* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    146    216     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02075   105.91575   -26.28627
    3     1 S   H    _H1_     3     1.02084    63.37557    77.00150
    4     1 S   H    _H2_     4     1.02126    49.01908  -127.47761
    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   _C20    36     1.80776    98.61927  -178.16656
   34    33 S   HC   _H24    37     1.09301   109.21252    40.72533
   35    33 S   HC   _H25    38     1.09252   109.41989   158.97293
   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   CM   _C18    39     1.48966   110.01753   -79.96478
   40    39 S   CM   _C19    40     1.33860   128.77635   120.33299
   41    40 S   OS   _O36    41     1.39133   115.05445  -175.97776
   42    40 S   OH   _O37    79     1.37116   126.04134     1.97952
   43    42 S   HO   _H23    80     0.96646   110.50880   179.95154
   44    41 S   CT   _C7_    42     1.44132   103.36853   -15.58681
   45    44 S   HC   _H3_    43     1.09570   107.16480   -93.86106
   46    44 S   CM   _C6_    44     1.50058   108.49578   145.54686
   47    46 S   HC   _H9_    45     1.09021   114.30860   -81.87506
   48    39 S   CT   _C8_    61     1.50876   122.25609   -54.35458
   49    48 S   HC   _H4_    62     1.09942   106.05993    75.49951
   50    46 S   CM   _C5_    46     1.34865   126.96188   110.97334
   51    50 S   CT   _C14    47     1.51959   117.86630   154.83166
   52    51 S   HC   _H15    48     1.09792   110.28675    34.36942
   53    51 S   HC   _H16    49     1.09660   110.41374   151.15756
   54    50 S   CT   _C4_    75     1.50091   125.60047   -16.38006
   55    54 S   HC   _H6_    76     1.08708   109.46545    89.99726
   56    54 S   HC   _H7_    77     1.08769   109.48556   -30.17624
   57    54 S   HC   _H8_    78     1.08790   109.45896  -149.81084
   58    51 S   CT   _C13    50     1.55034   110.77610   -86.65181
   59    58 S   HC   _H13    51     1.09468   109.28896   -75.25031
   60    58 S   HC   _H14    52     1.09683   109.34428   169.19779
   61    58 S   CM   _C12    53     1.51308   111.17736    48.86273
   62    61 S   HC   _H12    54     1.08967   114.03163    71.28461
   63    61 S   CM   _C11    55     1.35045   126.73025   -97.38444
   64    63 S   CT   _C10    56     1.51721   120.15906   165.01606
   65    64 S   HC   _H10    57     1.09821   110.01800    14.68131
   66    64 S   HC   _H11    58     1.09926   106.99310   128.80840
   67    63 S   CT   _C15    65     1.50473   124.27797   -13.73643
   68    67 S   HC   _H17    66     1.08769   109.85239   120.00722
   69    67 S   HC   _H18    67     1.08766   109.18073    -0.22206
   70    64 S   CT   _C9_    59     1.55336   117.68243  -109.29834
   71    70 S   HC   _H5_    60     1.09802   104.47629  -174.39416
   72    67 S   OS   _O33    68     1.41387   109.56449  -119.63197
   73    70 S   OH   _O35    63     1.42468   111.15787   -61.03223
   74    73 S   HO   _H22    64     0.96937   106.61100   -60.00875
   75    72 S   CO4  _C16    69     1.36996   116.12752  -179.97202
   76    75 S   O    _O34    70     1.22404   125.78611    -0.08847
   77    75 S   CT   _C17    71     1.49894   110.20500   179.94766
   78    77 S   HC   _H19    72     1.09300   109.79299   -90.00814
   79    77 S   HC   _H20    73     1.09297   109.87026   148.06877
   80    77 S   HC   _H21    74     1.09412   109.35963    29.02690
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  13   9  10   3   1  12   6  13   4  10
   4  11  12   6   5   4   2   1   1   7   4   3  10   3  11  10
   5   4   7   3   2   3   2   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    70    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    64    70    71    48    49    73    42    43  
   41    44    45    46    70    48    49    42    43  
   44    45    46    47    50    70    48    49    42    43  
   43    44    48  
    0  
   45    46    47    50    51    64    70    71    48    49    73    54  
   46    47    50    70    48    49  
   47    50    51    52    53    58    70    48    49    54    55    56    57  
   50    51    48    54  
   49    73    74    50    63    64    65    66    70    71  
   73    64    70    71  
   51    52    53    58    59    60    61    54    55    56    57  
   52    53    58    59    60    61    62    63    54    55    56    57  
   53    58    59    60    61    54  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    67  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    70    67    68    69    72  
   63    64    67  
   64    65    66    70    71    73    67    68    69    72    75  
   65    66    70    71    73    74    67    68    69    72  
   66    70    71    73    67  
   70    71    73    67  
   68    69    72    75    76    77    70  
   69    72    75  
   72    75  
   71    73    74  
   73    74  
   75    76    77    78    79    80  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    48   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    54   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    48   268.000  1.529
   70    73   320.000  1.410
   48    49   340.000  1.090
   73    74   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    48    44    70.00000  112.02700
   39    48    70    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    85.00000  110.90400
   41    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    70    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    53    35.00000  109.50000
   50    51    58    70.00000  112.02700
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    70.00000  112.02700
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    61    62    35.00000  117.00000
   58    61    63    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    70    70.00000  112.02700
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    72    85.00000  110.90400
   64    70    71    37.50000  110.70000
   64    70    48    58.35000  112.70000
   64    70    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    48    49    37.50000  110.70000
   70    73    74    55.00000  108.50000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    70    71    37.50000  110.70000
   73    70    71    35.00000  109.50000
   73    70    48    50.00000  109.50000
   67    63    64    65.00000  117.92700
   67    72    75    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    75    76    83.00000  123.40000
   72    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   77    75    76    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    50    51    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    44   0.46850  1.0 1.0
   33    39    48    44   0.08550 -1.0 2.0
   33    39    48    44   0.09800  1.0 3.0
   33    39    48    70   0.46850  1.0 1.0
   33    39    48    70   0.08550 -1.0 2.0
   33    39    48    70   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -48    44   0.09850  1.0 1.0
   40    39   -48    44   0.15250 -1.0 2.0
   40    39   -48    44  -0.50650  1.0 3.0
   40    39    48    70   0.09850  1.0 1.0
   40    39    48    70   0.15250 -1.0 2.0
   40    39    48    70  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.48150  1.0 1.0
   40    41    44    46   0.09250 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    48  -0.46850  1.0 1.0
   40    41   -44    48   0.09300 -1.0 2.0
   40    41   -44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.00000  1.0 1.0
   41    44    46    50   0.39000  1.0 1.0
   41    44    46    50  -0.05800 -1.0 2.0
   41    44    46    50  -0.55150  1.0 3.0
   41    44   -48    39   0.61850  1.0 1.0
   41    44   -48    39  -0.22750 -1.0 2.0
   41    44   -48    39   0.15300  1.0 3.0
   41    44    48    70   0.62750  1.0 1.0
   41    44    48    70  -0.30950 -1.0 2.0
   41    44    48    70   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    54   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    70   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.31000  1.0 1.0
   46    44    48    39   0.14700 -1.0 2.0
   46    44    48    39   0.07550  1.0 3.0
   46    44    48    70   0.34400  1.0 1.0
   46    44    48    70   0.09450 -1.0 2.0
   46    44    48    70   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    53   0.00000  1.0 1.0
   46    50    51    58   0.09850  1.0 1.0
   46    50    51    58   0.15250 -1.0 2.0
   46    50    51    58  -0.50650  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    60   0.15000  1.0 3.0
   50    51    58    61   0.31000  1.0 1.0
   50    51    58    61   0.14700 -1.0 2.0
   50    51    58    61   0.07550  1.0 3.0
   51    50    54    55   0.34800  1.0 3.0
   51    50    54    56   0.34800  1.0 3.0
   51    50    54    57   0.34800  1.0 3.0
   51    58    61    62   0.00000  1.0 1.0
   51    58    61    63   0.09850  1.0 1.0
   51    58    61    63   0.15250 -1.0 2.0
   51    58    61    63  -0.50650  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    61   0.15000  1.0 3.0
   58    61    63    64   7.00000 -1.0 2.0
   58    61    63    67   7.00000 -1.0 2.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.33100  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    70   0.09850  1.0 1.0
   61    63    64    70   0.15250 -1.0 2.0
   61    63    64    70  -0.50650  1.0 3.0
   61    63    67    68   0.00000  1.0 1.0
   61    63    67    69   0.00000  1.0 1.0
   61    63    67    72   0.39000  1.0 1.0
   61    63    67    72  -0.05800 -1.0 2.0
   61    63    67    72  -0.55150  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    67   7.00000 -1.0 2.0
   63    64    70    71   0.15000  1.0 3.0
   63    64    70    48   0.34400  1.0 1.0
   63    64    70    48   0.09450 -1.0 2.0
   63    64    70    48   0.11100  1.0 3.0
   63    64    70    73   1.05650  1.0 1.0
   63    64    70    73   0.15600 -1.0 2.0
   63    64    70    73   0.53150  1.0 3.0
   63    67    72    75  -0.82050  1.0 1.0
   63    67    72    75   0.00600 -1.0 2.0
   63    67    72    75   0.04400  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    63    67    69   0.34800  1.0 3.0
   64    63    67    72   0.09700  1.0 1.0
   64    63    67    72   0.15600 -1.0 2.0
   64    63    67    72  -0.50800  1.0 3.0
   64    70    48    39   0.34400  1.0 1.0
   64    70    48    39   0.09450 -1.0 2.0
   64    70    48    39   0.11100  1.0 3.0
   64    70    48    44   0.56750  1.0 1.0
   64    70    48    44  -0.07550 -1.0 2.0
   64    70    48    44   0.20000  1.0 3.0
   64    70    48    49   0.15000  1.0 3.0
   64    70    73    74  -0.11600  1.0 1.0
   64    70    73    74  -0.09450 -1.0 2.0
   64    70    73    74   0.21250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    48   0.15000  1.0 3.0
   65    64    70    73   0.23400  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    48   0.15000  1.0 3.0
   66    64    70    73   0.23400  1.0 3.0
   71    70    48    39   0.15000  1.0 3.0
   71    70    48    44   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   71    70    73    74   0.19450  1.0 3.0
   48    39   -40    41   7.00000 -1.0 2.0
   48    39    40    42   7.00000 -1.0 2.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    70    73    74  -0.11600  1.0 1.0
   48    70    73    74  -0.09450 -1.0 2.0
   48    70    73    74   0.21250  1.0 3.0
   73    70    48    39   1.05650  1.0 1.0
   73    70    48    39   0.15600 -1.0 2.0
   73    70    48    39   0.53150  1.0 3.0
   73    70    48    44   0.86500  1.0 1.0
   73    70    48    44  -0.17500 -1.0 2.0
   73    70    48    44   0.20800  1.0 3.0
   73    70    48    49   0.23400  1.0 3.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    70   0.46850  1.0 1.0
   67    63    64    70   0.08550 -1.0 2.0
   67    63    64    70   0.09800  1.0 3.0
   67    72    75    76   3.00000 -1.0 2.0
   67    72    75    77   1.63150  1.0 1.0
   67    72    75    77   2.92000 -1.0 2.0
   68    67    72    75   0.08050  1.0 3.0
   69    67    72    75   0.08050  1.0 3.0
   72    75    77    78   0.00000  1.0 1.0
   72    75    77    79   0.00000  1.0 1.0
   72    75    77    80   0.00000  1.0 1.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   54    50    51    52   0.34800  1.0 3.0
   54    50    51    53   0.34800  1.0 3.0
   54    50    51    58   0.46850  1.0 1.0
   54    50    51    58   0.08550 -1.0 2.0
   54    50    51    58   0.09800  1.0 3.0
   42    40    41    44   2.00000 -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
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    54    50    46   1.10000 -1.0 2.0
   58    62    61    63   1.10000 -1.0 2.0
   64    67    63    61   1.10000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
END
