* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    227     430
    1     0 S   NP   _N1_     1    28.68719    97.28728   -22.90394
    2     1 S   H    _HN1     2     1.02951    68.50697    16.08474
    3     1 S   H    _H1_     3     1.02829    43.77316   166.23395
    4     1 S   H    _H2_     4     1.02782   101.12229   -89.43419
    5     1 S   CT   _CA1     5     1.50116   144.33815   111.44786
    6     5 S   HC   _HA1     6     1.09573   105.19676    96.38890
    7     5 S   CO3  _C1_     7     1.53788   112.45496   -23.82947
    8     7 S   O2Z  _O11     8     1.26369   115.00492   -42.55754
    9     7 S   O2Z  _O12     9     1.26242   114.94855   136.56515
   10     5 S   CT   _CB1    10     1.53086   107.41781  -145.64777
   11    10 S   HC   HB11    11     1.09832   109.36234   -49.90847
   12    10 S   HC   HB12    12     1.09813   110.44420    66.69376
   13    10 S   CT   _CG1    13     1.52985   112.61157  -170.90897
   14    13 S   HC   HG11    14     1.09587   110.58848   -65.41287
   15    13 S   HC   HG12    15     1.09670   109.82423    53.81655
   16    13 S   C    _CD1    16     1.51805   112.27301   174.24149
   17    16 S   O    _OE1    17     1.22727   123.30796     5.11163
   18    16 S   N    _N2_    18     1.38657   111.63428  -174.90161
   19    18 S   H    _HN2    19     1.01579   118.92820     1.82231
   20    18 S   CT1  _CA2    20     1.46203   123.41180   177.92105
   21    20 S   HC   _HA2    21     1.09736   109.37193     2.09462
   22    20 S   C    _C2_    22     1.53539   108.61555  -113.41764
   23    22 S   O    _O2_    23     1.23060   122.28414  -147.87182
   24    20 S   CT   _CB2    32     1.53368   111.54750   124.10864
   25    24 S   HC   HB21    33     1.09579   109.99156    56.22586
   26    24 S   HC   HB22    34     1.09427   109.98791   175.30347
   27    22 S   N    _N3_    24     1.38330   113.70502    39.57169
   28    27 S   H    _HN3    25     1.01592   119.58255    -3.35859
   29    24 S   S    _SG2    35     1.82778   111.43917   -64.77255
   30    27 S   CT   _CA3    26     1.45289   123.19198   177.11819
   31    30 S   HC   HA31    27     1.09550   107.51195   -64.39749
   32    30 S   HC   HA32    28     1.09558   107.97721    52.03234
   33    29 S   CT   _C6_    36     1.84005   100.02717   169.80926
   34    33 S   HC   _H4_    37     1.09691   106.95924   -44.67266
   35    30 S   CO3  _C3_    29     1.52954   114.09675   174.01866
   36    35 S   O2Z  _O31    30     1.26376   116.06648    -0.92873
   37    35 S   O2Z  _O32    31     1.26432   114.41105   179.13725
   38    33 S   CT   _C7_    38     1.52928   109.93613    72.16913
   39    38 S   HC   _H9_    39     1.09481   112.23596    56.67554
   40    38 S   HC   _H10    40     1.09463   111.58438   -64.58130
   41    38 S   HC   _H11    41     1.09510   110.34462   177.07230
   42    33 S   CT   _C5_    42     1.54795   112.79889  -162.10622
   43    42 S   HC   _H3_    43     1.09976   108.03007  -178.90264
   44    42 S   CO4  _C8_    44     1.52466   113.53148   -60.45139
   45    44 S   O    _O33    45     1.22289   124.42901    90.61101
   46    42 S   CT   _C4_    77     1.53290   112.87282    64.96076
   47    46 S   HC   _H6_    78     1.09471   112.40539   -65.95753
   48    46 S   HC   _H7_    79     1.09600   110.36027   174.68968
   49    46 S   HC   _H8_    80     1.09494   110.82435    55.31284
   50    44 S   OS   _O34    46     1.36215   109.33457   -89.71247
   51    50 S   CT   _C9_    47     1.45689   122.37940  -178.85090
   52    51 S   CT   _C12    48     1.56297   106.51051   179.19546
   53    52 S   HC   _H5_    49     1.09832   108.32033   176.59619
   54    51 S   CT   _C10    69     1.53678   110.48787   -61.67239
   55    54 S   HC   _H12    70     1.09475   111.64392    71.07536
   56    54 S   HC   _H13    71     1.09442   111.65881   -47.49169
   57    54 S   HC   _H14    72     1.09517   111.26818  -169.18047
   58    51 S   CT   _C11    73     1.53830   110.12810    60.78066
   59    58 S   HC   _H15    74     1.09455   111.80788   -70.97660
   60    58 S   HC   _H16    75     1.09550   111.27286    47.69184
   61    58 S   HC   _H17    76     1.09526   111.22211   169.14116
   62    52 S   CT   _C13    50     1.54463   115.25353    54.59591
   63    62 S   HC   _H18    51     1.09541   110.43151   136.92744
   64    62 S   HC   _H19    52     1.09156   113.99048    13.54964
   65    52 S   OS   _O37    61     1.45943   109.52300   -67.75399
   66    62 S   CA   _C14    53     1.47922   100.46668  -107.21660
   67    66 S   CA   _C15    54     1.38628   129.19638   171.50426
   68    67 S   HA   _H20    55     1.08569   120.35337    -1.65233
   69    67 S   CA   _C16    56     1.39892   118.24946   178.41427
   70    69 S   CA   _C20    57     1.40189   119.45082    -0.59512
   71    70 S   CA   _C21    58     1.39432   122.24345     0.07913
   72    71 S   HA   _H23    59     1.08360   121.62813  -179.91844
   73    70 S   OS   _O36    62     1.41125   120.43213  -179.86583
   74    66 S   CA   _C22    60     1.38494   109.57970   -10.51498
   75    73 S   CO4  _C19    63     1.39029   121.66710    -0.02798
   76    75 S   O    _O35    64     1.22604   122.06245  -179.91844
   77    75 S   CM   _C18    65     1.47416   116.85668     0.07662
   78    77 S   HC   _H22    66     1.08440   117.04332   179.93744
   79    69 S   CM   _C17    67     1.45367   121.86538   179.58082
   80    79 S   HC   _H21    68     1.08451   119.02911    -0.12033
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4
   6   8   9   4  10   9   5   2   6   1   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    54    58    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    62    65    54    55    56    57    58    59    60    61  
   52    53    62    63    64    66    74    65    54    55    56    57    58    59    60    61  
   53    62    63    64    66    67    71    74    65    54    55    56    57    58    59    60    61  
   62    63    64    66    74    65    54    58  
   55    56    57    58    59    60    61    62    65  
   56    57    58  
   57    58  
   58  
   59    60    61    62    65  
   60    61  
   61  
    0  
   63    64    66    67    68    69    71    74    65  
   64    66    67    74    65  
   66    67    74    65  
   66    67    70    71    72    74  
   67    68    69    70    71    72    74    79  
   68    69    70    71    74    73    77    79    80  
   69    70    74    79  
   70    71    72    74    73    75    77    78    79    80  
   71    72    74    73    75    76    77    79    80  
   72    74    73    75    79  
   74    73  
   75    76    77    78    79    74  
    0  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    67   469.000  1.400
   66    74   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    79   320.000  1.460
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    65   450.000  1.364
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    50.00000  109.50000
   50    51    54    50.00000  109.50000
   50    51    58    50.00000  109.50000
   51    52    53    37.50000  110.70000
   51    52    62    58.35000  112.70000
   51    52    65    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    66    70.00000  112.17500
   52    65    74    75.00000  111.00000
   62    52    53    37.50000  110.70000
   62    66    67    70.00000  120.00000
   62    66    74    70.00000  120.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    74    71    63.00000  120.00000
   66    74    65    70.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    79    60.00000  120.93500
   69    67    68    35.00000  120.00000
   69    70    71    63.00000  120.00000
   69    70    73    70.00000  120.00000
   69    79    77    60.00000  123.20500
   69    79    80    40.00000  117.26300
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    75    85.00000  115.98000
   71    74    65    70.00000  120.00000
   74    66    67    63.00000  120.00000
   74    71    72    35.00000  120.00000
   65    52    53    35.00000  109.50000
   65    52    62    50.00000  109.50000
   73    70    71    70.00000  120.00000
   73    75    76    83.00000  123.40000
   73    75    77    90.00000  111.29400
   75    77    78    40.00000  117.72500
   75    77    79    65.00000  118.96000
   77    75    76    80.00000  123.72100
   77    79    80    35.00000  120.00000
   79    69    70    60.00000  120.93500
   79    77    78    35.00000  120.00000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52  -0.25900  1.0 1.0
   44    50    51    52  -0.47000 -1.0 2.0
   44    50    51    52   0.11750  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   44    50    51    58  -0.25900  1.0 1.0
   44    50    51    58  -0.47000 -1.0 2.0
   44    50    51    58   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    52    53   0.23400  1.0 3.0
   50    51    52    62   0.62750  1.0 1.0
   50    51    52    62  -0.30950 -1.0 2.0
   50    51    52    62   0.27300  1.0 3.0
   50    51    52    65   1.11900  1.0 1.0
   50    51    52    65  -1.16350 -1.0 2.0
   50    51    52    65  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    57   0.23400  1.0 3.0
   50    51    58    59   0.23400  1.0 3.0
   50    51    58    60   0.23400  1.0 3.0
   50    51    58    61   0.23400  1.0 3.0
   51    52    62    63   0.15000  1.0 3.0
   51    52    62    64   0.15000  1.0 3.0
   51    52    62    66  -0.03700  1.0 1.0
   51    52    62    66   0.37200 -1.0 2.0
   51    52    62    66  -0.47300  1.0 3.0
   51    52    65    74  -0.32850  1.0 1.0
   51    52    65    74  -0.35800 -1.0 2.0
   51    52    65    74   0.33950  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   52    62    66    67   0.04150 -1.0 2.0
   52    62   -66    74   0.04150 -1.0 2.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    66   0.43200  1.0 3.0
   53    52    65    74   0.08050  1.0 3.0
   62    52   -65    74  -0.32850  1.0 1.0
   62    52   -65    74  -0.35800 -1.0 2.0
   62    52   -65    74   0.33950  1.0 3.0
   62    66    67    68   3.62500 -1.0 2.0
   62    66    67    69   3.62500 -1.0 2.0
   62    66    74    71   3.62500 -1.0 2.0
   62    66   -74    65   3.62500 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    74   0.00000  1.0 1.0
   64    62    66    67   0.00000  1.0 1.0
   64    62    66    74   0.00000  1.0 1.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    79   3.62500 -1.0 2.0
   66    74   -65    52   1.63200 -1.0 2.0
   67    66    74    71   3.62500 -1.0 2.0
   67    66    74    65   3.62500 -1.0 2.0
   67    69   -70    71   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    79    77   0.15800  1.0 1.0
   67    69    79    77   1.85350 -1.0 2.0
   67    69    79    77  -0.48700  1.0 3.0
   67    69    79    80   0.56550  1.0 3.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    79   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70    71    74   3.62500 -1.0 2.0
   69    70    73    75   0.01300  1.0 1.0
   69    70    73    75   0.97950 -1.0 2.0
   69    70    73    75  -0.55700  1.0 3.0
   70    69    79    77   0.15800  1.0 1.0
   70    69    79    77   1.85350 -1.0 2.0
   70    69    79    77  -0.48700  1.0 3.0
   70    69    79    80   0.56550  1.0 3.0
   70    71   -74    66   3.62500 -1.0 2.0
   70    71    74    65   3.62500 -1.0 2.0
   70    73    75    76   3.00000 -1.0 2.0
   70    73   -75    77   2.00000 -1.0 2.0
   71    70    73    75   0.01300  1.0 1.0
   71    70    73    75   0.97950 -1.0 2.0
   71    70    73    75  -0.55700  1.0 3.0
   71    74    65    52   1.63200 -1.0 2.0
   72    71    74    66   3.62500 -1.0 2.0
   72    71    74    65   3.62500 -1.0 2.0
   74    66    67    68   3.62500 -1.0 2.0
   74    66   -67    69   3.62500 -1.0 2.0
   65    52    62    63   0.23400  1.0 3.0
   65    52    62    64   0.23400  1.0 3.0
   65    52   -62    66  -0.64350  1.0 1.0
   65    52   -62    66  -0.04200 -1.0 2.0
   65    52   -62    66   0.19800  1.0 3.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   73    75    77    78   1.63100 -1.0 2.0
   73    75    77    79  -0.56150  1.0 1.0
   73    75    77    79   2.19150 -1.0 2.0
   75    77   -79    69   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   1.00000 -1.0 2.0
   78    77    79    69   7.00000 -1.0 2.0
   78    77    79    80   7.00000 -1.0 2.0
   79    69    70    71   3.62500 -1.0 2.0
   79    69   -70    73   3.62500 -1.0 2.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    62   0.56750  1.0 1.0
   54    51    52    62  -0.07550 -1.0 2.0
   54    51    52    62   0.20000  1.0 3.0
   54    51    52    65   0.62750  1.0 1.0
   54    51    52    65  -0.30950 -1.0 2.0
   54    51    52    65   0.27300  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    62   0.56750  1.0 1.0
   58    51    52    62  -0.07550 -1.0 2.0
   58    51    52    62   0.20000  1.0 3.0
   58    51    52    65   0.62750  1.0 1.0
   58    51    52    65  -0.30950 -1.0 2.0
   58    51    52    65   0.27300  1.0 3.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    56   0.15000  1.0 3.0
   58    51    54    57   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   67    74    66    62   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   70    79    69    67   4.00000 -1.0 2.0
   71    73    70    69   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    65    74    66   4.00000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
   75    78    77    79   1.10000 -1.0 2.0
   69    80    79    77   1.10000 -1.0 2.0
END
