* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    227     433
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02126    59.35228  -111.20247
    3     1 S   H    _H1_     3     1.02102   106.51587    -8.94081
    4     1 S   H    _H2_     4     1.02081    52.81302    92.28598
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08640   109.89279   178.97703
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.80681    98.61031  -178.16752
   34    33 S   HC   _H22    37     1.09280   109.30222    60.68454
   35    33 S   HC   _H23    38     1.09264   109.46121   179.03876
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   39    33 S   CM   _C20    39     1.49061   110.00087   -60.01196
   40    39 S   CM   _C21    40     1.33990   127.19402   120.36051
   41    40 S   OS   _O37    41     1.39117   115.21926  -171.77407
   42    40 S   OH   _O38    80     1.37178   125.88434     5.16479
   43    42 S   HO   _H21    81     0.96647   110.44291   179.95154
   44    41 S   CT   _C7_    42     1.43776   103.26314   -15.50554
   45    44 S   HC   _H3_    43     1.09175   107.50661   -92.91841
   46    44 S   CM   _C6_    44     1.50010   109.08987   146.18010
   47    46 S   HC   _H10    45     1.09336   114.39690   -74.59903
   48    39 S   CT   _C8_    63     1.50593   123.32628   -49.50992
   49    48 S   HC   _H4_    64     1.10536   105.97776    72.04599
   50    46 S   CM   _C5_    46     1.34835   126.39928   118.19405
   51    50 S   CT   _C14    47     1.52809   118.67087   154.57736
   52    51 S   HC   _H14    48     1.09793   109.84005    44.63917
   53    51 S   HC   _H15    49     1.09708   108.99717   161.15620
   54    50 S   CT   _C4_    76     1.50329   124.67469   -17.53724
   55    54 S   HC   _H7_    77     1.08627   109.30983    89.95143
   56    54 S   HC   _H8_    78     1.08664   109.26275   -30.16535
   57    54 S   HC   _H9_    79     1.08655   109.30185  -149.81389
   58    51 S   CT   _C13    50     1.55572   112.19765   -77.76535
   59    58 S   HC   _H6_    51     1.09497   111.01104   179.09259
   60    58 S   CM   _C12    52     1.48525   112.95109    53.18804
   61    60 S   HC   _H13    53     1.08160   123.61303    64.86330
   62    60 S   CM   _C11    54     1.33194   110.61908  -103.11540
   63    62 S   CO4  _C15    55     1.46972   106.29863   -12.15807
   64    63 S   O    _O34    56     1.21892   125.74010  -175.42166
   65    62 S   CT   _C10    58     1.48448   129.44514   165.02923
   66    65 S   HC   _H11    59     1.09078   110.17646    19.06946
   67    65 S   HC   _H12    60     1.09145   108.30559   133.93172
   68    58 S   OS   _O33    57     1.43587   109.65489   -61.00579
   69    65 S   CT   _C9_    61     1.55409   114.54911  -103.97961
   70    69 S   HC   _H5_    62     1.09839   108.99104   -49.86938
   71    69 S   OS   _O35    65     1.42863   104.78855  -164.28380
   72    71 S   CO4  _C16    66     1.36150   115.69842    85.73277
   73    72 S   O    _O36    67     1.22247   125.87888     0.02798
   74    72 S   CM   _C17    68     1.48936   109.58152  -179.98022
   75    74 S   CM   _C18    69     1.34126   117.34380  -150.04878
   76    75 S   HC   _H16    70     1.08534   120.85425   179.96574
   77    75 S   HC   _H17    71     1.08497   122.61177     0.08393
   78    74 S   CT   _C19    72     1.49799   120.32115    29.96713
   79    78 S   HC   _H18    73     1.09474   110.60480   -89.99850
   80    78 S   HC   _H19    74     1.09536   110.59193    30.51536
   81    78 S   HC   _H20    75     1.09576   111.93839   150.22105
  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  13   6   5   4   2   1   1   8   5   9   4   9   6   2
   7   4   3   1   5   2   5   9   3   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    69    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    44    45    46    65    69    70    48    49    71    42    43  
   41    44    45    46    69    48    49    42    43  
   44    45    46    47    50    69    48    49    42    43  
   43    44    48  
    0  
   45    46    47    50    51    65    69    70    48    49    71    54  
   46    47    50    69    48    49  
   47    50    51    52    53    58    69    48    49    54    55    56    57  
   50    51    48    54  
   49    71    72    50    62    65    66    67    69    70  
   71    65    69    70  
   51    52    53    58    59    60    68    54    55    56    57  
   52    53    58    59    60    61    62    63    68    54    55    56    57  
   53    58    59    60    68    54  
   58    59    60    68    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    68    65  
   60    61    62    63    68  
   61    62    63    64    68    65    66    67    69  
   62    63    68    65  
   63    64    68    65    66    67    69    70    71  
   64    68    65    66    67    69  
   68    65  
   66    67    69    70    71    72    68  
   67    69    70    71  
   69    70    71  
    0  
   70    71    72    73    74  
   71    72  
   72    73    74    75    78  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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    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   317.000  1.510
   58    68   320.000  1.410
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   320.000  1.462
   62    65   317.000  1.510
   63    64   570.000  1.229
   63    68   214.000  1.327
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    48   268.000  1.529
   69    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    69    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    69    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    70.00000  112.02700
   51    58    68    50.00000  109.50000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    35.00000  117.00000
   58    60    62    70.00000  124.00000
   58    68    63    83.00000  116.90000
   60    58    59    35.00000  109.50000
   60    62    63    65.00000  118.96000
   60    62    65    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    80.00000  123.72100
   62    63    68    90.00000  111.29400
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    69    70.00000  112.02700
   68    58    59    35.00000  109.50000
   68    58    60    85.00000  110.90400
   68    63    64    83.00000  123.40000
   65    62    63    65.00000  116.34900
   65    69    70    37.50000  110.70000
   65    69    48    58.35000  112.70000
   65    69    71    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    48    49    37.50000  110.70000
   69    71    72    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    69    70    37.50000  110.70000
   71    69    70    35.00000  109.50000
   71    69    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    69   0.46850  1.0 1.0
   33    39    48    69   0.08550 -1.0 2.0
   33    39    48    69   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    69   0.09850  1.0 1.0
   40    39    48    69   0.15250 -1.0 2.0
   40    39    48    69  -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    69   0.62750  1.0 1.0
   41    44    48    69  -0.30950 -1.0 2.0
   41    44    48    69   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    69   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    69   0.34400  1.0 1.0
   46    44    48    69   0.09450 -1.0 2.0
   46    44    48    69   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   0.31000  1.0 1.0
   50    51    58    60   0.14700 -1.0 2.0
   50    51    58    60   0.07550  1.0 3.0
   50    51    58    68   0.61850  1.0 1.0
   50    51    58    68  -0.22750 -1.0 2.0
   50    51    58    68   0.15300  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    60    61   0.00000  1.0 1.0
   51    58    60    62   0.09850  1.0 1.0
   51    58    60    62   0.15250 -1.0 2.0
   51    58    60    62  -0.50650  1.0 3.0
   51    58    68    63  -0.25900  1.0 1.0
   51    58    68    63  -0.47000 -1.0 2.0
   51    58    68    63   0.11750  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    68   0.23400  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    68   0.23400  1.0 3.0
   58    60   -62    63   7.00000 -1.0 2.0
   58    60    62    65   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    68    63   0.08050  1.0 3.0
   60    58   -68    63  -0.82050  1.0 1.0
   60    58   -68    63   0.00600 -1.0 2.0
   60    58   -68    63   0.04400  1.0 3.0
   60    62    63    64   1.00000 -1.0 2.0
   60    62   -63    68  -0.56150  1.0 1.0
   60    62   -63    68   2.19150 -1.0 2.0
   60    62    65    66   0.00000  1.0 1.0
   60    62    65    67   0.00000  1.0 1.0
   60    62    65    69   0.09850  1.0 1.0
   60    62    65    69   0.15250 -1.0 2.0
   60    62    65    69  -0.50650  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    65   7.00000 -1.0 2.0
   62    63   -68    58   2.00000 -1.0 2.0
   62    65    69    70   0.15000  1.0 3.0
   62    65    69    48   0.34400  1.0 1.0
   62    65    69    48   0.09450 -1.0 2.0
   62    65    69    48   0.11100  1.0 3.0
   62    65    69    71   0.61850  1.0 1.0
   62    65    69    71  -0.22750 -1.0 2.0
   62    65    69    71   0.15300  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    69   0.09700  1.0 1.0
   63    62    65    69   0.15600 -1.0 2.0
   63    62    65    69  -0.50800  1.0 3.0
   64    63    68    58   3.00000 -1.0 2.0
   68    58    60    61   0.00000  1.0 1.0
   68    58   -60    62   0.39000  1.0 1.0
   68    58   -60    62  -0.05800 -1.0 2.0
   68    58   -60    62  -0.55150  1.0 3.0
   65    62    63    64  -0.64400  1.0 1.0
   65    62    63    64   0.26850 -1.0 2.0
   65    62    63    68  -0.15000  1.0 1.0
   65    62    63    68   0.89550 -1.0 2.0
   65    62    63    68  -0.06900  1.0 3.0
   65    69    48    39   0.34400  1.0 1.0
   65    69    48    39   0.09450 -1.0 2.0
   65    69    48    39   0.11100  1.0 3.0
   65    69    48    44   0.56750  1.0 1.0
   65    69    48    44  -0.07550 -1.0 2.0
   65    69    48    44   0.20000  1.0 3.0
   65    69    48    49   0.15000  1.0 3.0
   65    69    71    72  -0.25900  1.0 1.0
   65    69    71    72  -0.47000 -1.0 2.0
   65    69    71    72   0.11750  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    48   0.15000  1.0 3.0
   66    65    69    71   0.23400  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    48   0.15000  1.0 3.0
   67    65    69    71   0.23400  1.0 3.0
   69    71    72    73   3.00000 -1.0 2.0
   69    71    72    74   2.00000 -1.0 2.0
   70    69    48    39   0.15000  1.0 3.0
   70    69    48    44   0.15000  1.0 3.0
   70    69    48    49   0.15000  1.0 3.0
   70    69    71    72   0.08050  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    69    71    72  -0.25900  1.0 1.0
   48    69    71    72  -0.47000 -1.0 2.0
   48    69    71    72   0.11750  1.0 3.0
   71    69    48    39   0.61850  1.0 1.0
   71    69    48    39  -0.22750 -1.0 2.0
   71    69    48    39   0.15300  1.0 3.0
   71    69    48    44   0.62750  1.0 1.0
   71    69    48    44  -0.30950 -1.0 2.0
   71    69    48    44   0.27300  1.0 3.0
   71    69    48    49   0.23400  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    78  -0.15000  1.0 1.0
   71    72    74    78   0.89550 -1.0 2.0
   71    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   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    61    60    62   1.10000 -1.0 2.0
   63    65    62    60   1.10000 -1.0 2.0
   62    68    63    64  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
