* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    144    215     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   102.50180    13.26394
    3     1 S   H    _H1_     3     1.02103    40.67130   117.49636
    4     1 S   H    _H2_     4     1.02161    73.25535   -92.74987
    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   _C9_    36     1.84419    97.45641  -178.13912
   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   CT   _C10    37     1.55190   113.47851  -159.99309
   38    37 S   HC   _H3_    38     1.10087   107.24576  -169.90270
   39    33 S   CT   _C20    77     1.53527   107.22073    76.97711
   40    39 S   HC   _H17    78     1.08624   109.39775   -55.43615
   41    39 S   HC   _H18    79     1.08611   109.43604  -175.45964
   42    39 S   HC   _H19    80     1.08644   109.44739    64.46414
   43    37 S   CT   _C11    39     1.56160   113.26271    70.87634
   44    43 S   HC   _H4_    40     1.11448   109.17523   -80.40815
   45    37 S   CO4  _C18    70     1.50673   111.98039   -54.74096
   46    45 S   O    _O35    71     1.22313   124.08065  -116.26491
   47    43 S   CA   _C12    41     1.53024   109.37281   164.50143
   48    43 S   CM   _C7_    52     1.52754   112.39318    38.50977
   49    45 S   OS   _O36    72     1.36385   109.51094    63.75623
   50    47 S   CA   _C13    42     1.39505   117.98939   -62.60994
   51    50 S   HA   _H11    43     1.08680   120.64225    -0.07133
   52    48 S   CM   _C8_    53     1.35199   121.95082   -10.65135
   53    48 S   CO4  _C6_    60     1.47455   117.42996   172.83818
   54    53 S   O    _O34    61     1.21607   123.25523   -93.43406
   55    49 S   CT   _C19    73     1.43151   115.42001  -180.00000
   56    55 S   HC   _H14    74     1.09278   109.47170  -180.00000
   57    55 S   HC   _H15    75     1.09284   109.57339    59.19712
   58    55 S   HC   _H16    76     1.09211   108.93676   -60.49553
   59    50 S   CA   _C14    44     1.39517   120.00226   179.95577
   60    59 S   HA   _H12    45     1.08580   120.00460   180.00000
   61    33 S   NE   _N4_    54     1.45838   108.86233   -39.79253
   62    61 S   H    _H10    55     1.01632   117.60798    77.69877
   63    52 S   CT   _C21    56     1.50640   124.46421   176.73811
   64    63 S   HC   _H20    57     1.08535   109.17422    90.04325
   65    63 S   HC   _H21    58     1.08554   109.20585   -30.13998
   66    63 S   HC   _H22    59     1.08545   109.17368  -149.80263
   67    53 S   OS   _O33    62     1.35415   108.31440    86.57645
   68    59 S   CA   _C15    46     1.39490   119.99723    -0.04846
   69    68 S   HA   _H13    47     1.08676   119.03488  -179.96044
   70    67 S   CT   _C5_    63     1.43122   114.98669   180.00000
   71    70 S   HC   _H8_    64     1.09365   108.84529  -149.42314
   72    70 S   HC   _H9_    65     1.09403   108.79857   -30.60718
   73    68 S   CA   _C16    48     1.39509   119.99184     0.01978
   74    73 S   Cl   Cl2_    49     1.73007   117.54987  -180.00000
   75    70 S   CT   _C4_    66     1.51415   108.99506    89.99037
   76    75 S   HC   _H5_    67     1.09384   110.92507   -60.42685
   77    75 S   HC   _H6_    68     1.09564   110.60774    60.44177
   78    75 S   HC   _H7_    69     1.09501   110.62690   178.67382
   79    47 S   CA   _C17    50     1.39490   122.01004   117.29040
   80    79 S   Cl   Cl1_    51     1.73474   119.13614     0.00000
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  12  13
   4   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2
   1   1   7   5   3   6   5   4   3   2   3   2   1   1   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    61    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    61    62    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    61    62    63    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    79    48    52    61    62    53    45    46    49    55    39    40    41    42  
   43    44    47    48    61    45    46    49    39  
   40    41    42    43    45    52    61    62  
   41    42    61  
   42    61  
   61  
   44    47    50    51    59    73    79    80    48    52    61    63    53    54    67    45    46    49  
   47    50    79    48    52    53    45  
   46    49    55    56    57    58    47    48    61  
   49    55  
   50    51    59    60    68    73    74    79    80    48    52    53  
   52    61    62    63    64    65    66    53    54    67    70    50    79  
   55    56    57    58  
   51    59    60    68    69    73    79    80  
   59    60    68    79  
   61    62    63    64    65    66    53    54    67  
   54    67    70    71    72    75    61    63  
   67    70  
   56    57    58  
   57    58  
   58  
    0  
   60    68    69    73    74    79  
   68    69    73  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    0  
   70    71    72    75    76    77    78  
   69    73    74    79    80  
   73    74    79  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80  
   79    80  
   76    77    78  
   77    78  
   78  
    0  
   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   0.402800   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   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
   79   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   268.000  1.529
   33    61   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    79   469.000  1.400
   50    51   367.000  1.080
   50    59   469.000  1.400
   59    60   367.000  1.080
   59    68   469.000  1.400
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   300.000  1.725
   73    79   469.000  1.400
   79    80   300.000  1.725
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    61   425.000  1.378
   52    63   317.000  1.510
   61    62   434.000  1.010
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   53    54   570.000  1.229
   53    67   214.000  1.327
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    61    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    61    52    50.00000  121.00000
   33    61    62    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    79    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    59    63.00000  120.00000
   47    79    73    63.00000  120.00000
   47    79    80    75.00000  120.00000
   50    59    60    35.00000  120.00000
   50    59    68    63.00000  120.00000
   59    50    51    35.00000  120.00000
   59    68    69    35.00000  120.00000
   59    68    73    63.00000  120.00000
   68    59    60    35.00000  120.00000
   68    73    74    75.00000  120.00000
   68    73    79    63.00000  120.00000
   73    68    69    35.00000  120.00000
   73    79    80    75.00000  120.00000
   79    47    50    63.00000  120.00000
   79    73    74    75.00000  120.00000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    61    70.00000  124.03900
   48    52    63    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    67    90.00000  111.29400
   52    61    62    35.00000  114.50000
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   52    63    66    35.00000  109.50000
   61    33    37    80.00000  111.61500
   63    52    61    75.00000  116.24600
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    67    70    83.00000  116.90000
   67    53    54    83.00000  123.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    75    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    61    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    61    52  -0.12500  1.0 1.0
   29    33    61    52  -0.12500 -1.0 2.0
   29    33    61    52   0.25000  1.0 3.0
   29    33    61    62  -0.12500  1.0 1.0
   29    33    61    62  -0.12500 -1.0 2.0
   29    33    61    62   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    61    52   0.25450  1.0 1.0
   37    33    61    52  -0.61700 -1.0 2.0
   37    33    61    52  -0.23550  1.0 3.0
   37    33    61    62   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    79   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    59   3.62500 -1.0 2.0
   43    47    79    73   3.62500 -1.0 2.0
   43    47    79    80   3.62500 -1.0 2.0
   43    48    52    61   7.00000 -1.0 2.0
   43    48    52    63   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    67  -0.15000  1.0 1.0
   43    48    53    67   0.89550 -1.0 2.0
   43    48    53    67  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    79   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    59    60   3.62500 -1.0 2.0
   47    50    59    68   3.62500 -1.0 2.0
   50    47    79    73   3.62500 -1.0 2.0
   50    47    79    80   3.62500 -1.0 2.0
   50    59    68    69   3.62500 -1.0 2.0
   50    59   -68    73   3.62500 -1.0 2.0
   51    50    59    60   3.62500 -1.0 2.0
   51    50    59    68   3.62500 -1.0 2.0
   59    68    73    74   3.62500 -1.0 2.0
   59    68    73    79   3.62500 -1.0 2.0
   60    59    68    69   3.62500 -1.0 2.0
   60    59    68    73   3.62500 -1.0 2.0
   68    73   -79    47   3.62500 -1.0 2.0
   68    73    79    80   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   69    68    73    79   3.62500 -1.0 2.0
   74    73    79    47   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   79    47    50    51   3.62500 -1.0 2.0
   79    47   -50    59   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    79   0.18050 -1.0 2.0
   48    52   -61    33  -0.54700  1.0 1.0
   48    52   -61    33   1.23000 -1.0 2.0
   48    52    61    62   1.00000 -1.0 2.0
   48    52    63    64   0.00000  1.0 1.0
   48    52    63    65   0.00000  1.0 1.0
   48    52    63    66   0.00000  1.0 1.0
   48    53    67    70   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    67  -0.56150  1.0 1.0
   52    48    53    67   2.19150 -1.0 2.0
   61    33    37    38   0.22950  1.0 3.0
   61    33   -37    43   1.26750  1.0 1.0
   61    33   -37    43  -0.00950 -1.0 2.0
   61    33   -37    43   0.30600  1.0 3.0
   61    33    37    45  -2.10200  1.0 1.0
   61    33    37    45  -0.31600 -1.0 2.0
   61    33    37    45   0.13050  1.0 3.0
   61    33    39    40   0.22950  1.0 3.0
   61    33    39    41   0.22950  1.0 3.0
   61    33    39    42   0.22950  1.0 3.0
   61    52    63    64  -0.18050  1.0 3.0
   61    52    63    65  -0.18050  1.0 3.0
   61    52    63    66  -0.18050  1.0 3.0
   63    52    61    33   1.00000 -1.0 2.0
   63    52    61    62   2.40850 -1.0 2.0
   53    48    52    61   7.00000 -1.0 2.0
   53    48    52    63   7.00000 -1.0 2.0
   53    67    70    71   0.08050  1.0 3.0
   53    67    70    72   0.08050  1.0 3.0
   53    67    70    75  -0.25900  1.0 1.0
   53    67    70    75  -0.47000 -1.0 2.0
   53    67    70    75   0.11750  1.0 3.0
   54    53    67    70   3.00000 -1.0 2.0
   67    70    75    76   0.23400  1.0 3.0
   67    70    75    77   0.23400  1.0 3.0
   67    70    75    78   0.23400  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    58   0.08050  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    61    52   0.25450  1.0 1.0
   39    33    61    52  -0.61700 -1.0 2.0
   39    33    61    52  -0.23550  1.0 3.0
   39    33    61    62   0.00000  1.0 1.0
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
   50    79    47    43   4.00000 -1.0 2.0
   59    51    50    47   1.10000 -1.0 2.0
   68    60    59    50   1.10000 -1.0 2.0
   73    69    68    59   1.10000 -1.0 2.0
   79    74    73    68   4.00000 -1.0 2.0
   73    80    79    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   63    61    52    48   1.10000 -1.0 2.0
   62    52    61    33   1.00000 -1.0 2.0
   48    67    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
