     1.51798   112.19150   173.78902
   17    16 S   O    _OE1    17     1.22741   123.26871     6.54341
   18    16 S   N    _N2_    18     1.38661   111.71886  -173.50756
   19    18 S   H    _HN2    19     1.01582   118.99928     1.41195
   20    18 S   CT1  _CA2    20     1.46118   123.27045   177.20264
   21    20 S   HC   _HA2    21     1.09639   109.16804     2.40648
   22    20 S   C    _C2_    22     1.53515   108.52367  -112.96930
   23    22 S   O    _O2_    23     1.23054   122.36869  -145.38345
   24    20 S   CT   _CB2    32     1.53331   111.76784   124.46299
   25    24 S   HC   HB21    33     1.09519   109.88595    55.84055
   26    24 S   HC   HB22    34     1.09357   109.60737   174.73069
   27    22 S   N    _N3_    24     1.38325   113.65533    42.06951
   28    27 S   H    _HN3    25     1.01589   119.63430    -3.93368
   29    24 S   S    _SG2    35     1.82961   111.54269   -65.52097
   30    27 S   CT   _CA3    26     1.45285   123.05901   178.09947
   31    30 S   HC   HA31    27     1.09530   107.94667   -54.87351
   32    30 S   HC   HA32    28     1.09551   107.61339    61.42947
   33    29 S   CT   _C8_    36     1.87789   100.39378   175.80918
   34    30 S   CO3  _C3_    29     1.52902   114.06248  -177.28913
   35    34 S   O2Z  _O31    30     1.26373   116.01783    -9.99538
   36    34 S   O2Z  _O32    31     1.26421   114.44377   170.19508
   37    33 S   CO4  _C9_    37     1.51277   103.93596  -171.43739
   38    37 S   O    _O35    38     1.22533   124.64652    88.76797
   39    33 S   OS   _O36    76     1.41982   108.44834   -53.43907
   40    37 S   CO4  _C10    39     1.50109   117.61499   -89.24240
   41    40 S   O    _O34    40     1.22464   117.46330   173.02653
   42    39 S   CT   _C11    77     1.42264   115.92882  -178.36290
   43    42 S   HC   _H6_    78     1.09372   107.82640  -179.02763
   44    42 S   HC   _H7_    79     1.09297   111.47639    62.67373
   45    42 S   HC   _H8_    80     1.09272   111.63294   -60.58208
   46    40 S   CM   _C5_    41     1.49036   120.05100    -6.80939
   47    46 S   CM   _C6_    42     1.34749   121.80558    -7.36322
   48    46 S   CT   _C4_    72     1.50652   113.40407   172.54775
   49    48 S   HC   _H3_    73     1.09591   110.36460   -49.76343
   50    48 S   HC   _H4_    74     1.09217   113.65465  -168.89658
   51    48 S   HC   _H5_    75     1.09505   110.15971    69.91300
   52    33 S   CO4  _C7_    43     1.52535   105.80253    68.25988
   53    52 S   O    _O33    44     1.23195   121.24183   -96.60514
   54    47 S   CT   _C12    45     1.51602   124.66772  -178.08378
   55    54 S   HC   _H9_    46     1.09617   110.94005    28.40741
   56    54 S   HC   _H10    47     1.09383   110.63684   142.35535
   57    54 S   CM   _C13    48     1.50474   111.07639   -92.14588
   58    57 S   HC   _H11    49     1.09037   113.95922    70.95252
   59    57 S   CM   _C14    50     1.34750   128.54971  -108.04145
   60    59 S   CT   _C15    51     1.50358   125.30580    -1.05462
   61    60 S   HC   _H12    52     1.09440   110.41466   116.82738
   62    60 S   HC   _H13    53     1.09120   113.61751    -3.88413
   63    60 S   HC   _H14    54     1.09521   110.02361  -123.72302
   64    59 S   CT   _C16    55     1.51703   119.67014   178.92080
   65    64 S   HC   _H15    56     1.09852   110.07291    24.35221
   66    64 S   HC   _H16    57     1.09775   109.41468   139.92266
   67    64 S   CT   _C17    58     1.53184   111.69665   -97.51412
   68    67 S   HC   _H17    59     1.09268   110.18873   -57.05398
   69    67 S   HC   _H18    60     1.09764   109.51692    59.05014
   70    67 S   CM   _C18    61     1.50271   111.41138   178.09094
   71    70 S   HC   _H19    62     1.08971   113.99113   -67.49186
   72    70 S   CM   _C19    63     1.34656   128.05646   113.79004
   73    72 S   CT   _C20    64     1.50609   120.35622   178.59695
   74    73 S   HC   _H20    65     1.09496   110.26747   119.64437
   75    73 S   HC   _H21    66     1.09511   112.43981    -0.47724
   76    73 S   HC   _H22    67     1.09501   110.21127  -120.54374
   77    72 S   CT   _C21    68     1.50250   125.45114    -1.52790
   78    77 S   HC   _H23    69     1.09482   109.95395   116.13639
   79    77 S   HC   _H24    70     1.09534   110.02873  -124.72897
   80    77 S   HC   _H25    71     1.09155   113.75533    -4.85978
  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
  14   2   1   1  10   5   8   9   3   4   2   1   1  11  12   5
   2   1   1   5   1   7   4   3  10   3  11   7   3   2   1   8
   5   4   7   4   3  10   3   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    52    53    54    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    52    53    48    39    42  
   40    41    46    52    39  
   42    43    44    45    40    47    52    53  
   41    46    47    52    54    48    49    50    51  
   46    47    48  
   43    44    45    52  
   44    45  
   45  
    0  
   47    52    53    54    55    56    57    48    49    50    51  
   52    53    54    55    56    57    58    59    48    49    50    51  
   49    50    51    52    54  
   50    51  
   51  
    0  
   53    54    55    56    57  
   54  
   55    56    57    58    59    60    64  
   56    57    58    59  
   57    58    59  
   58    59    60    61    62    63    64    65    66    67  
   59    60    64  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.316400   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   0.444900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.522
   33    52   317.000  1.522
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   250.000  1.523
   40    41   570.000  1.229
   40    46   320.000  1.462
   46    47   549.000  1.340
   46    48   317.000  1.510
   47    52   320.000  1.462
   47    54   317.000  1.510
   52    53   570.000  1.229
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  110.18000
   29    33    52    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.45000
   33    52    47    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    39    42    60.00000  109.50000
   37    40    41    80.00000  119.30300
   37    40    46    65.00000  116.00000
   40    37    38    80.00000  119.30300
   40    46    47    65.00000  118.96000
   40    46    48    65.00000  116.34900
   46    40    41    80.00000  123.72100
   46    47    52    65.00000  118.96000
   46    47    54    70.00000  124.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    35.00000  109.50000
   47    52    53    80.00000  123.72100
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    57    70.00000  110.12100
   52    33    37    75.00000  107.99600
   54    47    52    65.00000  116.34900
   54    57    58    35.00000  117.00000
   54    57    59    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    70.00000  124.00000
   57    59    64    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   48    46    47    70.00000  124.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    52    90.00000  108.74100
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.65300  1.0 1.0
   29    33    52    47  -0.03850 -1.0 2.0
   29    33    52    47   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.49600 -1.0 2.0
   33    37    40    46   0.43900  1.0 1.0
   33    37    40    46  -0.18150 -1.0 2.0
   33    37    40    46  -0.03650  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    52    47   0.65300  1.0 1.0
   37    33    52    47  -0.03850 -1.0 2.0
   37    33    52    47   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40   -46    47   0.50400  1.0 1.0
   37    40   -46    47   1.60000 -1.0 2.0
   37    40   -46    47  -0.01800  1.0 3.0
   37    40    46    48   1.50000 -1.0 2.0
   38    37    40    41   0.06100 -1.0 2.0
   38    37    40    46   0.03000  1.0 1.0
   38    37    40    46   0.58800 -1.0 2.0
   38    37    40    46   0.15550  1.0 3.0
   40    46    47    52   7.00000 -1.0 2.0
   40    46    47    54   7.00000 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46    48    51   0.15000  1.0 3.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    48  -0.64400  1.0 1.0
   41    40    46    48   0.26850 -1.0 2.0
   46    47   -52    33  -0.33500  1.0 1.0
   46    47   -52    33   1.06600 -1.0 2.0
   46    47   -52    33  -0.14000  1.0 3.0
   46    47    52    53   1.00000 -1.0 2.0
   46    47    54    55   0.00000  1.0 1.0
   46    47    54    56   0.00000  1.0 1.0
   46    47    54    57  -0.28300  1.0 1.0
   46    47    54    57   0.26700 -1.0 2.0
   46    47    54    57  -0.63300  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   47    54    57    58   0.00000  1.0 1.0
   47    54    57    59  -0.28300  1.0 1.0
   47    54    57    59   0.26700 -1.0 2.0
   47    54    57    59  -0.63300  1.0 3.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.65300  1.0 1.0
   52    33   -37    40  -0.03850 -1.0 2.0
   52    33   -37    40   0.33900  1.0 3.0
   52    33    39    42  -1.11000  1.0 1.0
   52    33    39    42   0.50250 -1.0 2.0
   52    33    39    42   0.47450  1.0 3.0
   52    47    54    55   0.15000  1.0 3.0
   52    47    54    56   0.15000  1.0 3.0
   52    47    54    57   0.09700  1.0 1.0
   52    47    54    57   0.15600 -1.0 2.0
   52    47    54    57  -0.50800  1.0 3.0
   54    47    52    33   0.25700  1.0 1.0
   54    47    52    33   0.66200 -1.0 2.0
   54    47    52    33   0.04450  1.0 3.0
   54    47    52    53  -0.64400  1.0 1.0
   54    47    52    53   0.26850 -1.0 2.0
   54    57    59    60   7.00000 -1.0 2.0
   54    57    59    64   7.00000 -1.0 2.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.00000  1.0 1.0
   56    54    57    58   0.33100  1.0 3.0
   56    54    57    59   0.00000  1.0 1.0
   57    59    60    61   0.00000  1.0 1.0
   57    59    60    62   0.00000  1.0 1.0
   57    59    60    63   0.00000  1.0 1.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.09850  1.0 1.0
   57    59    64    67   0.15250 -1.0 2.0
   57    59    64    67  -0.50650  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    64   7.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.31000  1.0 1.0
   59    64    67    70   0.14700 -1.0 2.0
   59    64    67    70   0.07550  1.0 3.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.46850  1.0 1.0
   60    59    64    67   0.08550 -1.0 2.0
   60    59    64    67   0.09800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.09850  1.0 1.0
   64    67    70    72   0.15250 -1.0 2.0
   64    67    70    72  -0.50650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   48    46    47    52   7.00000 -1.0 2.0
   48    46    47    54   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47   0.65300  1.0 1.0
   39    33    52    47  -0.03850 -1.0 2.0
   39    33    52    47   0.33900  1.0 3.0
   39    33    52    53   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    46    40    41  10.50000 -1.0 2.0
   40    48    46    47   1.10000 -1.0 2.0
   52    54    47    46   1.10000 -1.0 2.0
   33    47    52    53  10.50000 -1.0 2.0
   54    58    57    59  15.00000 -1.0 2.0
   60    64    59    57  15.00000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
