* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    155    238     453
    1     0 S   NP   _N1_     1    29.38660    94.96283   -24.05328
    2     1 S   H    _HN1     2     1.02780   110.08910   -79.69667
    3     1 S   H    _H1_     3     1.02960    75.87822    24.95921
    4     1 S   H    _H2_     4     1.02829    32.48579  -171.71189
    5     1 S   CT   _CA1     5     1.50127   131.91107   129.82783
    6     5 S   HC   _HA1     6     1.09576   105.21689    88.42665
    7     5 S   CO3  _C1_     7     1.53776   112.42850   -31.74389
    8     7 S   O2Z  _O11     8     1.26358   115.01250   -43.05682
    9     7 S   O2Z  _O12     9     1.26243   114.91967   136.09667
   10     5 S   CT   _CB1    10     1.53082   107.39987  -153.70052
   11    10 S   HC   HB11    11     1.09828   109.25912   -50.98020
   12    10 S   HC   HB12    12     1.09820   110.42759    65.53049
   13    10 S   CT   _CG1    13     1.53018   112.74017  -172.10942
   14    13 S   HC   HG11    14     1.09591   110.45874   -64.79784
   15    13 S   HC   HG12    15     1.09653   109.98733    54.46345
   16    13 S   C    _CD1    16     1.51790   112.25665   174.73084
   17    16 S   O    _OE1    17     1.22715   123.26882    -1.92742
   18    16 S   N    _N2_    18     1.38648   111.74337   178.57880
   19    18 S   H    _HN2    19     1.01568   119.08641     1.93917
   20    18 S   CT1  _CA2    20     1.46063   123.19684   179.41050
   21    20 S   HC   _HA2    21     1.09725   109.14196     1.34275
   22    20 S   C    _C2_    22     1.53409   109.01590  -113.56936
   23    22 S   O    _O2_    23     1.23012   122.26901  -144.47897
   24    20 S   CT   _CB2    32     1.53303   111.73852   122.87837
   25    24 S   HC   HB21    33     1.09542   111.01932    53.26830
   26    24 S   HC   HB22    34     1.09401   109.46638   172.10086
   27    22 S   N    _N3_    24     1.38471   113.38196    43.35333
   28    27 S   H    _HN3    25     1.01488   119.04179    -1.80689
   29    24 S   S    _SG2    35     1.82884   110.97543   -67.52003
   30    27 S   CT   _CA3    26     1.45412   123.51050   173.35828
   31    30 S   HC   HA31    27     1.09501   109.55918    21.07209
   32    30 S   HC   HA32    28     1.09495   107.16764   138.24393
   33    29 S   CT   _C23    36     1.83863    99.66139  -149.75368
   34    33 S   HC   _H3_    37     1.09487   108.26324    29.79372
   35    30 S   CO3  _C3_    29     1.52837   112.44285  -102.42202
   36    35 S   O2Z  _O31    30     1.26440   115.16996   -50.98724
   37    35 S   O2Z  _O32    31     1.26309   115.22088   129.48947
   38    33 S   CM   _C12    38     1.53400   108.62688   148.02343
   39    33 S   CT   _C21    81     1.52965   109.82433   -85.24755
   40    39 S   HC   _H44    82     1.09565   112.57612   -57.43601
   41    39 S   HC   _H45    83     1.09591   110.49774  -178.00737
   42    39 S   HC   _H46    84     1.09603   110.95715    63.30602
   43    38 S   CMA  _C13    39     1.36880   122.25023   -93.04305
   44    43 S   OM   _O21    40     1.26876   125.54342  -177.19935
   45    38 S   CT   _C19    77     1.51763   115.47518    86.97565
   46    45 S   HC   _H38    78     1.09500   110.45893   -51.41827
   47    45 S   HC   _H39    79     1.09419   113.46372  -170.87549
   48    45 S   HC   _H40    80     1.09470   110.35669    68.76495
   49    43 S   OS   _O27    41     1.41591   111.19469     2.18525
   50    49 S   CT   _C17    42     1.44794   118.21216   145.47880
   51    50 S   HC   _H37    43     1.09755   110.15268    45.46345
   52    50 S   CT   _C14    44     1.55602   107.79714   -73.69858
   53    52 S   HC   _H33    45     1.09723   107.55712   -49.11714
   54    52 S   HC   _H34    46     1.09833   109.32747    61.68403
   55    50 S   CT   _C16    58     1.56391   106.20301   161.08130
   56    55 S   HC   _H36    59     1.09476   109.00556  -167.77527
   57    52 S   CT   _C18    47     1.54218   118.46006  -173.91140
   58    55 S   CM   _C8_    60     1.49474   113.16917   -49.34394
   59    57 S   CO4  _C9_    48     1.51504   110.64407   150.35134
   60    59 S   O    _O22    49     1.22057   126.27339    85.46801
   61    58 S   CO4  _C10    61     1.47026   110.26962   114.82774
   62    61 S   O    _O23    62     1.21804   126.87256  -175.81811
   63    58 S   CM   _C11    64     1.33643   127.87063   -65.76491
   64    63 S   HC   _H31    65     1.08498   120.73989     0.50899
   65    63 S   HC   _H32    66     1.08493   121.82018  -179.83687
   66    57 S   CT   _C20    73     1.51727   113.61803   -81.09920
   67    66 S   HC   _H41    74     1.09530   110.88406    62.00521
   68    66 S   HC   _H42    75     1.09475   111.55175   -59.32937
   69    66 S   HC   _H43    76     1.09616   110.95494  -179.61948
   70    59 S   CM   _C4_    50     1.46535   109.99780   -91.28946
   71    70 S   HC   _H29    51     1.07365   127.50459   159.40080
   72    81 S   OS   _O25    63     1.44567   107.97123   170.00015
   73    70 S   CM   _C7_    52     1.33033   100.28862   -11.08413
   74    73 S   CM   _C6_    53     1.44347   128.25501   165.91743
   75    57 S   OS   _O24    72     1.43204   110.27337    41.74026
   76    74 S   CM   _C5_    54     1.35225   120.62470  -112.89039
   77    76 S   HC   _H30    55     1.08891   118.03701  -179.75853
   78    74 S   CT   _C22    67     1.50269   117.10784    66.65823
   79    78 S   HC   _H47    68     1.09432   111.05239   -52.04951
   80    78 S   HC   _H48    69     1.09522   111.71794  -172.65217
   81    76 S   CT   _C15    56     1.52008   126.12748     3.48217
   82    81 S   HC   _H35    57     1.09321   107.99214    56.89621
   83    78 S   OH   _O26    70     1.42312   109.43233    67.78212
   84    83 S   HO   _H50    71     0.97230   106.73756  -178.15899
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4   1
   1   6   3   2   1   6   3   5   9  10   2   7   3   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    81    55    56    58  
   51    52    53    54    57    59    76    81    82    55    56    58    61    72    63    75    66  
   52    53    54    57    81    55    56    58  
   53    54    57    59    60    70    73    81    55    56    58    75    66    67    68    69  
   54    57    59    55    75    66  
   57    59    55    75    66  
   56    58    61    62    72    63    64    65    57    74    76    77    81    82  
   58    61    72    63    76    81    82  
   59    60    70    71    73    74    75    66    67    68    69  
   61    62    72    63    64    65    76    81    82  
   60    70    71    73    74    75    66    67    68    69  
   70    71    73    75    66  
   62    72    63    64    65    76    81    82  
   72    63    81  
   64    65    72    81  
   65  
    0  
   67    68    69    70    73    75  
   68    69    75  
   69    75  
   75  
   71    73    74    76    78    75  
   73    74    75  
   74    76    77    81    82  
   74    76    77    81    78    79    80    83    75  
   76    77    81    82    78    79    80    83    84    75  
   76    78  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    84    81  
   80    83    84  
   83    84  
   82  
    0  
   84  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    59   317.000  1.522
   57    75   320.000  1.410
   57    66   268.000  1.529
   59    60   570.000  1.229
   59    70   320.000  1.462
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    74   380.000  1.444
   73    75   440.000  1.360
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    81   317.000  1.510
   81    82   340.000  1.090
   81    55   268.000  1.529
   81    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    72   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   320.000  1.410
   83    84   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    81    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    63.00000  111.10000
   52    57    75    50.00000  109.50000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    59    60    80.00000  120.40000
   57    59    70    65.00000  118.62400
   57    75    73    90.00000  111.18400
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   59    70    71    40.00000  117.72500
   59    70    73    65.00000  118.96000
   70    59    60    80.00000  123.72100
   70    73    74    70.00000  123.01800
   70    73    75    80.00000  120.01400
   73    70    71    35.00000  120.00000
   73    74    76    70.00000  123.01800
   73    74    78    70.00000  124.00000
   74    76    77    35.00000  120.00000
   74    76    81    70.00000  124.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    83    90.00000  110.39200
   76    81    82    35.00000  109.50000
   76    81    55    70.00000  112.02700
   76    81    72    85.00000  110.90400
   81    76    77    35.00000  117.00000
   81    55    56    37.50000  110.70000
   81    55    58    70.00000  112.02700
   81    72    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    81    82    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    72    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   72    81    82    35.00000  109.50000
   72    81    55    50.00000  109.50000
   72    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   78    74    76    70.00000  124.00000
   78    83    84    55.00000  108.50000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   75    57    59    90.00000  108.74100
   75    73    74    80.00000  120.01400
   66    57    59    63.00000  111.10000
   66    57    75    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  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    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    81   0.62750  1.0 1.0
   49    50    55    81  -0.30950 -1.0 2.0
   49    50    55    81   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59  -0.95700  1.0 1.0
   50    52    57    59  -0.18200 -1.0 2.0
   50    52    57    59   0.29450  1.0 3.0
   50    52    57    75   0.62750  1.0 1.0
   50    52    57    75  -0.30950 -1.0 2.0
   50    52    57    75   0.27300  1.0 3.0
   50    52    57    66   0.56750  1.0 1.0
   50    52    57    66  -0.07550 -1.0 2.0
   50    52    57    66   0.20000  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    81   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    81   0.56750  1.0 1.0
   52    50    55    81  -0.07550 -1.0 2.0
   52    50    55    81   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   0.30150 -1.0 2.0
   52    57    59    70   0.65300  1.0 1.0
   52    57    59    70  -0.03850 -1.0 2.0
   52    57    59    70   0.33900  1.0 3.0
   52    57    75    73  -0.46850  1.0 1.0
   52    57    75    73   0.09300 -1.0 2.0
   52    57    75    73  -0.12850  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57    66    69   0.15000  1.0 3.0
   53    52    57    59  -0.11250  1.0 3.0
   53    52    57    75   0.23400  1.0 3.0
   53    52    57    66   0.15000  1.0 3.0
   54    52    57    59  -0.11250  1.0 3.0
   54    52    57    75   0.23400  1.0 3.0
   54    52    57    66   0.15000  1.0 3.0
   57    59    70    71   0.04550  1.0 1.0
   57    59    70    71   0.83000 -1.0 2.0
   57    59    70    71  -0.04000  1.0 3.0
   57    59   -70    73  -0.33500  1.0 1.0
   57    59   -70    73   1.06600 -1.0 2.0
   57    59   -70    73  -0.14000  1.0 3.0
   59    57   -75    73  -0.48150  1.0 1.0
   59    57   -75    73   0.09250 -1.0 2.0
   59    57   -75    73  -0.12850  1.0 3.0
   59    57    66    67  -0.11250  1.0 3.0
   59    57    66    68  -0.11250  1.0 3.0
   59    57    66    69  -0.11250  1.0 3.0
   59    70    73    74   7.00000 -1.0 2.0
   59    70   -73    75   7.00000 -1.0 2.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    73   1.00000 -1.0 2.0
   70    73    74    76   0.28850  1.0 1.0
   70    73    74    76   2.61350 -1.0 2.0
   70    73    74    76   0.78400  1.0 3.0
   70    73    74    78  -0.18600  1.0 3.0
   70    73   -75    57  -2.26850  1.0 1.0
   70    73   -75    57   3.39050 -1.0 2.0
   71    70    73    74   7.00000 -1.0 2.0
   71    70    73    75   7.00000 -1.0 2.0
   73    74    76    77   7.00000 -1.0 2.0
   73    74    76    81   7.00000 -1.0 2.0
   73    74    78    79   0.00000  1.0 1.0
   73    74    78    80   0.00000  1.0 1.0
   73    74    78    83  -0.17300  1.0 1.0
   73    74    78    83   0.35150 -1.0 2.0
   73    74    78    83   0.31550  1.0 3.0
   74    73    75    57  -2.26850  1.0 1.0
   74    73    75    57   3.39050 -1.0 2.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    55   0.09850  1.0 1.0
   74    76    81    55   0.15250 -1.0 2.0
   74    76    81    55  -0.50650  1.0 3.0
   74    76    81    72   0.39000  1.0 1.0
   74    76    81    72  -0.05800 -1.0 2.0
   74    76    81    72  -0.55150  1.0 3.0
   74    78    83    84  -0.07800  1.0 1.0
   74    78    83    84  -0.21500 -1.0 2.0
   74    78    83    84  -0.03150  1.0 3.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    83   0.67800  1.0 1.0
   76    74    78    83   0.47050 -1.0 2.0
   76    74    78    83  -0.62500  1.0 3.0
   76    81    55    50   0.34400  1.0 1.0
   76    81    55    50   0.09450 -1.0 2.0
   76    81    55    50   0.11100  1.0 3.0
   76    81    55    56   0.15000  1.0 3.0
   76    81    55    58   0.31000  1.0 1.0
   76    81    55    58   0.14700 -1.0 2.0
   76    81    55    58   0.07550  1.0 3.0
   76    81    72    61  -0.82050  1.0 1.0
   76    81    72    61   0.00600 -1.0 2.0
   76    81    72    61   0.04400  1.0 3.0
   77    76    81    82   0.33100  1.0 3.0
   77    76    81    55   0.00000  1.0 1.0
   77    76    81    72   0.00000  1.0 1.0
   81    55   -58    61   0.09700  1.0 1.0
   81    55   -58    61   0.15600 -1.0 2.0
   81    55   -58    61  -0.50800  1.0 3.0
   81    55    58    63   0.09850  1.0 1.0
   81    55    58    63   0.15250 -1.0 2.0
   81    55    58    63  -0.50650  1.0 3.0
   82    81    55    50   0.15000  1.0 3.0
   82    81    55    56   0.15000  1.0 3.0
   82    81    55    58   0.15000  1.0 3.0
   82    81    72    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.56750  1.0 1.0
   55    50    52    57  -0.07550 -1.0 2.0
   55    50    52    57   0.20000  1.0 3.0
   55    81   -72    61  -0.25900  1.0 1.0
   55    81   -72    61  -0.47000 -1.0 2.0
   55    81   -72    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    72  -0.15000  1.0 1.0
   55    58   -61    72   0.89550 -1.0 2.0
   55    58   -61    72  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -72    81   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    72    81   3.00000 -1.0 2.0
   72    81    55    50   0.62750  1.0 1.0
   72    81    55    50  -0.30950 -1.0 2.0
   72    81    55    50   0.27300  1.0 3.0
   72    81    55    56   0.23400  1.0 3.0
   72    81   -55    58   0.61850  1.0 1.0
   72    81   -55    58  -0.22750 -1.0 2.0
   72    81   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    72  -0.56150  1.0 1.0
   63    58    61    72   2.19150 -1.0 2.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    81   7.00000 -1.0 2.0
   79    78    83    84   0.19450  1.0 3.0
   80    78    83    84   0.19450  1.0 3.0
   75    57    59    60   0.30150 -1.0 2.0
   75    57   -59    70   0.65300  1.0 1.0
   75    57   -59    70  -0.03850 -1.0 2.0
   75    57   -59    70   0.33900  1.0 3.0
   75    57    66    67   0.23400  1.0 3.0
   75    57    66    68   0.23400  1.0 3.0
   75    57    66    69   0.23400  1.0 3.0
   75    73    74    76  -0.51250  1.0 1.0
   75    73    74    76   1.23350 -1.0 2.0
   75    73    74    78   1.08500 -1.0 2.0
   66    57    59    60   0.30150 -1.0 2.0
   66    57    59    70   0.65300  1.0 1.0
   66    57    59    70  -0.03850 -1.0 2.0
   66    57    59    70   0.33900  1.0 3.0
   66    57    75    73  -0.46850  1.0 1.0
   66    57    75    73   0.09300 -1.0 2.0
   66    57    75    73  -0.12850  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    70    59    60  10.50000 -1.0 2.0
   59    71    70    73   1.10000 -1.0 2.0
   74    75    73    70   1.10000 -1.0 2.0
   73    78    74    76   1.10000 -1.0 2.0
   81    77    76    74   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    72    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
