* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    220     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038    95.59939    30.43545
    3     1 S   H    _H1_     3     1.02128    34.07713   145.84281
    4     1 S   H    _H2_     4     1.02117    84.27926   -77.89054
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C16    36     1.82875    97.74120  -178.14861
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C17    37     1.49371   110.86092   -60.03020
   38    33 S   CT   _C15    56     1.55093   114.28265   165.57646
   39    38 S   HC   _H19    57     1.10327   108.59481   -62.97954
   40    38 S   HC   _H20    58     1.10498   109.04284  -175.98180
   41    37 S   CM   _C18    38     1.33259   108.57363   113.74090
   42    37 S   CT   _C7_    44     1.50917   123.13807   -67.28139
   43    42 S   HC   _H3_    45     1.10919   106.85416     8.45772
   44    41 S   OS   _O34    39     1.38442   115.94724    -1.03533
   45    41 S   OH   _O36    42     1.37008   124.30581   178.31577
   46    45 S   HO   _H21    43     0.96667   110.41494  -179.93744
   47    42 S   CT   _C8_    46     1.54567   110.07556  -107.63119
   48    47 S   HC   _H4_    47     1.11025   109.60602    14.75347
   49    42 S   CT   _C6_    69     1.53412   112.49726   124.38135
   50    49 S   HC   _H11    70     1.09085   108.31481   -40.00450
   51    49 S   HC   _H12    71     1.09136   108.28103    76.86382
   52    33 S   CO4  _C19    40     1.52986   106.48788    46.42352
   53    52 S   O    _O35    41     1.22627   124.62895    62.85760
   54    47 S   CO4  _C9_    48     1.52716   112.07038   134.18863
   55    54 S   O    _O33    49     1.23374   121.19227   122.29847
   56    47 S   OH   _O38    67     1.42077   111.02691  -103.89216
   57    56 S   HO   _H23    68     0.97044   106.71577   176.20424
   58    49 S   CT   _C5_    72     1.52131   110.87730  -161.58995
   59    58 S   HC   _H9_    73     1.09643   110.17951   -60.04523
   60    58 S   HC   _H10    74     1.09622   110.21450    58.09537
   61    54 S   CT   _C10    50     1.52508   118.94932   -56.35124
   62    61 S   HC   _H13    51     1.10084   110.45290    83.73915
   63    61 S   HC   _H14    52     1.10317   107.34627  -163.38962
   64    58 S   CT   _C4_    75     1.52030   110.85861   179.06707
   65    64 S   HC   _H6_    76     1.09523   111.02554   -58.47453
   66    64 S   HC   _H7_    77     1.09501   110.27970  -178.17372
   67    64 S   HC   _H8_    78     1.09401   111.02413    62.07650
   68    61 S   CT   _C11    53     1.53663   114.48709   -41.15467
   69    68 S   HC   _H5_    54     1.09058   108.65196   -15.47998
   70    68 S   CM   _C12    55     1.52049   113.99960   107.88726
   71    68 S   OH   _O37    65     1.43470   108.67985  -131.56109
   72    71 S   HO   _H22    66     0.96866   106.31798    55.82009
   73    70 S   CM   _C13    59     1.34497   120.89747    68.87391
   74    73 S   HC   _H15    60     1.08292   118.48681   172.57770
   75    73 S   CT   _C14    61     1.48821   123.85002    -7.45469
   76    75 S   HC   _H16    62     1.09471   109.79966   -89.95158
   77    75 S   HC   _H17    63     1.09345   112.49156   149.51011
   78    75 S   HC   _H18    64     1.09380   109.77001    29.01078
  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  11   5   4   3
  16   2   1   1  20  15   5   4   9  18   8   4   2   1  13   6
  11   5   4   2   1  10   5   2   1   6   5   4   8   5   4   3
   2   1   1   7   4   8   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    44    52    53    42    70    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    52    53    45    42    43    47    68    70    38    39    40    73    49  
   35    36  
   36  
    0  
   41    44    52    53    45    46    42    43    47    48    54    70    38    39    40    56    49    50    51    58  
   39    40    73    74    75    71    41    42    44    52    53    61    68    69    70  
   40    73    52    68    70  
   73    52    68    70  
   44    52    53    45    46    42    43    47    49  
   43    47    48    54    55    61    56    57    49    50    51    58    59    60    64    44    45    52  
   47    48    54    56    49    50    51    58  
   52    53    45    46  
   46    52  
    0  
   48    54    55    61    62    63    68    56    57    49    50    51    58  
   54    55    61    56    57    49  
   50    51    58    59    60    64    65    66    67    54    56  
   51    58    59    60    64  
   58    59    60    64  
   53    70  
    0  
   55    61    62    63    68    69    70    71    56    57  
   61    62    63    68    56  
   57    61  
    0  
   59    60    64    65    66    67  
   60    64    65    66    67  
   64    65    66    67  
   62    63    68    69    70    73    71    72  
   63    68    69    70    71  
   68    69    70    71  
   65    66    67  
   66    67  
   67  
    0  
   69    70    73    74    75    71    72  
   70    73    71    72  
   73    74    75    76    77    78    71    72  
   72    73  
    0  
   74    75    76    77    78  
   75    76    77    78  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.522
   33    38   268.000  1.529
   37    41   549.000  1.340
   37    42   317.000  1.510
   41    44   440.000  1.360
   41    45   510.000  1.338
   44    52   214.000  1.327
   52    53   570.000  1.229
   45    46   553.000  0.945
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    54   317.000  1.522
   47    56   320.000  1.410
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   317.000  1.510
   68    71   320.000  1.410
   70    38   317.000  1.510
   70    73   549.000  1.340
   38    39   340.000  1.090
   38    40   340.000  1.090
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   553.000  0.945
   56    57   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    52    44    81.00000  111.40000
   33    52    53    80.00000  120.40000
   33    38    70    70.00000  112.02700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    44    80.00000  120.01400
   37    41    45    80.00000  121.38400
   37    42    43    35.00000  109.50000
   37    42    47    70.00000  112.02700
   37    42    49    70.00000  112.02700
   41    44    52    90.00000  114.22900
   41    45    46    70.00000  107.45700
   44    52    53    83.00000  123.40000
   52    33    37    70.00000  109.06800
   45    41    44   115.00000  116.36000
   42    37    41    70.00000  124.00000
   42    47    48    37.50000  110.70000
   42    47    54    63.00000  111.10000
   42    47    56    50.00000  109.50000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    54    55    80.00000  120.40000
   47    54    61    70.00000  116.00000
   47    56    57    55.00000  108.50000
   54    47    48    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    68    63.00000  111.10000
   61    54    55    80.00000  120.40000
   61    68    69    37.50000  110.70000
   61    68    70    70.00000  112.02700
   61    68    71    50.00000  109.50000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    70    38    65.00000  117.92700
   68    70    73    70.00000  124.00000
   68    71    72    55.00000  108.50000
   70    68    69    35.00000  109.50000
   70    38    39    35.00000  109.50000
   70    38    40    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    75    70.00000  124.00000
   38    33    37    70.00000  112.02700
   38    33    52    63.00000  111.10000
   40    38    39    33.00000  107.80000
   73    70    38    70.00000  124.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    35.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    90.00000  110.39200
   56    47    48    35.00000  109.50000
   56    47    54    90.00000  109.61100
   49    42    43    37.50000  110.70000
   49    42    47    58.35000  112.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    52    44   0.40000  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    70   0.56750  1.0 1.0
   29    33    38    70  -0.07550 -1.0 2.0
   29    33    38    70   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37   -41    44   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    47   0.46850  1.0 1.0
   33    37    42    47   0.08550 -1.0 2.0
   33    37    42    47   0.09800  1.0 3.0
   33    37    42    49   0.46850  1.0 1.0
   33    37    42    49   0.08550 -1.0 2.0
   33    37    42    49   0.09800  1.0 3.0
   37    33   -52    44   0.40000  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    70   0.31000  1.0 1.0
   37    33    38    70   0.14700 -1.0 2.0
   37    33    38    70   0.07550  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41   -44    52  -1.93650  1.0 1.0
   37    41   -44    52   2.17750 -1.0 2.0
   37    41   -44    52  -0.40250  1.0 3.0
   37    41    45    46  -0.66100  1.0 1.0
   37    41    45    46   1.20850 -1.0 2.0
   37    41    45    46  -0.36000  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    54  -0.98800  1.0 1.0
   37    42    47    54   0.48800 -1.0 2.0
   37    42    47    54   0.76800  1.0 3.0
   37    42    47    56   1.05650  1.0 1.0
   37    42    47    56   0.15600 -1.0 2.0
   37    42    47    56   0.53150  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    58   0.34400  1.0 1.0
   37    42    49    58   0.09450 -1.0 2.0
   37    42    49    58   0.11100  1.0 3.0
   41    37    42    43   0.00000  1.0 1.0
   41    37    42    47   0.09850  1.0 1.0
   41    37    42    47   0.15250 -1.0 2.0
   41    37    42    47  -0.50650  1.0 3.0
   41    37    42    49   0.09850  1.0 1.0
   41    37    42    49   0.15250 -1.0 2.0
   41    37    42    49  -0.50650  1.0 3.0
   41    44   -52    33   0.82650  1.0 1.0
   41    44   -52    33   1.69000 -1.0 2.0
   41    44    52    53   3.00000 -1.0 2.0
   44    41    45    46   2.00000 -1.0 2.0
   52    33   -37    41  -0.51250  1.0 1.0
   52    33   -37    41  -0.88800 -1.0 2.0
   52    33   -37    41   0.08850  1.0 3.0
   52    33    37    42   0.17250  1.0 1.0
   52    33    37    42  -0.04100 -1.0 2.0
   52    33    37    42  -0.33850  1.0 3.0
   52    33    38    70  -0.98800  1.0 1.0
   52    33    38    70   0.48800 -1.0 2.0
   52    33    38    70   0.76800  1.0 3.0
   52    33    38    39  -0.11250  1.0 3.0
   52    33    38    40  -0.11250  1.0 3.0
   45    41    44    52   2.00000 -1.0 2.0
   42    37    41    44   7.00000 -1.0 2.0
   42    37    41    45   7.00000 -1.0 2.0
   42    47    54    55   0.30150 -1.0 2.0
   42    47    54    61   0.60050  1.0 1.0
   42    47    54    61   0.05600 -1.0 2.0
   42    47    54    61   0.26150  1.0 3.0
   42    47    56    57  -0.11600  1.0 1.0
   42    47    56    57  -0.09450 -1.0 2.0
   42    47    56    57   0.21250  1.0 3.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    60   0.15000  1.0 3.0
   42    49    58    64   0.56750  1.0 1.0
   42    49    58    64  -0.07550 -1.0 2.0
   42    49    58    64   0.20000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    54  -0.11250  1.0 3.0
   43    42    47    56   0.23400  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   47    42    49    50   0.15000  1.0 3.0
   47    42    49    51   0.15000  1.0 3.0
   47    42    49    58   0.56750  1.0 1.0
   47    42    49    58  -0.07550 -1.0 2.0
   47    42    49    58   0.20000  1.0 3.0
   47    54    61    62   0.00000  1.0 1.0
   47    54    61    63   0.00000  1.0 1.0
   47    54    61    68   0.60050  1.0 1.0
   47    54    61    68   0.05600 -1.0 2.0
   47    54    61    68   0.26150  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    61   0.00000  1.0 1.0
   48    47    56    57   0.19450  1.0 3.0
   54    47    56    57   0.91850  1.0 1.0
   54    47    56    57   0.57950  1.0 3.0
   54    61    68    69  -0.11250  1.0 3.0
   54    61    68    70  -0.98800  1.0 1.0
   54    61    68    70   0.48800 -1.0 2.0
   54    61    68    70   0.76800  1.0 3.0
   54    61    68    71  -0.09450  1.0 1.0
   54    61    68    71  -1.12950 -1.0 2.0
   54    61    68    71   0.54000  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    63   0.00000  1.0 1.0
   55    54    61    68   0.30150 -1.0 2.0
   61    68    70    38   0.46850  1.0 1.0
   61    68    70    38   0.08550 -1.0 2.0
   61    68    70    38   0.09800  1.0 3.0
   61    68    70    73   0.09850  1.0 1.0
   61    68    70    73   0.15250 -1.0 2.0
   61    68    70    73  -0.50650  1.0 3.0
   61    68    71    72  -0.11600  1.0 1.0
   61    68    71    72  -0.09450 -1.0 2.0
   61    68    71    72   0.21250  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.23400  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71   0.23400  1.0 3.0
   68    70    38    33   0.46850  1.0 1.0
   68    70    38    33   0.08550 -1.0 2.0
   68    70    38    33   0.09800  1.0 3.0
   68    70    38    39   0.34800  1.0 3.0
   68    70    38    40   0.34800  1.0 3.0
   68    70    73    74   7.00000 -1.0 2.0
   68    70    73    75   7.00000 -1.0 2.0
   69    68    70    38   0.34800  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   69    68    71    72   0.19450  1.0 3.0
   70    68    71    72  -0.07800  1.0 1.0
   70    68    71    72  -0.21500 -1.0 2.0
   70    68    71    72  -0.03150  1.0 3.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    52    44   0.36750  1.0 3.0
   38    33    52    53   0.30150 -1.0 2.0
   38    70    73    74   7.00000 -1.0 2.0
   38    70    73    75   7.00000 -1.0 2.0
   73    70    38    33   0.09850  1.0 1.0
   73    70    38    33   0.15250 -1.0 2.0
   73    70    38    33  -0.50650  1.0 3.0
   73    70    38    39   0.00000  1.0 1.0
   73    70    38    40   0.00000  1.0 1.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   74    73    75    78   0.33100  1.0 3.0
   71    68    70    38   0.18000  1.0 1.0
   71    68    70    38   0.16450 -1.0 2.0
   71    68    70    38   0.04450  1.0 3.0
   71    68    70    73   0.67800  1.0 1.0
   71    68    70    73   0.47050 -1.0 2.0
   71    68    70    73  -0.62500  1.0 3.0
   56    47    54    55   0.30150 -1.0 2.0
   56    47    54    61   0.55300  1.0 1.0
   56    47    54    61   1.25850 -1.0 2.0
   56    47    54    61  -0.23600  1.0 3.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    54  -0.95700  1.0 1.0
   49    42    47    54  -0.18200 -1.0 2.0
   49    42    47    54   0.29450  1.0 3.0
   49    42    47    56   0.86500  1.0 1.0
   49    42    47    56  -0.17500 -1.0 2.0
   49    42    47    56   0.20800  1.0 3.0
   49    58    64    65   0.15000  1.0 3.0
   49    58    64    66   0.15000  1.0 3.0
   49    58    64    67   0.15000  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    64   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    64   0.15000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    67   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    41   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   33    44    52    53  10.50000 -1.0 2.0
   47    61    54    55  10.50000 -1.0 2.0
   68    38    70    73   1.10000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
END
