* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    231     437
    1     0 S   NP   _N1_     1    28.80597    96.05790   -23.55328
    2     1 S   H    _HN1     2     1.02945    75.26601     0.70443
    3     1 S   H    _H1_     3     1.02824    34.37839   158.24128
    4     1 S   H    _H2_     4     1.02790   106.77111  -104.41866
    5     1 S   CT   _CA1     5     1.50136   135.66123   104.99411
    6     5 S   HC   _HA1     6     1.09570   105.19024    88.28933
    7     5 S   CO3  _C1_     7     1.53821   112.29084   -31.97093
    8     7 S   O2Z  _O11     8     1.26388   114.99833   -45.34659
    9     7 S   O2Z  _O12     9     1.26222   114.98529   133.54602
   10     5 S   CT   _CB1    10     1.53068   107.37129  -153.72345
   11    10 S   HC   HB11    11     1.09838   109.52097   -48.67485
   12    10 S   HC   HB12    12     1.09807   110.44024    67.98679
   13    10 S   CT   _CG1    13     1.52972   112.50844  -169.53375
   14    13 S   HC   HG11    14     1.09564   110.62997   -64.81421
   15    13 S   HC   HG12    15     1.09651   109.68880    54.46126
   16    13 S   C    _CD1    16     1.51774   112.06473   175.12942
   17    16 S   O    _OE1    17     1.22769   123.13225    12.09786
   18    16 S   N    _N2_    18     1.38650   111.92846  -168.36932
   19    18 S   H    _HN2    19     1.01633   118.87619     2.03105
   20    18 S   CT1  _CA2    20     1.46156   123.29813   178.99051
   21    20 S   HC   _HA2    21     1.09742   109.09971     7.06055
   22    20 S   C    _C2_    22     1.53578   108.97768  -108.54649
   23    22 S   O    _O2_    23     1.23091   122.16633  -147.83553
   24    20 S   CT   _CB2    32     1.53581   112.09304   128.70056
   25    24 S   HC   HB21    33     1.09446   110.15212    62.73243
   26    24 S   HC   HB22    34     1.09444   109.11433  -179.00692
   27    22 S   N    _N3_    24     1.38303   113.89151    39.62135
   28    27 S   H    _HN3    25     1.01564   119.64963    -3.50989
   29    24 S   S    _SG2    35     1.82997   111.46294   -59.40203
   30    27 S   CT   _CA3    26     1.45292   123.16831   177.04932
   31    30 S   HC   HA31    27     1.09553   107.54959   -63.05333
   32    30 S   HC   HA32    28     1.09557   107.91838    53.35296
   33    29 S   CT   _C17    36     1.84796   101.58551   170.51765
   34    30 S   CO3  _C3_    29     1.52957   114.14128   175.29772
   35    34 S   O2Z  _O31    30     1.26370   116.09702    -1.31982
   36    34 S   O2Z  _O32    31     1.26435   114.40854   178.72989
   37    33 S   CT   _C12    37     1.56667   118.87415   -63.23822
   38    37 S   HC   _H30    38     1.09783   107.58135    89.92927
   39    33 S   CT   _C20    75     1.55153   107.02041    62.51209
   40    39 S   HC   _H41    76     1.09633   112.12912    50.38973
   41    39 S   HC   _H42    77     1.09522   111.56895   -70.92781
   42    39 S   HC   _H43    78     1.09531   112.17289   170.44955
   43    37 S   CM   _C4_    39     1.53380   101.90009  -153.79117
   44    37 S   CT   _C14    52     1.54841   121.22587   -36.06200
   45    44 S   HC   _H32    53     1.10108   109.58424   -74.29023
   46    43 S   CM   _C5_    40     1.34731   124.97311  -166.21350
   47    43 S   CT   _C10    68     1.50698   110.34814    17.73616
   48    47 S   HC   _H26    69     1.09527   112.35679   126.50893
   49    47 S   HC   _H27    70     1.09580   111.13868  -112.22146
   50    46 S   CT   _C11    41     1.50691   121.61489    -0.05935
   51    50 S   HC   _H28    42     1.09839   110.09949    58.21358
   52    50 S   HC   _H29    43     1.09800   109.19921   171.50766
   53    46 S   CT   _C18    64     1.50545   123.63168  -178.94612
   54    53 S   HC   _H35    65     1.09508   110.03878   118.08681
   55    53 S   HC   _H36    66     1.09312   113.38764    -2.51785
   56    53 S   HC   _H37    67     1.09525   110.04935  -122.45036
   57    33 S   CT   _C15    71     1.54653   107.55968  -178.27751
   58    57 S   HC   _H33    72     1.09857   111.29370    49.71483
   59    50 S   CT   _C16    44     1.54048   113.68484   -66.11679
   60    59 S   HC   _H34    45     1.09808   111.17350   -47.41287
   61    57 S   OH   _O21    73     1.41964   112.76691   -72.46886
   62    61 S   HO   _H44    74     0.97243   107.49763  -177.48557
   63    59 S   CT   _C13    46     1.53721   112.17513    76.05113
   64    63 S   HC   _H31    47     1.10133   108.09851    61.24024
   65    59 S   OS   _O22    57     1.45217   106.56860  -166.94491
   66    63 S   CM   _C6_    48     1.49699   118.61910  -179.04182
   67    65 S   CO4  _C9_    58     1.36359   117.33060    86.10122
   68    67 S   O    _O19    59     1.22303   126.34557    -0.24228
   69    66 S   CO4  _C7_    49     1.47955   106.60946   159.06651
   70    69 S   O    _O18    50     1.21649   127.49304   162.27743
   71    66 S   CM   _C8_    54     1.33513   132.43075   -18.30044
   72    71 S   HC   _H24    55     1.08294   121.90621    -1.26067
   73    71 S   HC   _H25    56     1.08585   121.37497   178.49364
   74    67 S   CT   _C19    60     1.49822   109.50283   179.76427
   75    74 S   HC   _H38    61     1.09292   109.82131   -60.81301
   76    74 S   HC   _H39    62     1.09377   109.36087  -179.84677
   77    74 S   HC   _H40    63     1.09288   109.82563    61.09592
   78    69 S   OS   _O20    51     1.36472   106.40872   -15.47267
  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  13   5   4   3
  19   2   1   1  23   9   9   3   2   1  19  15   6  15   8   4
   3  13   6   5   4   2   1   1   3   2  11   5   1   1  10   5
   7   6   5   4   5   2   3   1   1   3   2   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    57    58    61    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    63    78    44    45    47    48    49    57    58    61    62    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    59    63    64    66    69    78    44    45    53    47    48    49    57    58    61    39    40    41    42  
   43    46    63    78    44    45    47    57    39  
   40    41    42    43    44    47    57    58    61  
   41    42    57  
   42    57  
   57  
   46    50    51    52    59    63    78    44    45    53    54    55    56    47    48    49    57    58    61  
   45    71    65    47    57    46    50    59    60    63    64    66    69    70    78  
   59    63    64    66    69    78  
   50    51    52    59    60    63    65    53    54    55    56    47    48    49    57  
   48    49    57    58    61    62    50    53  
   49    57    58    61  
   57    58    61  
   51    52    59    60    63    64    66    65    67    53    54    55    56  
   52    59    60    63    65    53  
   59    60    63    65    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    61    62  
   61    62  
   60    63    64    66    69    78    71    65    67    68    74  
   63    64    66    65    67  
   62  
    0  
   64    66    69    70    78    71    72    73    65    67  
   66    69    78    71    65  
   67    68    74    75    76    77    66  
   69    70    78    71    72    73  
   68    74    75    76    77  
   74    75    76    77  
   70    78    71    72    73  
   78    71  
   72    73    78  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    44   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    78   214.000  1.327
   78    44   320.000  1.410
   44    45   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   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    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    57    47    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    63    58.35000  112.70000
   37    44    78    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    57    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    59    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    35.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    63    58.35000  112.70000
   50    59    65    50.00000  109.50000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    66    70.00000  112.02700
   59    63    44    58.35000  112.70000
   59    65    67    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    44    78    50.00000  109.50000
   63    44    45    37.50000  110.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    78    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    78    44    83.00000  116.90000
   78    69    70    83.00000  123.40000
   78    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    63    64    37.50000  110.70000
   44    63    66    70.00000  112.02700
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    81.00000  111.40000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   74    67    68    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   53    46    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    43    46    70.00000  124.00000
   47    57    58    37.50000  110.70000
   47    57    61    50.00000  109.50000
   49    47    48    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    61    62    55.00000  108.50000
   61    57    58    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    57    58.35000  112.70000
   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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    57    47   0.44750  1.0 1.0
   29    33    57    47  -0.17800 -1.0 2.0
   29    33    57    47   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   0.20000  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    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    63   0.56750  1.0 1.0
   33    37    44    63  -0.07550 -1.0 2.0
   33    37    44    63   0.20000  1.0 3.0
   33    37    44    78   0.62750  1.0 1.0
   33    37    44    78  -0.30950 -1.0 2.0
   33    37    44    78   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    57    61    62  -0.11600  1.0 1.0
   33    57    61    62  -0.09450 -1.0 2.0
   33    57    61    62   0.21250  1.0 3.0
   37    33   -57    47   0.56750  1.0 1.0
   37    33   -57    47  -0.07550 -1.0 2.0
   37    33   -57    47   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61   0.86500  1.0 1.0
   37    33    57    61  -0.17500 -1.0 2.0
   37    33    57    61   0.20800  1.0 3.0
   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    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    57   0.46850  1.0 1.0
   37    43   -47    57   0.08550 -1.0 2.0
   37    43   -47    57   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    63   0.15000  1.0 3.0
   38    37    44    78   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    63   0.34400  1.0 1.0
   43    37    44    63   0.09450 -1.0 2.0
   43    37    44    63   0.11100  1.0 3.0
   43    37    44    78   0.61850  1.0 1.0
   43    37    44    78  -0.22750 -1.0 2.0
   43    37    44    78   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    59   0.09850  1.0 1.0
   43    46    50    59   0.15250 -1.0 2.0
   43    46    50    59  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    56   0.00000  1.0 1.0
   43    47   -57    33   0.34400  1.0 1.0
   43    47   -57    33   0.09450 -1.0 2.0
   43    47   -57    33   0.11100  1.0 3.0
   43    47    57    58   0.15000  1.0 3.0
   43    47    57    61   1.05650  1.0 1.0
   43    47    57    61   0.15600 -1.0 2.0
   43    47    57    61   0.53150  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    57   0.09850  1.0 1.0
   46    43    47    57   0.15250 -1.0 2.0
   46    43    47    57  -0.50650  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    63   0.34400  1.0 1.0
   46    50    59    63   0.09450 -1.0 2.0
   46    50    59    63   0.11100  1.0 3.0
   46    50    59    65   0.61850  1.0 1.0
   46    50    59    65  -0.22750 -1.0 2.0
   46    50    59    65   0.15300  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    56   0.34800  1.0 3.0
   50    59    63    64   0.15000  1.0 3.0
   50    59    63    66   0.34400  1.0 1.0
   50    59    63    66   0.09450 -1.0 2.0
   50    59    63    66   0.11100  1.0 3.0
   50    59    63    44   0.56750  1.0 1.0
   50    59    63    44  -0.07550 -1.0 2.0
   50    59    63    44   0.20000  1.0 3.0
   50    59    65    67  -0.25900  1.0 1.0
   50    59    65    67  -0.47000 -1.0 2.0
   50    59    65    67   0.11750  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.15000  1.0 3.0
   51    50    59    65   0.23400  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.15000  1.0 3.0
   52    50    59    65   0.23400  1.0 3.0
   59    63    66    69   0.09700  1.0 1.0
   59    63    66    69   0.15600 -1.0 2.0
   59    63    66    69  -0.50800  1.0 3.0
   59    63    66    71   0.09850  1.0 1.0
   59    63    66    71   0.15250 -1.0 2.0
   59    63    66    71  -0.50650  1.0 3.0
   59    63    44    37   0.56750  1.0 1.0
   59    63    44    37  -0.07550 -1.0 2.0
   59    63    44    37   0.20000  1.0 3.0
   59    63    44    78   0.62750  1.0 1.0
   59    63    44    78  -0.30950 -1.0 2.0
   59    63    44    78   0.27300  1.0 3.0
   59    63    44    45   0.15000  1.0 3.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    74   1.63150  1.0 1.0
   59    65    67    74   2.92000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    44   0.15000  1.0 3.0
   60    59    65    67   0.08050  1.0 3.0
   63    59    65    67  -0.25900  1.0 1.0
   63    59    65    67  -0.47000 -1.0 2.0
   63    59    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    78  -0.15000  1.0 1.0
   63    66   -69    78   0.89550 -1.0 2.0
   63    66   -69    78  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    44    37   0.15000  1.0 3.0
   64    63    44    78   0.23400  1.0 3.0
   64    63    44    45   0.15000  1.0 3.0
   66    63    44    37   0.34400  1.0 1.0
   66    63    44    37   0.09450 -1.0 2.0
   66    63    44    37   0.11100  1.0 3.0
   66    63   -44    78   0.61850  1.0 1.0
   66    63   -44    78  -0.22750 -1.0 2.0
   66    63   -44    78   0.15300  1.0 3.0
   66    63    44    45   0.15000  1.0 3.0
   66    69   -78    44   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    78    44    37  -0.25900  1.0 1.0
   69    78    44    37  -0.47000 -1.0 2.0
   69    78    44    37   0.11750  1.0 3.0
   69    78   -44    63  -0.25900  1.0 1.0
   69    78   -44    63  -0.47000 -1.0 2.0
   69    78   -44    63   0.11750  1.0 3.0
   69    78    44    45   0.08050  1.0 3.0
   70    69    78    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    63   -66    69   0.09700  1.0 1.0
   44    63   -66    69   0.15600 -1.0 2.0
   44    63   -66    69  -0.50800  1.0 3.0
   44    63    66    71   0.09850  1.0 1.0
   44    63    66    71   0.15250 -1.0 2.0
   44    63    66    71  -0.50650  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    78  -0.56150  1.0 1.0
   71    66    69    78   2.19150 -1.0 2.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    66   0.61850  1.0 1.0
   65    59    63    66  -0.22750 -1.0 2.0
   65    59    63    66   0.15300  1.0 3.0
   65    59    63    44   0.62750  1.0 1.0
   65    59    63    44  -0.30950 -1.0 2.0
   65    59    63    44   0.27300  1.0 3.0
   65    67    74    75   0.00000  1.0 1.0
   65    67    74    76   0.00000  1.0 1.0
   65    67    74    77   0.00000  1.0 1.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   68    67    74    77   0.00000  1.0 1.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    59   0.46850  1.0 1.0
   53    46    50    59   0.08550 -1.0 2.0
   53    46    50    59   0.09800  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   47    57    61    62  -0.11600  1.0 1.0
   47    57    61    62  -0.09450 -1.0 2.0
   47    57    61    62   0.21250  1.0 3.0
   48    47    57    33   0.15000  1.0 3.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    61   0.23400  1.0 3.0
   49    47    57    33   0.15000  1.0 3.0
   49    47    57    58   0.15000  1.0 3.0
   49    47    57    61   0.23400  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.34400  1.0 1.0
   57    33   -37    43   0.09450 -1.0 2.0
   57    33   -37    43   0.11100  1.0 3.0
   57    33    37    44   0.56750  1.0 1.0
   57    33    37    44  -0.07550 -1.0 2.0
   57    33    37    44   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    57    47   0.56750  1.0 1.0
   39    33    57    47  -0.07550 -1.0 2.0
   39    33    57    47   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    61   0.86500  1.0 1.0
   39    33    57    61  -0.17500 -1.0 2.0
   39    33    57    61   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    78    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
END
