* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    144    222     435
    1     0 S   NP   _N1_     1    28.79838    94.09242   -20.42407
    2     1 S   H    _HN1     2     1.02964    92.43607    41.50369
    3     1 S   H    _H1_     3     1.02826    27.92488   164.26262
    4     1 S   H    _H2_     4     1.02761    91.06959   -66.99736
    5     1 S   CT   _CA1     5     1.50289   138.58206   166.35694
    6     5 S   HC   _HA1     6     1.09594   104.98889    58.18522
    7     5 S   CO3  _C1_     7     1.53895   112.56715   -61.10589
    8     7 S   O2Z  _O11     8     1.26393   115.08517   -32.19905
    9     7 S   O2Z  _O12     9     1.26277   114.96080   146.44940
   10     5 S   CT   _CB1    10     1.53128   107.19923   175.64909
   11    10 S   HC   HB11    11     1.09825   108.97617   -50.64384
   12    10 S   HC   HB12    12     1.09777   110.36972    65.55538
   13    10 S   CT   _CG1    13     1.53030   113.12840  -171.82596
   14    13 S   HC   HG11    14     1.09538   110.44061   -66.95169
   15    13 S   HC   HG12    15     1.09659   110.01520    52.16901
   16    13 S   C    _CD1    16     1.51930   112.46142   172.05549
   17    16 S   O    _OE1    17     1.22734   123.22933    -7.96499
   18    16 S   N    _N2_    18     1.38653   111.69194   173.14866
   19    18 S   H    _HN2    19     1.01602   118.83539    -1.38931
   20    18 S   CT1  _CA2    20     1.46364   123.62514   178.12842
   21    20 S   HC   _HA2    21     1.09749   109.17990   -17.88622
   22    20 S   C    _C2_    22     1.53471   108.01288  -133.25394
   23    22 S   O    _O2_    23     1.23001   122.33904  -145.70101
   24    20 S   CT   _CB2    32     1.53506   111.71204   104.54308
   25    24 S   HC   HB21    33     1.09457   109.66955    52.38524
   26    24 S   HC   HB22    34     1.09499   110.67740   171.23039
   27    22 S   N    _N3_    24     1.38541   113.27594    41.67277
   28    27 S   H    _HN3    25     1.01536   118.89934    -0.63551
   29    24 S   S    _SG2    35     1.82672   111.42933   -69.66322
   30    27 S   CT   _CA3    26     1.45450   123.48890   175.06271
   31    30 S   HC   HA31    27     1.09523   109.26670    23.61235
   32    30 S   HC   HA32    28     1.09498   107.10857   140.63472
   33    29 S   CT   _C15    36     1.83628   100.36480   165.71182
   34    33 S   HC   _H3_    37     1.09984   102.81031    46.85026
   35    30 S   CO3  _C3_    29     1.52933   113.12023   -99.87937
   36    35 S   O2Z  _O31    30     1.26406   115.42799   -43.60547
   37    35 S   O2Z  _O32    31     1.26359   114.96553   137.32730
   38    33 S   CT   _C8_    38     1.55410   115.64446   -66.94153
   39    38 S   HC   _H25    39     1.09676   109.99023  -158.91310
   40    38 S   HC   _H26    40     1.10077   105.55240    89.92276
   41    33 S   CT   _C12    57     1.55969   110.67618   158.01536
   42    41 S   HC   _H32    58     1.09914   109.90344   -34.26247
   43    38 S   CT   _C7_    41     1.54344   121.64464   -29.08491
   44    43 S   HC   _H23    42     1.10055   106.51380   162.65483
   45    43 S   HC   _H24    43     1.09504   111.41517    50.56844
   46    41 S   CO4  _C6_    59     1.52148   107.52893  -147.96498
   47    46 S   O    _O16    60     1.22736   123.31854   106.13232
   48    46 S   HC   _H22    61     1.10391   116.09060   -71.98626
   49    43 S   CM   _C4_    44     1.51411   117.17247   -77.67865
   50    49 S   CT   _C11    45     1.51220   116.60106   105.59132
   51    50 S   HC   _H31    46     1.09115   108.99546   -24.98115
   52    49 S   CM   _C5_    76     1.34440   120.12294   -79.60056
   53    52 S   HC   _H20    77     1.08432   121.97597  -176.23023
   54    52 S   HC   _H21    78     1.08545   121.13106     2.96260
   55    50 S   CT   _C14    47     1.55210   119.09353  -149.08688
   56    55 S   HC   _H34    48     1.09602   108.32323   -74.67471
   57    50 S   OH   _O17    74     1.43325   107.15413    86.50339
   58    57 S   HO   _H43    75     0.97248   108.40357    75.09674
   59    55 S   CT   _C13    49     1.56163   116.57937    48.76736
   60    59 S   HC   _H33    50     1.09719   106.51902   -72.51521
   61    55 S   OH   _O18    72     1.43639   107.69483   171.69731
   62    61 S   HO   _H44    73     0.97209   108.17105   -61.46163
   63    59 S   CT   _C10    51     1.55567   111.43614    45.72092
   64    63 S   HC   _H29    52     1.09612   111.43267   125.63917
   65    63 S   HC   _H30    53     1.08846   110.62020    10.95416
   66    59 S   CT   _C18    62     1.56475   113.13247   171.75050
   67    66 S   HC   _H42    63     1.09762   109.02195   -70.75838
   68    63 S   CT   _C9_    54     1.53460   111.74043  -113.09302
   69    68 S   HC   _H27    55     1.09940   106.90693   -84.18711
   70    68 S   HC   _H28    56     1.09143   111.90536    29.28037
   71    66 S   CT   _C16    64     1.53470   112.68734    48.89975
   72    71 S   HC   _H36    65     1.09527   111.16220    54.56788
   73    71 S   HC   _H37    66     1.09379   111.68808   -66.57583
   74    71 S   HC   _H38    67     1.09567   110.85538   174.60515
   75    66 S   CT   _C17    68     1.53742   111.38390   170.36516
   76    75 S   HC   _H39    69     1.09547   111.05942   -58.95194
   77    75 S   HC   _H40    70     1.09566   110.70197  -178.72928
   78    75 S   HC   _H41    71     1.09317   112.17446    61.97579
  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
  17   8   2   1   1  12   6   5  12   7  10   4   3   6   2   1
  11  14   7   4   1   1  15   7   3   1  19   9   3   1   9   5
   4  10   8   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    68    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    49    63    68    69    70    41    42    46    47    48  
   38    39    40    43    68    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    49    50    68    41    42    46    52  
   40    43    44    45    49    41  
   43    44    45    49    41  
   42    46    47    48    43    59    63    64    65    68    69    70  
   46    47    48    63    68    69    70  
   44    45    49    50    51    55    57    52    53    54  
   45    49    50    52  
   49    50    52  
   47    48    63    68    69    70  
   48    68  
   68  
   50    51    55    56    59    61    57    58    52    53    54  
   51    55    56    59    60    63    66    61    62    57    58    52    53    54  
   55    56    59    61    57    58    52  
   53    54    55    57  
   54  
    0  
   56    59    60    63    64    65    68    66    67    71    75    61    62    57    58  
   59    60    63    66    61    62    57  
   58    59    61  
    0  
   60    63    64    65    68    69    70    66    67    71    72    73    74    75    76    77    78    61    62  
   63    64    65    68    66    67    71    75    61  
   62    63    66  
    0  
   64    65    68    69    70    66    67    71    75  
   65    68    69    70    66  
   68    69    70    66  
   67    71    72    73    74    75    76    77    78    68  
   71    72    73    74    75    76    77    78  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   317.000  1.510
   49    52   549.000  1.340
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    41   268.000  1.529
   41    42   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    48   340.000  1.090
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   553.000  0.945
   57    58   553.000  0.945
   52    53   340.000  1.080
   52    54   340.000  1.080
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    68    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    49    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    50    65.00000  117.92700
   43    49    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    50    51    35.00000  109.50000
   49    50    55    70.00000  112.02700
   49    50    57    90.00000  110.39200
   49    52    53    35.00000  120.00000
   49    52    54    35.00000  120.00000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    61    50.00000  109.50000
   50    57    58    55.00000  108.50000
   55    50    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    66    58.35000  112.70000
   55    61    62    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    68    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    71    58.35000  112.70000
   59    66    75    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    41    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    41    42    37.50000  110.70000
   68    41    46    63.00000  111.10000
   70    68    69    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    68    70    37.50000  110.70000
   41    46    47    80.00000  120.40000
   41    46    48    35.00000  115.00000
   46    41    42    35.00000  109.50000
   48    46    47    35.00000  123.00000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   71    66    67    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   52    49    50    70.00000  124.00000
   54    52    53    35.00000  117.00000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    68   0.44750  1.0 1.0
   29    33    41    68  -0.17800 -1.0 2.0
   29    33    41    68   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    48   0.74550  1.0 1.0
   33    41    46    48  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    68   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46  -0.11250  1.0 3.0
   38    33    41    68   0.56750  1.0 1.0
   38    33    41    68  -0.07550 -1.0 2.0
   38    33    41    68   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    43    49    50   0.46850  1.0 1.0
   38    43    49    50   0.08550 -1.0 2.0
   38    43    49    50   0.09800  1.0 3.0
   38    43    49    52   0.09850  1.0 1.0
   38    43    49    52   0.15250 -1.0 2.0
   38    43    49    52  -0.50650  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   43    49    50    51   0.34800  1.0 3.0
   43    49    50    55   0.46850  1.0 1.0
   43    49    50    55   0.08550 -1.0 2.0
   43    49    50    55   0.09800  1.0 3.0
   43    49    50    57   0.18000  1.0 1.0
   43    49    50    57   0.16450 -1.0 2.0
   43    49    50    57   0.04450  1.0 3.0
   43    49    52    53   7.00000 -1.0 2.0
   43    49    52    54   7.00000 -1.0 2.0
   44    43    49    50   0.34800  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   45    43    49    50   0.34800  1.0 3.0
   45    43    49    52   0.00000  1.0 1.0
   49    50    55    56   0.15000  1.0 3.0
   49    50    55    59   0.34400  1.0 1.0
   49    50    55    59   0.09450 -1.0 2.0
   49    50    55    59   0.11100  1.0 3.0
   49    50    55    61   1.05650  1.0 1.0
   49    50    55    61   0.15600 -1.0 2.0
   49    50    55    61   0.53150  1.0 3.0
   49    50    57    58  -0.07800  1.0 1.0
   49    50    57    58  -0.21500 -1.0 2.0
   49    50    57    58  -0.03150  1.0 3.0
   50    49    52    53   7.00000 -1.0 2.0
   50    49    52    54   7.00000 -1.0 2.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    63   0.56750  1.0 1.0
   50    55    59    63  -0.07550 -1.0 2.0
   50    55    59    63   0.20000  1.0 3.0
   50    55    59    66   0.56750  1.0 1.0
   50    55    59    66  -0.07550 -1.0 2.0
   50    55    59    66   0.20000  1.0 3.0
   50    55    61    62  -0.11600  1.0 1.0
   50    55    61    62  -0.09450 -1.0 2.0
   50    55    61    62   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    61   0.23400  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   55    50    57    58  -0.11600  1.0 1.0
   55    50    57    58  -0.09450 -1.0 2.0
   55    50    57    58   0.21250  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    68   0.56750  1.0 1.0
   55    59    63    68  -0.07550 -1.0 2.0
   55    59    63    68   0.20000  1.0 3.0
   55    59    66    67   0.15000  1.0 3.0
   55    59    66    71   0.56750  1.0 1.0
   55    59    66    71  -0.07550 -1.0 2.0
   55    59    66    71   0.20000  1.0 3.0
   55    59    66    75   0.56750  1.0 1.0
   55    59    66    75  -0.07550 -1.0 2.0
   55    59    66    75   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62  -0.11600  1.0 1.0
   59    55    61    62  -0.09450 -1.0 2.0
   59    55    61    62   0.21250  1.0 3.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    41   0.56750  1.0 1.0
   59    63    68    41  -0.07550 -1.0 2.0
   59    63    68    41   0.20000  1.0 3.0
   59    66    71    72   0.15000  1.0 3.0
   59    66    71    73   0.15000  1.0 3.0
   59    66    71    74   0.15000  1.0 3.0
   59    66    75    76   0.15000  1.0 3.0
   59    66    75    77   0.15000  1.0 3.0
   59    66    75    78   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    71   0.15000  1.0 3.0
   60    59    66    75   0.15000  1.0 3.0
   63    59    66    67   0.15000  1.0 3.0
   63    59    66    71   0.56750  1.0 1.0
   63    59    66    71  -0.07550 -1.0 2.0
   63    59    66    71   0.20000  1.0 3.0
   63    59    66    75   0.56750  1.0 1.0
   63    59    66    75  -0.07550 -1.0 2.0
   63    59    66    75   0.20000  1.0 3.0
   63    68    41    33   0.56750  1.0 1.0
   63    68    41    33  -0.07550 -1.0 2.0
   63    68    41    33   0.20000  1.0 3.0
   63    68    41    42   0.15000  1.0 3.0
   63    68    41    46  -0.95700  1.0 1.0
   63    68    41    46  -0.18200 -1.0 2.0
   63    68    41    46   0.29450  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    41   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    41   0.15000  1.0 3.0
   68    41    46    47   0.30150 -1.0 2.0
   68    41    46    48   0.74550  1.0 1.0
   68    41    46    48  -0.00500 -1.0 2.0
   69    68    41    33   0.15000  1.0 3.0
   69    68    41    42   0.15000  1.0 3.0
   69    68    41    46  -0.11250  1.0 3.0
   70    68    41    33   0.15000  1.0 3.0
   70    68    41    42   0.15000  1.0 3.0
   70    68    41    46  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   66    59    63    64   0.15000  1.0 3.0
   66    59    63    65   0.15000  1.0 3.0
   66    59    63    68   0.56750  1.0 1.0
   66    59    63    68  -0.07550 -1.0 2.0
   66    59    63    68   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    78   0.15000  1.0 3.0
   71    66    75    76   0.15000  1.0 3.0
   71    66    75    77   0.15000  1.0 3.0
   71    66    75    78   0.15000  1.0 3.0
   75    66    71    72   0.15000  1.0 3.0
   75    66    71    73   0.15000  1.0 3.0
   75    66    71    74   0.15000  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   0.86500  1.0 1.0
   61    55    59    63  -0.17500 -1.0 2.0
   61    55    59    63   0.20800  1.0 3.0
   61    55    59    66   0.86500  1.0 1.0
   61    55    59    66  -0.17500 -1.0 2.0
   61    55    59    66   0.20800  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    59   0.86500  1.0 1.0
   57    50    55    59  -0.17500 -1.0 2.0
   57    50    55    59   0.20800  1.0 3.0
   57    50    55    61   3.75450  1.0 1.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    55   0.09850  1.0 1.0
   52    49    50    55   0.15250 -1.0 2.0
   52    49    50    55  -0.50650  1.0 3.0
   52    49    50    57   0.67800  1.0 1.0
   52    49    50    57   0.47050 -1.0 2.0
   52    49    50    57  -0.62500  1.0 3.0
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
   43    50    49    52   1.10000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   53    54    52    49   1.10000 -1.0 2.0
END
