* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    150    205     421
    1     0 S   NP   _N1_     1    28.62605    94.70396   -19.66458
    2     1 S   H    _HN1     2     1.02775    83.51914   -69.37157
    3     1 S   H    _H1_     3     1.02970    92.83609    38.81679
    4     1 S   H    _H2_     4     1.02836    34.48550   155.19506
    5     1 S   CT   _CA1     5     1.50166   144.47570   170.73401
    6     5 S   HC   _HA1     6     1.09568   105.24454    49.68926
    7     5 S   CO3  _C1_     7     1.53814   112.41671   -70.46540
    8     7 S   O2Z  _O11     8     1.26342   114.98529   -39.55044
    9     7 S   O2Z  _O12     9     1.26238   114.97683   139.59561
   10     5 S   CT   _CB1    10     1.53060   107.35432   167.64781
   11    10 S   HC   HB11    11     1.09818   109.38027   -50.08123
   12    10 S   HC   HB12    12     1.09761   110.31171    66.43131
   13    10 S   CT   _CG1    13     1.52971   112.86889  -171.32115
   14    13 S   HC   HG11    14     1.09508   110.29257   -61.52630
   15    13 S   HC   HG12    15     1.09622   110.19266    57.71329
   16    13 S   C    _CD1    16     1.51786   112.14759   177.96818
   17    16 S   O    _OE1    17     1.22737   123.15693   -10.82544
   18    16 S   N    _N2_    18     1.38609   111.73628   169.73383
   19    18 S   H    _HN2    19     1.01594   119.10229     1.07793
   20    18 S   CT1  _CA2    20     1.46292   123.35242  -177.77050
   21    20 S   HC   _HA2    21     1.09732   109.34439   -13.03256
   22    20 S   C    _C2_    22     1.53400   108.55099  -128.80624
   23    22 S   O    _O2_    23     1.23017   122.21518  -147.36117
   24    20 S   CT   _CB2    32     1.53453   111.19067   108.93742
   25    24 S   HC   HB21    33     1.09395   109.37176    56.65581
   26    24 S   HC   HB22    34     1.09508   110.65686   175.08259
   27    22 S   N    _N3_    24     1.38502   113.39051    40.12782
   28    27 S   H    _HN3    25     1.01528   118.87681    -0.77909
   29    24 S   S    _SG2    35     1.82833   111.31919   -65.55559
   30    27 S   CT   _CA3    26     1.45459   123.54639   175.10059
   31    30 S   HC   HA31    27     1.09516   109.33721    22.09710
   32    30 S   HC   HA32    28     1.09497   107.08561   139.12128
   33    29 S   CT   _C13    36     1.87655   100.50615   154.53401
   34    30 S   CO3  _C3_    29     1.52925   113.09599  -101.45369
   35    34 S   O2Z  _O31    30     1.26406   115.41231   -43.82248
   36    34 S   O2Z  _O32    31     1.26357   114.98042   137.12033
   37    33 S   CM   _C7_    37     1.51766   107.07231   168.40565
   38    33 S   OS   _O23    80     1.42650   108.96275    47.12147
   39    37 S   CMA  _C6_    38     1.35640   123.58833    92.65789
   40    39 S   OM   _O20    39     1.26190   128.58497   172.12496
   41    37 S   OS   _O22    75     1.39622   116.30804   -97.27819
   42    38 S   CT   _C19    81     1.42239   116.41620  -172.68262
   43    42 S   HC   _H42    82     1.09382   107.75000  -167.94574
   44    42 S   HC   _H43    83     1.09233   110.99281    74.55851
   45    42 S   HC   _H44    84     1.09306   112.34497   -48.94340
   46    39 S   CM   _C4_    40     1.49526   118.71256    -6.93062
   47    41 S   CT   _C18    76     1.42339   112.17960    80.69501
   48    47 S   HC   _H39    77     1.09406   107.85813   163.75469
   49    47 S   HC   _H40    78     1.09490   111.86252    45.10704
   50    47 S   HC   _H41    79     1.09381   110.55968   -78.66398
   51    46 S   CM   _C5_    41     1.35617   120.79261    22.08137
   52    46 S   CT   _C20    48     1.53865   119.58755  -159.14796
   53    52 S   HC   _H45    49     1.09694   109.88360  -149.36927
   54    52 S   HC   _H46    50     1.09228   111.68883   -36.00210
   55    33 S   CO4  _C8_    42     1.54037   104.89434   -75.32719
   56    55 S   O    _O21    43     1.23189   122.48093    97.20024
   57    51 S   CT   _C14    44     1.50361   127.25448   177.61764
   58    57 S   HC   _H27    45     1.09203   113.40034    21.84205
   59    57 S   HC   _H28    46     1.09456   110.06812   -99.87254
   60    57 S   HC   _H29    47     1.09569   110.73778   140.56873
   61    52 S   CM   _C9_    51     1.50934   111.86327    91.27267
   62    61 S   HC   _H25    52     1.09020   113.82626    47.96596
   63    61 S   CM   _C11    53     1.34858   128.91323  -134.87635
   64    63 S   CT   _C15    54     1.50859   119.32378  -176.23418
   65    64 S   HC   _H30    55     1.09503   110.28879   126.10569
   66    64 S   HC   _H31    56     1.09493   112.41669     6.58151
   67    64 S   HC   _H32    57     1.09336   110.79387  -113.51757
   68    63 S   CT   _C22    58     1.51558   125.13993     0.13562
   69    68 S   HC   _H49    59     1.09829   107.63390  -114.83425
   70    68 S   HC   _H50    60     1.09402   111.80211     0.18557
   71    68 S   CT   _C21    61     1.53780   115.21987   124.61342
   72    71 S   HC   _H47    62     1.09276   109.73345    62.30350
   73    71 S   HC   _H48    63     1.09763   108.01151   176.89234
   74    71 S   CM   _C10    64     1.50295   113.06645   -64.38216
   75    74 S   HC   _H26    65     1.08958   113.83184   -57.46493
   76    74 S   CM   _C12    66     1.34674   128.40115   123.07528
   77    76 S   CT   _C16    67     1.50617   120.25628  -179.66957
   78    77 S   HC   _H33    68     1.09477   110.15750   121.69629
   79    77 S   HC   _H34    69     1.09493   112.55291     1.55192
   80    77 S   HC   _H35    70     1.09495   110.22515  -118.64343
   81    76 S   CT   _C17    71     1.50216   125.63656     0.27625
   82    81 S   HC   _H36    72     1.09532   110.02305   123.76593
   83    81 S   HC   _H37    73     1.09512   110.01119  -117.03129
   84    81 S   HC   _H38    74     1.09126   113.80640     3.69724
  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
  15   2   1   1  14   9  11   4   6   4   2   1   1  13   3   2
   1   1  10   9   4   3   5   1   3   2   1   1  10   3  11   7
   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    55    56    41    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    46    51    55    56    57    41    47    38    42    43    44    45  
   35    36  
   36  
    0  
   39    40    46    51    55    56    52    41    47    48    49    50    38    42  
   42    43    44    45    39    41    51    55    56  
   40    46    51    55    57    52    53    54    61    41    47  
   46    51    52    41  
   47    48    49    50    46    55  
   43    44    45    55  
   44    45  
   45  
    0  
   51    55    56    57    58    59    60    52    53    54    61    62    63  
   48    49    50  
   49    50  
   50  
    0  
   55    56    57    58    59    60    52    53    54    61  
   53    54    61    62    63    64    68    55    57  
   54    61    62    63  
   61    62    63  
   56    57    58    59    60  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    69    70    71  
   63    64    68  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    81  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   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  -0.316400   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   0.465900   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   3.5500   0.0760  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    55   317.000  1.522
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   440.000  1.360
   39    40   745.000  1.250
   39    46   465.000  1.376
   46    51   549.000  1.340
   46    52   317.000  1.510
   51    55   320.000  1.462
   51    57   317.000  1.510
   55    56   570.000  1.229
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   41    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  112.20000
   29    33    55    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    55    51    65.00000  118.62400
   33    55    56    80.00000  120.40000
   33    38    42    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    46    70.00000  123.01800
   37    41    47    90.00000  111.18400
   39    46    51    70.00000  117.34000
   39    46    52    70.00000  124.00000
   46    39    40    65.00000  137.10300
   46    51    55    65.00000  118.96000
   46    51    57    70.00000  124.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    61    70.00000  110.12100
   51    55    56    80.00000  123.72100
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    33    37    70.00000  109.06800
   57    51    55    65.00000  116.34900
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   52    46    51    70.00000  124.00000
   52    61    62    35.00000  117.00000
   52    61    63    70.00000  124.00000
   54    52    53    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    54    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    68    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    63    64    65.00000  117.92700
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    35.00000  117.00000
   71    74    76    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   41    37    39    80.00000  120.01400
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    55    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    55    51   0.65300  1.0 1.0
   29    33    55    51  -0.03850 -1.0 2.0
   29    33    55    51   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    41    47   2.00000 -1.0 2.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    55    51   0.65300  1.0 1.0
   37    33    55    51  -0.03850 -1.0 2.0
   37    33    55    51   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39   -46    51   7.00000 -1.0 2.0
   37    39    46    52   7.00000 -1.0 2.0
   37    41    47    48   0.08050  1.0 3.0
   37    41    47    49   0.08050  1.0 3.0
   37    41    47    50   0.08050  1.0 3.0
   39    37    41    47  -2.26850  1.0 1.0
   39    37    41    47   3.39050 -1.0 2.0
   39    46    51    55   7.00000 -1.0 2.0
   39    46    51    57   7.00000 -1.0 2.0
   39    46    52    53   0.00000  1.0 1.0
   39    46    52    54   0.00000  1.0 1.0
   39    46    52    61  -0.28300  1.0 1.0
   39    46    52    61   0.26700 -1.0 2.0
   39    46    52    61  -0.63300  1.0 3.0
   40    39    46    51   7.00000 -1.0 2.0
   40    39    46    52   7.00000 -1.0 2.0
   46    51   -55    33  -0.33500  1.0 1.0
   46    51   -55    33   1.06600 -1.0 2.0
   46    51   -55    33  -0.14000  1.0 3.0
   46    51    55    56   1.00000 -1.0 2.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   46    51    57    60   0.00000  1.0 1.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63  -0.28300  1.0 1.0
   46    52    61    63   0.26700 -1.0 2.0
   46    52    61    63  -0.63300  1.0 3.0
   51    46    52    53   0.00000  1.0 1.0
   51    46    52    54   0.00000  1.0 1.0
   51    46    52    61  -0.28300  1.0 1.0
   51    46    52    61   0.26700 -1.0 2.0
   51    46    52    61  -0.63300  1.0 3.0
   55    33   -37    39  -0.51250  1.0 1.0
   55    33   -37    39  -0.88800 -1.0 2.0
   55    33   -37    39   0.08850  1.0 3.0
   55    33    37    41   0.09700  1.0 1.0
   55    33    37    41   0.15600 -1.0 2.0
   55    33    37    41  -0.50800  1.0 3.0
   55    33    38    42  -1.11000  1.0 1.0
   55    33    38    42   0.50250 -1.0 2.0
   55    33    38    42   0.47450  1.0 3.0
   55    51    57    58   0.15000  1.0 3.0
   55    51    57    59   0.15000  1.0 3.0
   55    51    57    60   0.15000  1.0 3.0
   57    51    55    33   0.25700  1.0 1.0
   57    51    55    33   0.66200 -1.0 2.0
   57    51    55    33   0.04450  1.0 3.0
   57    51    55    56  -0.64400  1.0 1.0
   57    51    55    56   0.26850 -1.0 2.0
   52    46    51    55   7.00000 -1.0 2.0
   52    46    51    57   7.00000 -1.0 2.0
   52    61    63    64   7.00000 -1.0 2.0
   52    61    63    68   7.00000 -1.0 2.0
   53    52    61    62   0.33100  1.0 3.0
   53    52    61    63   0.00000  1.0 1.0
   54    52    61    62   0.33100  1.0 3.0
   54    52    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    67   0.00000  1.0 1.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    70   0.00000  1.0 1.0
   61    63    68    71   0.09850  1.0 1.0
   61    63    68    71   0.15250 -1.0 2.0
   61    63    68    71  -0.50650  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    68   7.00000 -1.0 2.0
   63    68    71    72   0.15000  1.0 3.0
   63    68    71    73   0.15000  1.0 3.0
   63    68    71    74   0.31000  1.0 1.0
   63    68    71    74   0.14700 -1.0 2.0
   63    68    71    74   0.07550  1.0 3.0
   64    63    68    69   0.34800  1.0 3.0
   64    63    68    70   0.34800  1.0 3.0
   64    63    68    71   0.46850  1.0 1.0
   64    63    68    71   0.08550 -1.0 2.0
   64    63    68    71   0.09800  1.0 3.0
   68    63    64    65   0.34800  1.0 3.0
   68    63    64    66   0.34800  1.0 3.0
   68    63    64    67   0.34800  1.0 3.0
   68    71    74    75   0.00000  1.0 1.0
   68    71    74    76   0.09850  1.0 1.0
   68    71    74    76   0.15250 -1.0 2.0
   68    71    74    76  -0.50650  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    81   7.00000 -1.0 2.0
   72    71    74    75   0.33100  1.0 3.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.33100  1.0 3.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    55    51   0.65300  1.0 1.0
   38    33    55    51  -0.03850 -1.0 2.0
   38    33    55    51   0.33900  1.0 3.0
   38    33    55    56   0.30150 -1.0 2.0
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
   33    41    37    39   1.10000 -1.0 2.0
   46    40    39    37   1.10000 -1.0 2.0
   39    52    46    51   1.10000 -1.0 2.0
   55    57    51    46   1.10000 -1.0 2.0
   33    51    55    56  10.50000 -1.0 2.0
   52    62    61    63  15.00000 -1.0 2.0
   64    68    63    61  15.00000 -1.0 2.0
   71    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
