* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    224     431
    1     0 S   NP   _N1_     1    33.19171   101.30803   -20.68612
    2     1 S   H    _HN1     2     1.02741    91.72139   142.59254
    3     1 S   H    _H1_     3     1.03432   159.21857   -58.15564
    4     1 S   H    _H2_     4     1.02863    57.73925  -107.91124
    5     1 S   CT   _CA1     5     1.50231    65.56633    30.21737
    6     5 S   HC   _HA1     6     1.09450   104.90216   137.95292
    7     5 S   CO3  _C1_     7     1.53718   113.39982    17.44581
    8     7 S   O2Z  _O11     8     1.26433   115.08454   -28.43063
    9     7 S   O2Z  _O12     9     1.26254   115.14761   151.09824
   10     5 S   CT   _CB1    10     1.52940   107.32913  -103.51689
   11    10 S   HC   HB11    11     1.09454   109.22503   -39.59761
   12    10 S   HC   HB12    12     1.09835   110.54842    75.96789
   13    10 S   CT   _CG1    13     1.53229   113.27448  -161.79578
   14    13 S   HC   HG11    14     1.09526   110.96631   -87.84673
   15    13 S   HC   HG12    15     1.09584   111.48004    31.66439
   16    13 S   C    _CD1    16     1.51562   109.43084   151.76516
   17    16 S   O    _OE1    17     1.22770   122.11793    96.93591
   18    16 S   N    _N2_    18     1.38547   112.30597   -80.14435
   19    18 S   H    _HN2    19     1.01676   118.63847    -3.59810
   20    18 S   CT1  _CA2    20     1.45933   123.17515   170.76118
   21    20 S   HC   _HA2    21     1.09707   108.72306    28.44599
   22    20 S   C    _C2_    22     1.53277   108.70597   -87.58231
   23    22 S   O    _O2_    23     1.23132   121.00535   152.29306
   24    20 S   CT   _CB2    32     1.53165   112.02887   152.00615
   25    24 S   HC   HB21    33     1.09377   110.36013    54.57292
   26    24 S   HC   HB22    34     1.09573   109.98548   172.05478
   27    22 S   N    _N3_    24     1.38299   114.63357   -34.61300
   28    27 S   H    _HN3    25     1.01525   119.50276     0.02798
   29    24 S   S    _SG2    35     1.83209   111.15680   -69.79428
   30    27 S   CT   _CA3    26     1.45288   123.29943   179.69290
   31    30 S   HC   HA31    27     1.09565   108.37795   -38.07425
   32    30 S   HC   HA32    28     1.09445   107.29523    78.36231
   33    29 S   CT   _C24    36     1.86323   101.70293   123.62353
   34    30 S   CO3  _C3_    29     1.53019   114.05117  -160.51280
   35    34 S   O2Z  _O31    30     1.26463   116.24691   -13.11607
   36    34 S   O2Z  _O32    31     1.26389   114.51749   166.84411
   37    33 S   CM   _C15    37     1.52344   107.61248   -63.56140
   38    37 S   HC   _H33    38     1.09572   112.15019   -58.04755
   39    33 S   CT   _C20    77     1.53641   108.29008    66.33211
   40    39 S   HC   _H40    78     1.09733   111.36988    56.69220
   41    39 S   HC   _H41    79     1.09562   110.89527   174.90846
   42    39 S   HC   _H42    80     1.09416   113.21191   -63.93261
   43    33 S   CT   _C21    81     1.54201   106.19351  -178.35956
   44    43 S   HC   _H43    82     1.09696   111.86322   -61.14221
   45    43 S   HC   _H44    83     1.09734   112.36030    60.05016
   46    43 S   HC   _H45    84     1.09732   110.62692   179.59026
   47    37 S   CMA  _C17    39     1.35702   132.55115   121.25645
   48    47 S   OM   _O22    40     1.26820   122.74747  -177.86632
   49    47 S   OS   _O27    41     1.40787   112.47643     1.14295
   50    49 S   CT   _C23    42     1.43875   118.27196   166.24664
   51    50 S   HC   _H48    43     1.09946   110.28493   -31.96720
   52    50 S   CM   _C13    44     1.51867   110.37758    90.18034
   53    50 S   CT   _C22    63     1.54282   107.96635  -148.50770
   54    53 S   HC   _H46    64     1.09740   110.60000   -44.79418
   55    53 S   HC   _H47    65     1.09512   110.69031  -162.26138
   56    52 S   CM   _C10    45     1.33781   120.96904  -126.69773
   57    56 S   HC   _H31    46     1.08591   120.97845     0.92450
   58    53 S   CM   _C14    66     1.50748   111.57196    74.06258
   59    58 S   HC   _H32    67     1.08903   114.26578   -78.80080
   60    56 S   CO4  _C11    47     1.47196   123.17646  -178.89200
   61    60 S   O    _O23    48     1.22569   119.89564  -177.39196
   62    58 S   CM   _C16    68     1.34656   127.55557   101.91415
   63    60 S   CA   _C6_    49     1.47717   118.17092     3.45972
   64    62 S   CT   _C18    69     1.50536   120.48223   178.59779
   65    64 S   HC   _H34    70     1.09494   110.29026   119.04212
   66    64 S   HC   _H35    71     1.09514   112.40383    -1.08912
   67    64 S   HC   _H36    72     1.09496   110.19904  -121.13553
   68    62 S   CT   _C19    73     1.50256   125.01581    -2.25507
   69    68 S   HC   _H37    74     1.09476   110.11167   113.50765
   70    68 S   HC   _H38    75     1.09241   113.44361    -7.67391
   71    68 S   HC   _H39    76     1.09545   110.06129  -127.16196
   72    63 S   CA   _C7_    50     1.40196   119.72602    -4.30871
   73    72 S   CA   _C9_    51     1.40672   119.03651  -179.62885
   74    52 S   CO4  _C12    61     1.48816   119.34088    53.32238
   75    74 S   O    _O24    62     1.22640   121.19603    -3.92845
   76    73 S   CA   _C5_    52     1.39494   120.90760    -0.28462
   77    76 S   HA   _H30    53     1.08673   120.41681   179.87180
   78    73 S   OH   _O26    59     1.36992   123.62196   179.67857
   79    78 S   HO   _H50    60     0.97379   108.92119    -2.08525
   80    76 S   CA   _C4_    54     1.38990   119.90861     0.07913
   81    80 S   HA   _H29    55     1.08664   119.74489   179.72305
   82    63 S   CA   _C8_    56     1.40590   120.70244   175.81788
   83    82 S   OH   _O25    57     1.36954   123.52991    -0.21122
   84    83 S   HO   _H49    58     0.97355   108.89974     3.83288
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7  13   9   4   3   8   4  10   3   8   3   8  11   7
   3   2   1   3   2   1   1  10   9   4   1   7   4   2   1   4
   2   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    53  
   49    50  
   50    51    52    56    74    53    54    55    58  
   51    52    56    57    60    72    74    75    53    54    55    58    59    62  
   52    56    74    53    54    55    58  
   56    57    60    61    63    72    73    74    75    53    54    55    58  
   54    55    58    59    62    64    68    56    74  
   55    58    59    62  
   58    59    62  
   57    60    61    63    72    82    74    75  
   60    61    63    74  
   59    62    64    65    66    67    68    69    70    71  
   62    64    68  
   61    63    72    73    80    82    83    74  
   63    72    82  
   64    65    66    67    68    69    70    71  
   72    73    76    80    81    82    83    84    78    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    82    83    78    79    74    75  
   76    77    80    81    82    78    79    74    75  
   75    76    78    82  
    0  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   81    82    83    84  
   82    83  
   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  -0.335000   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   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    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   549.000  1.340
   52    74   320.000  1.462
   56    57   340.000  1.080
   56    60   320.000  1.462
   60    61   570.000  1.229
   60    63   310.000  1.470
   63    72   469.000  1.400
   63    82   469.000  1.400
   72    73   469.000  1.400
   72    74   310.000  1.470
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   78    79   553.000  0.945
   74    75   570.000  1.229
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    64   317.000  1.510
   62    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   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    53    50.00000  109.50000
   50    52    56    70.00000  124.00000
   50    52    74    65.00000  116.34900
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    58    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    65.00000  118.96000
   52    74    72    65.00000  117.02400
   52    74    75    80.00000  123.72100
   56    60    61    80.00000  123.72100
   56    60    63    65.00000  117.02400
   60    56    57    40.00000  117.72500
   60    63    72    60.00000  119.52600
   60    63    82    60.00000  119.52600
   63    60    61    75.00000  123.78400
   63    72    73    63.00000  120.00000
   63    72    74    60.00000  119.52600
   63    82    80    63.00000  120.00000
   63    82    83    70.00000  120.00000
   72    73    76    63.00000  120.00000
   72    73    78    70.00000  120.00000
   72    74    75    75.00000  123.78400
   73    76    77    35.00000  120.00000
   73    76    80    63.00000  120.00000
   73    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   76    80    82    63.00000  120.00000
   80    76    77    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    63    72    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   78    73    76    70.00000  120.00000
   74    52    56    65.00000  118.96000
   74    72    73    60.00000  119.52600
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    58    59    35.00000  117.00000
   53    58    62    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    62    64    70.00000  124.00000
   58    62    68    70.00000  124.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    37    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
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   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    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    56   0.39000  1.0 1.0
   49    50    52    56  -0.05800 -1.0 2.0
   49    50    52    56  -0.55150  1.0 3.0
   49    50    52    74   0.09700  1.0 1.0
   49    50    52    74   0.15600 -1.0 2.0
   49    50    52    74  -0.50800  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    58   0.61850  1.0 1.0
   49    50    53    58  -0.22750 -1.0 2.0
   49    50    53    58   0.15300  1.0 3.0
   50    52    56    57   7.00000 -1.0 2.0
   50    52    56    60   7.00000 -1.0 2.0
   50    52    74    72   1.50000 -1.0 2.0
   50    52    74    75  -0.64400  1.0 1.0
   50    52    74    75   0.26850 -1.0 2.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    62   0.09850  1.0 1.0
   50    53    58    62   0.15250 -1.0 2.0
   50    53    58    62  -0.50650  1.0 3.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    74   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    58   0.31000  1.0 1.0
   52    50    53    58   0.14700 -1.0 2.0
   52    50    53    58   0.07550  1.0 3.0
   52    56    60    61   1.00000 -1.0 2.0
   52    56    60    63  -1.65800  1.0 1.0
   52    56    60    63   0.77650 -1.0 2.0
   56    52    74    72  -1.65800  1.0 1.0
   56    52    74    72   0.77650 -1.0 2.0
   56    52    74    75   1.00000 -1.0 2.0
   56    60   -63    72  -0.11500  1.0 1.0
   56    60   -63    72   1.10450 -1.0 2.0
   56    60   -63    72  -0.48050  1.0 3.0
   56    60    63    82  -0.11500  1.0 1.0
   56    60    63    82   1.10450 -1.0 2.0
   56    60    63    82  -0.48050  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    63   1.64500 -1.0 2.0
   60    63    72    73   3.62500 -1.0 2.0
   60    63    72    74   3.62500 -1.0 2.0
   60    63    82    80   3.62500 -1.0 2.0
   60    63    82    83   3.62500 -1.0 2.0
   61    60    63    72   1.05000 -1.0 2.0
   61    60    63    82   1.05000 -1.0 2.0
   63    72    73    76   3.62500 -1.0 2.0
   63    72    73    78   3.62500 -1.0 2.0
   63    72   -74    52  -0.11500  1.0 1.0
   63    72   -74    52   1.10450 -1.0 2.0
   63    72   -74    52  -0.48050  1.0 3.0
   63    72    74    75   1.05000 -1.0 2.0
   63    82    83    84   0.84100 -1.0 2.0
   72    63    82    80   3.62500 -1.0 2.0
   72    63    82    83   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    73   -76    80   3.62500 -1.0 2.0
   72    73    78    79   0.84100 -1.0 2.0
   73    72    74    52  -0.11500  1.0 1.0
   73    72    74    52   1.10450 -1.0 2.0
   73    72    74    52  -0.48050  1.0 3.0
   73    72    74    75   1.05000 -1.0 2.0
   73    76    80    81   3.62500 -1.0 2.0
   73    76    80    82   3.62500 -1.0 2.0
   76    73    78    79   0.84100 -1.0 2.0
   76    80   -82    63   3.62500 -1.0 2.0
   76    80    82    83   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    63   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    63   -72    73   3.62500 -1.0 2.0
   82    63    72    74   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   78    73    76    80   3.62500 -1.0 2.0
   74    52    56    57   7.00000 -1.0 2.0
   74    52   -56    60   7.00000 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   74    72    73    78   3.62500 -1.0 2.0
   53    50    52    56   0.09850  1.0 1.0
   53    50    52    56   0.15250 -1.0 2.0
   53    50    52    56  -0.50650  1.0 3.0
   53    50    52    74   0.09700  1.0 1.0
   53    50    52    74   0.15600 -1.0 2.0
   53    50    52    74  -0.50800  1.0 3.0
   53    58    62    64   7.00000 -1.0 2.0
   53    58    62    68   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    62   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    62   0.00000  1.0 1.0
   58    62    64    65   0.00000  1.0 1.0
   58    62    64    66   0.00000  1.0 1.0
   58    62    64    67   0.00000  1.0 1.0
   58    62    68    69   0.00000  1.0 1.0
   58    62    68    70   0.00000  1.0 1.0
   58    62    68    71   0.00000  1.0 1.0
   59    58    62    64   7.00000 -1.0 2.0
   59    58    62    68   7.00000 -1.0 2.0
   64    62    68    69   0.34800  1.0 3.0
   64    62    68    70   0.34800  1.0 3.0
   64    62    68    71   0.34800  1.0 3.0
   68    62    64    65   0.34800  1.0 3.0
   68    62    64    66   0.34800  1.0 3.0
   68    62    64    67   0.34800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    74    52    56   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    63    60    61  10.50000 -1.0 2.0
   72    82    63    60   4.00000 -1.0 2.0
   73    74    72    63   4.00000 -1.0 2.0
   76    78    73    72   4.00000 -1.0 2.0
   80    77    76    73   1.10000 -1.0 2.0
   82    81    80    76   1.10000 -1.0 2.0
   80    83    82    63   4.00000 -1.0 2.0
   52    72    74    75  10.50000 -1.0 2.0
   53    59    58    62  15.00000 -1.0 2.0
   64    68    62    58  15.00000 -1.0 2.0
END
