* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    226     440
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   105.39792     0.90222
    3     1 S   H    _H1_     3     1.02092    47.21328   102.32632
    4     1 S   H    _H2_     4     1.02080    65.38466  -102.97027
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C4_    36     1.80967    98.50622   -78.13110
   34    33 S   HC   _H13    37     1.09150   109.14238   -59.24492
   35    33 S   HC   _H14    38     1.09094   109.20573    59.19829
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C5_    39     1.52557   110.34117   179.98022
   40    39 S   HC   _H3_    40     1.09809   107.64880   -57.71923
   41    39 S   CT   _C6_    41     1.53043   112.29934  -179.66839
   42    41 S   HC   _H4_    42     1.09752   110.89713   -54.24505
   43    41 S   CT   _C7_    43     1.53006   110.66730  -175.20135
   44    43 S   HC   _H5_    44     1.09766   110.23624   -73.83197
   45    41 S   OH   _O45    79     1.42444   110.51354    65.17859
   46    45 S   HO   _H20    80     0.96991   106.57406    61.19696
   47    43 S   CT   _C8_    45     1.53219   111.55530    49.57078
   48    47 S   HC   _H6_    46     1.09780   110.22576    74.79259
   49    43 S   OS   _O38    58     1.42924   108.96490   169.28711
   50    47 S   CO   _C9_    47     1.53250   111.18977   -48.13941
   51    50 S   HC   _H7_    48     1.09749   111.19414   -68.71895
   52    47 S   NS   _N4_    52     1.48948   108.70969  -168.04492
   53    52 S   H    _H16    53     1.02407   112.77784    18.88507
   54    49 S   CO   _C10    59     1.42639   111.23146    88.99431
   55    54 S   HC   _H8_    60     1.09565   107.09132   -29.91438
   56    39 S   OS   _O33    49     1.42895   107.18578    59.79317
   57    50 S   OH   _O34    50     1.42664   108.14385   173.05677
   58    57 S   HO   _H15    51     0.96887   106.42929  -179.94405
   59    52 S   SY   _S1_    54     1.74098   116.80427  -119.14150
   60    59 S   OY   _O37    55     1.46205   104.28300    46.74332
   61    59 S   OY   _O35    56     1.46192   102.91229   166.54008
   62    59 S   OY   _O36    57     1.46179   104.18001   -73.72044
   63    54 S   CT   _C11    61     1.52759   110.28164  -148.80556
   64    63 S   HC   _H9_    62     1.09716   109.64318   172.77974
   65    63 S   CT   _C12    63     1.52789   110.98724   -66.54436
   66    65 S   HC   _H10    64     1.09646   111.51303    71.77129
   67    63 S   OH   _O44    77     1.42340   109.03531    55.36817
   68    67 S   HO   _H19    78     0.97039   106.69313   177.82498
   69    65 S   CT   _C13    65     1.53154   110.36063   -51.87564
   70    69 S   HC   _H11    66     1.09774   109.56054   -74.33124
   71    65 S   OH   _O43    75     1.42827   109.60746  -170.59968
   72    71 S   HO   _H18    76     0.96959   106.37309    60.21036
   73    69 S   CT   _C14    67     1.52540   111.32173    48.72462
   74    73 S   HC   _H12    68     1.09530   112.37070    73.75386
   75    69 S   OH   _O42    73     1.42792   108.88234   168.64738
   76    75 S   HO   _H17    74     0.96916   106.38606   178.49650
   77    54 S   OS   _O39    69     1.42794   112.09737    88.56155
   78    73 S   CO3  _C15    70     1.51657   107.03415  -167.86651
   79    78 S   O2Z  _O41    71     1.26182   115.33839    58.80703
   80    78 S   O2Z  _O40    72     1.26340   114.74453  -121.22647
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  17   7   4   1  14   8
  10   7   4   7   4  13   6   2   1   1   3   2   1   1  12   7
  13   7   4   1  11   7   3   1   7   5   3   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    50    56    45  
   35    39    40    41    56  
   39    40    41    56  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    56    57    49    45    46  
   41    42    43    50    56    45  
   42    43    44    47    48    50    56    52    49    54    45    46  
   43    44    47    56    49    45    46  
   44    47    48    50    51    56    57    52    53    59    49    54    55    63    77    45    46  
   47    48    50    52    49    54    45  
   46    47    49    56  
    0  
   48    50    51    56    57    58    52    53    59    60    61    62    49    54  
   50    51    56    57    52    53    59    49  
   54    55    63    64    65    73    77    67    50    52  
   51    56    57    58    52    53    59  
   56    57    58    52  
   53    59    60    61    62    56    57  
   59    60    61    62  
   55    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   57    58  
   58  
    0  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    75    76  
   77    78    79    80    75  
   76    77    78  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.168800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.881400   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.2500   1.581400   2.0020   1.7750   0.025682759  -1.666211680
   60   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   61   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   62   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    56   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    50   250.000  1.527
   47    52   300.000  1.458
   50    51   340.000  1.090
   50    56   320.000  1.380
   50    57   380.000  1.407
   57    58   553.000  0.945
   52    53   500.000  1.020
   52    59   245.000  1.722
   59    60   735.000  1.471
   59    61   735.000  1.471
   59    62   735.000  1.471
   49    54   320.000  1.380
   54    55   340.000  1.090
   54    63   250.000  1.527
   54    77   320.000  1.380
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   320.000  1.410
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   73    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   75    76   553.000  0.945
   71    72   553.000  0.945
   67    68   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    56    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    56    50    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    50    75.00000  109.43000
   43    47    52    80.00000  110.21000
   43    49    54    60.00000  109.50000
   47    43    44    37.50000  110.70000
   47    50    51    45.00000  112.01100
   47    50    56    90.00000  108.56700
   47    50    57    90.00000  110.19100
   47    52    53    45.00000  110.67700
   47    52    59    75.00000  117.08200
   50    47    48    45.00000  108.72000
   50    57    58    70.00000  107.92000
   56    39    40    35.00000  109.50000
   56    39    41    50.00000  109.50000
   56    50    51    35.00000  109.50000
   57    50    51    60.00000  108.02500
   57    50    56   110.00000  112.08000
   52    47    48    50.00000  109.35000
   52    47    50    80.00000  110.21000
   52    59    60   115.00000  107.22500
   52    59    61   115.00000  107.22500
   52    59    62   115.00000  107.22500
   59    52    53    50.00000  110.93800
   61    59    60   115.00000  120.17200
   62    59    60   115.00000  120.17200
   62    59    61   115.00000  120.17200
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    63    90.00000  108.56700
   49    54    77    92.60000  111.55000
   54    63    64    45.00000  108.72000
   54    63    65    75.00000  109.43000
   54    63    67    90.00000  111.58700
   54    77    73    60.00000  109.50000
   63    54    55    45.00000  112.01100
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    50.00000  109.50000
   63    67    68    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    50.00000  109.50000
   65    71    72    55.00000  108.50000
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    50.00000  109.50000
   69    73    78    70.00000  109.69300
   69    75    76    55.00000  108.50000
   73    69    70    37.50000  110.70000
   73    78    79    70.00000  117.00000
   73    78    80    70.00000  117.00000
   77    54    55    35.00000  109.50000
   77    54    63    90.00000  108.56700
   77    73    74    35.00000  109.50000
   78    73    74    35.00000  109.50000
   78    73    77    85.00000  109.63000
   80    78    79    80.00000  126.00000
   75    69    70    35.00000  109.50000
   75    69    73    50.00000  109.50000
   71    65    66    35.00000  109.50000
   71    65    69    50.00000  109.50000
   67    63    64    35.00000  109.50000
   67    63    65    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    56    50   0.06250  1.0 1.0
   33    39    56    50  -0.01100 -1.0 2.0
   33    39    56    50   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    56   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    56   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.62750  1.0 1.0
   39    41    43    49  -0.30950 -1.0 2.0
   39    41    43    49   0.27300  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    56    50   0.37050  1.0 3.0
   41    39    56    50   0.06250  1.0 1.0
   41    39    56    50  -0.01100 -1.0 2.0
   41    39    56    50   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    50   3.97050  1.0 1.0
   41    43    47    52   1.85550  1.0 1.0
   41    43    47    52  -0.84100 -1.0 2.0
   41    43    49    54   0.06250  1.0 1.0
   41    43    49    54  -0.01100 -1.0 2.0
   41    43    49    54   0.28050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    56   0.62750  1.0 1.0
   43    47    50    56  -0.30950 -1.0 2.0
   43    47    50    56   0.27300  1.0 3.0
   43    47    50    57   0.86500  1.0 1.0
   43    47    50    57  -0.17500 -1.0 2.0
   43    47    50    57   0.20800  1.0 3.0
   43    47    52    53  -0.34300  1.0 1.0
   43    47    52    53  -0.06000 -1.0 2.0
   43    47    52    59  -0.71500  1.0 1.0
   43    47    52    59  -0.42400 -1.0 2.0
   43    47    52    59   0.18500  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    63   0.06250  1.0 1.0
   43    49    54    63  -0.01100 -1.0 2.0
   43    49    54    63   0.28050  1.0 3.0
   43    49    54    77  -0.53350  1.0 1.0
   43    49    54    77  -0.78350 -1.0 2.0
   43    49    54    77   0.33750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   47    43    49    54   0.06250  1.0 1.0
   47    43    49    54  -0.01100 -1.0 2.0
   47    43    49    54   0.28050  1.0 3.0
   47    50   -56    39   0.06250  1.0 1.0
   47    50   -56    39  -0.01100 -1.0 2.0
   47    50   -56    39   0.28050  1.0 3.0
   47    50    57    58  -0.11600  1.0 1.0
   47    50    57    58  -0.09450 -1.0 2.0
   47    50    57    58   0.21250  1.0 3.0
   47    52    59    60  -0.30400  1.0 1.0
   47    52    59    60   0.50450 -1.0 2.0
   47    52    59    60   0.65550  1.0 3.0
   47    52    59    61  -0.30400  1.0 1.0
   47    52    59    61   0.50450 -1.0 2.0
   47    52    59    61   0.65550  1.0 3.0
   47    52    59    62  -0.30400  1.0 1.0
   47    52    59    62   0.50450 -1.0 2.0
   47    52    59    62   0.65550  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   48    47    50    57   0.23400  1.0 3.0
   48    47    52    53   0.07700  1.0 3.0
   48    47    52    59   0.15000  1.0 3.0
   50    47    52    53  -0.34300  1.0 1.0
   50    47    52    53  -0.06000 -1.0 2.0
   50    47    52    59  -0.71500  1.0 1.0
   50    47    52    59  -0.42400 -1.0 2.0
   50    47    52    59   0.18500  1.0 3.0
   51    50    56    39   0.37050  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   56    39    41    42   0.23400  1.0 3.0
   56    39   -41    43   0.62750  1.0 1.0
   56    39   -41    43  -0.30950 -1.0 2.0
   56    39   -41    43   0.27300  1.0 3.0
   56    39    41    45   3.69350  1.0 1.0
   56    39    41    45  -1.82950 -1.0 2.0
   56    50    57    58  -0.50000  1.0 1.0
   56    50    57    58  -0.73950 -1.0 2.0
   56    50    57    58   0.17150  1.0 3.0
   57    50    56    39  -0.81800  1.0 1.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   1.74050  1.0 1.0
   52    47    50    57   4.93250  1.0 1.0
   52    47    50    57   0.00050 -1.0 2.0
   52    47    50    57   0.00050  1.0 3.0
   53    52    59    60   1.12100  1.0 1.0
   53    52    59    60   0.54800 -1.0 2.0
   53    52    59    60  -0.29400  1.0 3.0
   53    52    59    61   1.12100  1.0 1.0
   53    52    59    61   0.54800 -1.0 2.0
   53    52    59    61  -0.29400  1.0 3.0
   53    52    59    62   1.12100  1.0 1.0
   53    52    59    62   0.54800 -1.0 2.0
   53    52    59    62  -0.29400  1.0 3.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50   0.62750  1.0 1.0
   49    43    47    50  -0.30950 -1.0 2.0
   49    43    47    50   0.27300  1.0 3.0
   49    43    47    52   1.74050  1.0 1.0
   49    54    63    64   0.23400  1.0 3.0
   49    54    63    65   0.62750  1.0 1.0
   49    54    63    65  -0.30950 -1.0 2.0
   49    54    63    65   0.27300  1.0 3.0
   49    54    63    67   3.69350  1.0 1.0
   49    54    63    67  -1.82950 -1.0 2.0
   49    54    77    73  -0.81800  1.0 1.0
   54    63    65    66   0.15000  1.0 3.0
   54    63    65    69   3.97050  1.0 1.0
   54    63    65    71   0.86500  1.0 1.0
   54    63    65    71  -0.17500 -1.0 2.0
   54    63    65    71   0.20800  1.0 3.0
   54    63    67    68  -0.11600  1.0 1.0
   54    63    67    68  -0.09450 -1.0 2.0
   54    63    67    68   0.21250  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    67   0.23400  1.0 3.0
   55    54    77    73   0.37050  1.0 3.0
   63    54    77    73   0.06250  1.0 1.0
   63    54    77    73  -0.01100 -1.0 2.0
   63    54    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75   0.86500  1.0 1.0
   63    65    69    75  -0.17500 -1.0 2.0
   63    65    69    75   0.20800  1.0 3.0
   63    65    71    72  -0.11600  1.0 1.0
   63    65    71    72  -0.09450 -1.0 2.0
   63    65    71    72   0.21250  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68  -0.11600  1.0 1.0
   65    63    67    68  -0.09450 -1.0 2.0
   65    63    67    68   0.21250  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78  -1.63150  1.0 1.0
   65    69    73    78  -0.43550 -1.0 2.0
   65    69    73    78   0.24500  1.0 3.0
   65    69    75    76  -0.11600  1.0 1.0
   65    69    75    76  -0.09450 -1.0 2.0
   65    69    75    76   0.21250  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72  -0.11600  1.0 1.0
   69    65    71    72  -0.09450 -1.0 2.0
   69    65    71    72   0.21250  1.0 3.0
   69    73   -77    54   0.06250  1.0 1.0
   69    73   -77    54  -0.01100 -1.0 2.0
   69    73   -77    54   0.28050  1.0 3.0
   69    73    78    79   0.41150 -1.0 2.0
   69    73    78    80   0.41150 -1.0 2.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78  -0.11250  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   74    73    77    54   0.37050  1.0 3.0
   74    73    78    79   0.00000  1.0 1.0
   74    73    78    80   0.00000  1.0 1.0
   77    54    63    64   0.23400  1.0 3.0
   77    54   -63    65   0.62750  1.0 1.0
   77    54   -63    65  -0.30950 -1.0 2.0
   77    54   -63    65   0.27300  1.0 3.0
   77    54    63    67   3.69350  1.0 1.0
   77    54    63    67  -1.82950 -1.0 2.0
   77    73    78    79   0.30150 -1.0 2.0
   77    73    78    80   0.30150 -1.0 2.0
   78    73    77    54  -1.11000  1.0 1.0
   78    73    77    54   0.50250 -1.0 2.0
   78    73    77    54   0.47450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   3.69350  1.0 1.0
   75    69    73    77  -1.82950 -1.0 2.0
   75    69    73    78  -5.33000  1.0 1.0
   75    69    73    78  -0.54250 -1.0 2.0
   75    69    73    78  -0.07300  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73   0.86500  1.0 1.0
   71    65    69    73  -0.17500 -1.0 2.0
   71    65    69    73   0.20800  1.0 3.0
   71    65    69    75   3.75450  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69   0.86500  1.0 1.0
   67    63    65    69  -0.17500 -1.0 2.0
   67    63    65    69   0.20800  1.0 3.0
   67    63    65    71   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.69350  1.0 1.0
   45    41    43    49  -1.82950 -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
   37    30    36    38  10.50000 -1.0 2.0
   53    59    52    47   1.00000 -1.0 2.0
   79    73    78    80  10.50000 -1.0 2.0
END
