* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    148    225     437
    1     0 S   NP   _N1_     1    30.47192   100.63945   -18.71284
    2     1 S   H    _HN1     2     1.02780    59.76790   -75.85636
    3     1 S   H    _H1_     3     1.02953    69.56494    51.49077
    4     1 S   H    _H2_     4     1.02830    78.00792   164.96311
    5     1 S   CT   _CA1     5     1.50129   170.33320   -40.02681
    6     5 S   HC   _HA1     6     1.09564   105.20291   -94.57687
    7     5 S   CO3  _C1_     7     1.53796   112.53598   145.16631
    8     7 S   O2Z  _O11     8     1.26378   114.99927   -38.49584
    9     7 S   O2Z  _O12     9     1.26237   115.02659   140.84059
   10     5 S   CT   _CB1    10     1.53100   107.42519    23.55853
   11    10 S   HC   HB11    11     1.09826   109.44646   -48.19260
   12    10 S   HC   HB12    12     1.09819   110.38209    68.44098
   13    10 S   CT   _CG1    13     1.52980   112.65144  -169.15915
   14    13 S   HC   HG11    14     1.09552   110.62419   -64.09358
   15    13 S   HC   HG12    15     1.09665   109.87049    55.11593
   16    13 S   C    _CD1    16     1.51789   112.32645   175.47714
   17    16 S   O    _OE1    17     1.22714   123.32013     1.74080
   18    16 S   N    _N2_    18     1.38618   111.55856  -178.26652
   19    18 S   H    _HN2    19     1.01585   118.95079     1.52406
   20    18 S   CT1  _CA2    20     1.46266   123.46869   178.97798
   21    20 S   HC   _HA2    21     1.09736   109.40935    -5.46813
   22    20 S   C    _C2_    22     1.53428   108.40020  -120.95354
   23    22 S   O    _O2_    23     1.23030   122.39364  -148.03684
   24    20 S   CT   _CB2    32     1.53371   111.31961   116.64909
   25    24 S   HC   HB21    33     1.09531   109.56512    55.61713
   26    24 S   HC   HB22    34     1.09439   110.30162   174.47355
   27    22 S   N    _N3_    24     1.38369   113.50151    39.45290
   28    27 S   H    _HN3    25     1.01626   119.50384    -3.52403
   29    24 S   S    _SG2    35     1.82863   110.98706   -66.22148
   30    27 S   CT   _CA3    26     1.45280   123.15948   177.01338
   31    30 S   HC   HA31    27     1.09552   107.52387   -64.01774
   32    30 S   HC   HA32    28     1.09558   107.95672    52.39939
   33    29 S   CT   _C16    36     1.86253   100.85544   151.21792
   34    33 S   HC   _H3_    37     1.09133   103.16801   -34.23642
   35    30 S   CO3  _C3_    29     1.52940   114.11365   174.38343
   36    35 S   O2Z  _O31    30     1.26370   116.06853    -0.76489
   37    35 S   O2Z  _O32    31     1.26431   114.41018   179.29058
   38    33 S   CT   _C14    38     1.56289   110.29980  -149.18147
   39    38 S   HC   _H34    39     1.08753   109.14185  -159.26430
   40    33 S   CT   _C17    63     1.56837   113.73428    80.76876
   41    38 S   CT   _C13    40     1.54243   113.55956    78.08198
   42    41 S   HC   _H33    41     1.09697   111.43119     5.89767
   43    40 S   CT   _C20    64     1.53872   112.48378    59.10340
   44    43 S   HC   _H43    65     1.09440   111.95492   -60.89833
   45    43 S   HC   _H44    66     1.09677   110.65822  -178.17554
   46    43 S   HC   _H45    67     1.09386   111.85344    61.62991
   47    40 S   OH   _O21    68     1.43776   107.58761   -59.07979
   48    47 S   HO   _H46    69     0.97254   108.31024   174.86683
   49    41 S   CM   _C6_    42     1.49368   100.60467  -110.34981
   50    41 S   CT   _C15    49     1.55802   115.42778   129.48357
   51    50 S   HC   _H35    50     1.09920   107.32569   165.37665
   52    49 S   CO4  _C7_    43     1.47274   110.34247   -13.77668
   53    52 S   O    _O18    44     1.21775   126.91982  -171.98244
   54    49 S   CM   _C8_    46     1.33595   127.85512   164.21808
   55    54 S   HC   _H25    47     1.08522   120.81198     1.10482
   56    54 S   HC   _H26    48     1.08514   121.93898  -178.80663
   57    50 S   CT   _C11    51     1.55543   114.58819   -76.57659
   58    57 S   HC   _H29    52     1.09814   108.03086   -63.18986
   59    57 S   HC   _H30    53     1.09708   109.63415  -177.79353
   60    50 S   OS   _O22    74     1.44571   109.29805    48.00910
   61    38 S   OS   _O20    45     1.44171   112.51441   -44.43086
   62    57 S   CM   _C5_    54     1.51597   115.22744    59.91295
   63    60 S   CO4  _C9_    75     1.36218   117.75546   151.35863
   64    63 S   O    _O19    76     1.22292   126.48756     0.71928
   65    62 S   CM   _C4_    55     1.34742   119.59403   -95.44843
   66    65 S   HC   _H24    56     1.08896   118.21567    -6.43282
   67    62 S   CT   _C18    70     1.50462   116.27395    81.63750
   68    67 S   HC   _H37    71     1.09303   111.17781   -69.30033
   69    67 S   HC   _H38    72     1.09363   112.62287   169.75497
   70    67 S   HC   _H39    73     1.09517   110.10360    50.85952
   71    63 S   CT   _C19    77     1.49828   109.40640  -179.55987
   72    71 S   HC   _H40    78     1.09286   109.80674   -62.39013
   73    71 S   HC   _H41    79     1.09375   109.36792   178.47261
   74    71 S   HC   _H42    80     1.09299   109.83277    59.49874
   75    65 S   CT   _C10    57     1.50183   126.67185   164.41992
   76    75 S   HC   _H27    58     1.09663   109.25297    57.87101
   77    75 S   HC   _H28    59     1.09664   108.69999   172.59822
   78    75 S   CT   _C12    60     1.54644   114.19322   -64.94901
   79    78 S   HC   _H31    61     1.09556   110.05927    57.12211
   80    78 S   HC   _H32    62     1.09988   105.38308   170.03563
  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  10   5   4   3
  20   8   2   1   1  16   7  15  16   8   9   4   3   2   5   1
  10  14   6   5   2   3   1   1  12   5   4   7   1  10   5   4
  11   5   4   2   1   1   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    78    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    52    61    50    75    78    79    80    40    43    44    45    46    47    48  
   38    39    41    61    78    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    52    53    61    54    50    51    57    78    40    43    47    60  
   41    42    49    52    61    50    40  
   43    44    45    46    47    48    41    61    65    75    76    77    78    79    80  
   42    49    52    53    61    54    55    56    50    51    57    58    59    62    60    63  
   49    52    61    54    50    51    57    60  
   44    45    46    47    48    75    78    79    80  
   45    46    47    78  
   46    47    78  
   47    78  
   48    75    78    79    80  
   78  
   52    53    61    54    55    56    50    51    57    60  
   51    57    58    59    62    65    67    60    63    64    71    52    54    61  
   57    58    59    62    60    63  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    75    67    68    69    70    60    63  
   59    62    65    67    60  
   62    65    67    60  
   63    64    71    72    73    74    62  
    0  
   65    66    75    76    77    78    67    68    69    70  
   64    71    72    73    74  
   71    72    73    74  
   66    75    76    77    78    79    80    67    68    69    70  
   75    76    77    78    67  
   68    69    70    75  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    52   320.000  1.462
   49    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   317.000  1.510
   62    65   549.000  1.340
   62    67   317.000  1.510
   65    66   340.000  1.080
   65    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    78    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    52    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    52    65.00000  116.34900
   41    49    54    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    57    58.35000  112.70000
   41    50    60    50.00000  109.50000
   49    41    42    35.00000  109.50000
   49    52    53    80.00000  123.72100
   49    52    61    90.00000  111.29400
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    49    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    62    70.00000  112.02700
   50    60    63    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    62    65    70.00000  124.00000
   57    62    67    65.00000  117.92700
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    75    70.00000  124.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   65    75    76    35.00000  109.50000
   65    75    77    35.00000  109.50000
   65    75    78    70.00000  112.02700
   75    65    66    35.00000  117.00000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    40    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    40    43    58.35000  112.70000
   78    40    47    50.00000  109.50000
   80    78    79    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   67    62    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    71    81.00000  111.40000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   71    63    64    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    78   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    78   0.56750  1.0 1.0
   38    33    40    78  -0.07550 -1.0 2.0
   38    33    40    78   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    52   0.09700  1.0 1.0
   38    41   -49    52   0.15600 -1.0 2.0
   38    41   -49    52  -0.50800  1.0 3.0
   38    41    49    54   0.09850  1.0 1.0
   38    41    49    54   0.15250 -1.0 2.0
   38    41    49    54  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    57   0.56750  1.0 1.0
   38    41    50    57  -0.07550 -1.0 2.0
   38    41    50    57   0.20000  1.0 3.0
   38    41    50    60   0.62750  1.0 1.0
   38    41    50    60  -0.30950 -1.0 2.0
   38    41    50    60   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   41    38   -61    52  -0.25900  1.0 1.0
   41    38   -61    52  -0.47000 -1.0 2.0
   41    38   -61    52   0.11750  1.0 3.0
   41    49    52    53  -0.64400  1.0 1.0
   41    49    52    53   0.26850 -1.0 2.0
   41    49   -52    61  -0.15000  1.0 1.0
   41    49   -52    61   0.89550 -1.0 2.0
   41    49   -52    61  -0.06900  1.0 3.0
   41    49    54    55   7.00000 -1.0 2.0
   41    49    54    56   7.00000 -1.0 2.0
   41    50    57    58   0.15000  1.0 3.0
   41    50    57    59   0.15000  1.0 3.0
   41    50    57    62   0.34400  1.0 1.0
   41    50    57    62   0.09450 -1.0 2.0
   41    50    57    62   0.11100  1.0 3.0
   41    50    60    63  -0.25900  1.0 1.0
   41    50    60    63  -0.47000 -1.0 2.0
   41    50    60    63   0.11750  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   42    41    49    54   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    57   0.15000  1.0 3.0
   42    41    50    60   0.23400  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    57   0.34400  1.0 1.0
   49    41    50    57   0.09450 -1.0 2.0
   49    41    50    57   0.11100  1.0 3.0
   49    41    50    60   0.61850  1.0 1.0
   49    41    50    60  -0.22750 -1.0 2.0
   49    41    50    60   0.15300  1.0 3.0
   49    52   -61    38   2.00000 -1.0 2.0
   52    49    54    55   7.00000 -1.0 2.0
   52    49    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   54    49    52    53   1.00000 -1.0 2.0
   54    49    52    61  -0.56150  1.0 1.0
   54    49    52    61   2.19150 -1.0 2.0
   50    41    49    52   0.09700  1.0 1.0
   50    41    49    52   0.15600 -1.0 2.0
   50    41    49    52  -0.50800  1.0 3.0
   50    41    49    54   0.09850  1.0 1.0
   50    41    49    54   0.15250 -1.0 2.0
   50    41    49    54  -0.50650  1.0 3.0
   50    57    62    65   0.09850  1.0 1.0
   50    57    62    65   0.15250 -1.0 2.0
   50    57    62    65  -0.50650  1.0 3.0
   50    57    62    67   0.46850  1.0 1.0
   50    57    62    67   0.08550 -1.0 2.0
   50    57    62    67   0.09800  1.0 3.0
   50    60    63    64   3.00000 -1.0 2.0
   50    60    63    71   1.63150  1.0 1.0
   50    60    63    71   2.92000 -1.0 2.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   51    50    60    63   0.08050  1.0 3.0
   57    50    60    63  -0.25900  1.0 1.0
   57    50    60    63  -0.47000 -1.0 2.0
   57    50    60    63   0.11750  1.0 3.0
   57    62    65    66   7.00000 -1.0 2.0
   57    62    65    75   7.00000 -1.0 2.0
   57    62    67    68   0.34800  1.0 3.0
   57    62    67    69   0.34800  1.0 3.0
   57    62    67    70   0.34800  1.0 3.0
   58    57    62    65   0.00000  1.0 1.0
   58    57    62    67   0.34800  1.0 3.0
   59    57    62    65   0.00000  1.0 1.0
   59    57    62    67   0.34800  1.0 3.0
   62    65    75    76   0.00000  1.0 1.0
   62    65    75    77   0.00000  1.0 1.0
   62    65    75    78   0.09850  1.0 1.0
   62    65    75    78   0.15250 -1.0 2.0
   62    65    75    78  -0.50650  1.0 3.0
   65    62    67    68   0.00000  1.0 1.0
   65    62    67    69   0.00000  1.0 1.0
   65    62    67    70   0.00000  1.0 1.0
   65    75    78    79   0.15000  1.0 3.0
   65    75    78    80   0.15000  1.0 3.0
   65    75    78    40   0.34400  1.0 1.0
   65    75    78    40   0.09450 -1.0 2.0
   65    75    78    40   0.11100  1.0 3.0
   66    65    75    76   0.33100  1.0 3.0
   66    65    75    77   0.33100  1.0 3.0
   66    65    75    78   0.00000  1.0 1.0
   75    78    40    33   0.56750  1.0 1.0
   75    78    40    33  -0.07550 -1.0 2.0
   75    78    40    33   0.20000  1.0 3.0
   75    78    40    43   0.56750  1.0 1.0
   75    78    40    43  -0.07550 -1.0 2.0
   75    78    40    43   0.20000  1.0 3.0
   75    78    40    47   0.86500  1.0 1.0
   75    78    40    47  -0.17500 -1.0 2.0
   75    78    40    47   0.20800  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    40   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    40   0.15000  1.0 3.0
   78    40    43    44   0.15000  1.0 3.0
   78    40    43    45   0.15000  1.0 3.0
   78    40    43    46   0.15000  1.0 3.0
   78    40    47    48  -0.11600  1.0 1.0
   78    40    47    48  -0.09450 -1.0 2.0
   78    40    47    48   0.21250  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    43   0.15000  1.0 3.0
   79    78    40    47   0.23400  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    43   0.15000  1.0 3.0
   80    78    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   67    62    65    66   7.00000 -1.0 2.0
   67    62    65    75   7.00000 -1.0 2.0
   60    50    57    58   0.23400  1.0 3.0
   60    50    57    59   0.23400  1.0 3.0
   60    50    57    62   0.61850  1.0 1.0
   60    50    57    62  -0.22750 -1.0 2.0
   60    50    57    62   0.15300  1.0 3.0
   60    63    71    72   0.00000  1.0 1.0
   60    63    71    73   0.00000  1.0 1.0
   60    63    71    74   0.00000  1.0 1.0
   64    63    71    72   0.00000  1.0 1.0
   64    63    71    73   0.00000  1.0 1.0
   64    63    71    74   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   41    52    49    54   1.10000 -1.0 2.0
   49    61    52    53  10.50000 -1.0 2.0
   55    56    54    49   1.10000 -1.0 2.0
   57    67    62    65   1.10000 -1.0 2.0
   75    66    65    62   1.10000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
END
