* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    164    248     477
    1     0 S   NP   _N1_     1    29.21357    94.90884   -18.29872
    2     1 S   H    _HN1     2     1.02965   100.89039    31.45193
    3     1 S   H    _H1_     3     1.02843    42.98502   134.89662
    4     1 S   H    _H2_     4     1.02785    69.78341   -74.18101
    5     1 S   CT   _CA1     5     1.50093   145.19228  -174.30670
    6     5 S   HC   _HA1     6     1.09572   105.31866    24.89741
    7     5 S   CO3  _C1_     7     1.53845   112.16439   -95.40231
    8     7 S   O2Z  _O11     8     1.26339   115.06957   -49.28889
    9     7 S   O2Z  _O12     9     1.26237   114.90269   129.94382
   10     5 S   CT   _CB1    10     1.53077   107.41018   142.76080
   11    10 S   HC   HB11    11     1.09817   109.53888   -51.00954
   12    10 S   HC   HB12    12     1.09796   110.31334    65.50339
   13    10 S   CT   _CG1    13     1.53002   112.63734  -172.16709
   14    13 S   HC   HG11    14     1.09484   110.25187   -57.31278
   15    13 S   HC   HG12    15     1.09600   110.29259    61.87356
   16    13 S   C    _CD1    16     1.51727   111.95038  -177.78963
   17    16 S   O    _OE1    17     1.22750   123.02624   -16.05259
   18    16 S   N    _N2_    18     1.38612   111.82851   164.39281
   19    18 S   H    _HN2    19     1.01581   119.18026     1.93138
   20    18 S   CT1  _CA2    20     1.46295   123.26163  -175.73249
   21    20 S   HC   _HA2    21     1.09732   109.29463   -14.94864
   22    20 S   C    _C2_    22     1.53345   108.53436  -130.81957
   23    22 S   O    _O2_    23     1.23006   122.28221  -146.66630
   24    20 S   CT   _CB2    32     1.53523   111.20200   106.88008
   25    24 S   HC   HB21    33     1.09516   109.48706    58.61055
   26    24 S   HC   HB22    34     1.09513   110.63533   176.77014
   27    22 S   N    _N3_    24     1.38528   113.33154    40.78360
   28    27 S   H    _HN3    25     1.01530   118.87537    -0.62370
   29    24 S   S    _SG2    35     1.82994   111.26527   -63.98477
   30    27 S   CT   _CA3    26     1.45447   123.45035   175.08131
   31    30 S   HC   HA31    27     1.09523   109.22583    24.49787
   32    30 S   HC   HA32    28     1.09495   107.12078   141.50061
   33    29 S   CT   _C23    36     1.86485   100.48804   137.35347
   34    33 S   HC   _H4_    37     1.08567   104.15379   -32.05677
   35    30 S   CO3  _C3_    29     1.52927   113.14036   -98.97339
   36    35 S   O2Z  _O31    30     1.26401   115.42061   -44.06137
   37    35 S   O2Z  _O32    31     1.26358   114.97469   136.89048
   38    33 S   CM   _C22    38     1.51906   106.29783    82.80256
   39    38 S   CMA  _C21    39     1.35191   121.77045    90.44290
   40    39 S   OM   _O37    40     1.26041   132.09749  -177.06195
   41    38 S   OS   _O36    83     1.38719   116.42318   -85.70958
   42    39 S   CM   _C20    41     1.46159   116.76512     2.70841
   43    42 S   HC   _H24    42     1.08954   118.23611  -165.16296
   44    41 S   CT   _C24    84     1.42557   110.81420   -83.16672
   45    44 S   HC   _H25    85     1.09399   107.84539  -171.03481
   46    44 S   HC   _H26    86     1.09395   110.95433    71.03368
   47    44 S   HC   _H27    87     1.09563   111.62076   -52.46195
   48    42 S   CM   _C19    43     1.35023   122.67410    19.21179
   49    48 S   CT   _C18    44     1.50686   121.60980   172.15187
   50    49 S   HC   _H3_    45     1.09963   108.61701     4.51262
   51    33 S   CT   _C7_    59     1.60139   115.12699  -152.32120
   52    49 S   CT   _C17    46     1.54278   109.86247  -110.64064
   53    52 S   HC   _H22    47     1.09841   111.92153   -95.38762
   54    52 S   HC   _H23    48     1.09881   107.70449   149.26341
   55    51 S   CT   _C6_    60     1.56588   112.82169    42.66854
   56    55 S   HC   _H10    61     1.09907   110.48667   141.90338
   57    55 S   HC   _H11    62     1.09667   110.69498    26.33274
   58    49 S   NT   _N4_    66     1.47230   114.76517   127.56765
   59    52 S   CT   _C16    49     1.53257   113.36409    28.76210
   60    59 S   HC   _H20    50     1.09877   105.67590   158.30949
   61    59 S   HC   _H21    51     1.09597   112.44802    43.65128
   62    55 S   CT   _C5_    63     1.53695   114.26328   -97.50976
   63    62 S   HC   _H8_    64     1.09450   109.79452    66.42296
   64    62 S   HC   _H9_    65     1.09684   108.39858  -177.95311
   65    58 S   CT   _C4_    67     1.46150   112.23689  -108.74198
   66    65 S   HC   _H5_    68     1.09572   110.55742   -59.18290
   67    65 S   HC   _H6_    69     1.09581   110.65953  -176.94905
   68    65 S   HC   _H7_    70     1.09596   112.05217    61.90688
   69    59 S   CA   _C9_    52     1.52433   114.11966   -82.71158
   70    69 S   CA   _C10    53     1.41879   114.38130  -139.74444
   71    70 S   HA   _H12    54     1.08746   118.02188    -4.83699
   72    70 S   CA   _C11    55     1.39063   121.98721   174.26431
   73    72 S   CA   _C12    56     1.38973   118.10515    -2.93225
   74    72 S   OS   _O35    78     1.36921   125.88899   179.01603
   75    73 S   CA   _C13    57     1.40319   121.13058     2.30698
   76    73 S   OH   _O34    76     1.37228   119.63621  -178.74539
   77    76 S   HO   _H16    77     0.97370   107.40917     0.53814
   78    74 S   CT   _C15    79     1.42272   116.97777    -4.63996
   79    78 S   HC   _H17    80     1.09428   107.73529  -177.07377
   80    78 S   HC   _H18    81     1.09488   111.02218    65.27140
   81    78 S   HC   _H19    82     1.09509   111.25386   -59.26432
   82    69 S   CA   _C8_    58     1.42611   125.69474    38.63706
   83    75 S   OS   _O33    71     1.37585   118.55379  -175.62002
   84    83 S   CT   _C14    72     1.42937   111.62880    71.75729
   85    84 S   HC   _H13    73     1.09321   107.52837   159.00116
   86    84 S   HC   _H14    74     1.09576   112.26921    40.22223
   87    84 S   HC   _H15    75     1.09371   110.86997   -83.62754
  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
  17   7   2   1   1  13   8   4   6   9   3   3   2   1   1  16
  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2   1
   3   2   1   1   8   8   4  11   8   6   8   3   1   3   2   1
   1   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    82    51    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    69    75    82    51    55    56    57    62    41    44  
   38    39    48    82    51    55    41  
   36    37  
   37  
    0  
   39    40    42    43    48    82    51    55    41    44    45    46    47  
   40    42    43    48    49    51    41    44  
   42    43    48    41  
   44    45    46    47    42    51  
   43    48    49    50    52    82    51    55    58  
   48    49    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    52    53    54    59    69    75    82    51    55    56    57    62    58    65  
   50    52    53    54    59    60    61    69    82    51    55    62    63    64    58    65    66    67    68  
   52    53    54    59    51    62    58    65  
   55    56    57    62    63    64    58    83    52    59    69    70    73    75    82  
   53    54    59    60    61    69    70    82    62    58    65  
   54    59    60    61    69    58  
   59    60    61    69    58  
   56    57    62    63    64    58    65    69    75    82  
   57    62    63    64    58    82  
   62    63    64    58    82  
   65    66    67    68    59    62    63    64  
   60    61    69    70    71    72    75    82  
   61    69    70    82  
   69    70    82  
   63    64    65    66    67    68    82  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    75    82    83    74  
   71    72    73    75    82    76    74    78  
   72    73    82    74  
   73    75    82    83    76    77    74    78    79    80    81  
   75    82    83    84    76    77    74    78  
   78    79    80    81    75    76  
   82    83    84    85    86    87    76    77  
   77    82    83  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    58   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    69   317.000  1.510
   69    70   469.000  1.400
   69    82   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    76   450.000  1.364
   75    82   469.000  1.400
   75    83   450.000  1.364
   82    51   317.000  1.510
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    58   382.000  1.448
   58    65   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   83    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    77   553.000  0.945
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    48    70.00000  112.02700
   33    51    82    70.00000  112.17500
   33    51    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    44    90.00000  111.18400
   39    42    43    40.00000  120.50800
   39    42    48    70.00000  117.34000
   42    39    40    65.00000  137.10300
   42    48    49    70.00000  124.00000
   42    48    51    70.00000  124.00000
   48    42    43    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    52    70.00000  112.02700
   48    49    58    75.00000  110.70900
   48    51    82    70.00000  112.99600
   48    51    55    70.00000  112.02700
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    58.35000  112.70000
   49    58    62    51.80000  107.20000
   49    58    65    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    69    70.00000  112.17500
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    69    70    70.00000  120.00000
   59    69    82    70.00000  120.00000
   61    59    60    33.00000  107.80000
   69    59    60    35.00000  109.50000
   69    59    61    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    82    75    63.00000  120.00000
   69    82    51    70.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    76    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    82    63.00000  120.00000
   73    75    83    70.00000  120.00000
   73    76    77    35.00000  113.00000
   75    82    51    70.00000  120.00000
   75    83    84    75.00000  111.00000
   82    69    70    63.00000  120.00000
   82    51    55    70.00000  112.17500
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    48    49    65.00000  117.92700
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    62    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    58    56.20000  109.47000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    58    65    51.80000  107.20000
   64    62    63    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    52    56.20000  109.47000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   83    75    82    70.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    73    75    70.00000  120.00000
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    82   0.56750  1.0 1.0
   29    33    51    82  -0.07550 -1.0 2.0
   29    33    51    82   0.20000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    62   0.56750  1.0 1.0
   33    51    55    62  -0.07550 -1.0 2.0
   33    51    55    62   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    82   0.43200  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33    51    48   0.31000  1.0 1.0
   38    33    51    48   0.14700 -1.0 2.0
   38    33    51    48   0.07550  1.0 3.0
   38    33    51    82   0.21200  1.0 1.0
   38    33    51    82   0.16900 -1.0 2.0
   38    33    51    82  -1.15100  1.0 3.0
   38    33    51    55   0.34400  1.0 1.0
   38    33    51    55   0.09450 -1.0 2.0
   38    33    51    55   0.11100  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    41    44    45   0.08050  1.0 3.0
   38    41    44    46   0.08050  1.0 3.0
   38    41    44    47   0.08050  1.0 3.0
   39    38    41    44  -2.26850  1.0 1.0
   39    38    41    44   3.39050 -1.0 2.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.00000  1.0 1.0
   42    48    49    52   0.09850  1.0 1.0
   42    48    49    52   0.15250 -1.0 2.0
   42    48    49    52  -0.50650  1.0 3.0
   42    48    49    58   0.90200  1.0 1.0
   42    48    49    58   0.57900 -1.0 2.0
   42    48    49    58  -0.62100  1.0 3.0
   42    48   -51    33   0.09850  1.0 1.0
   42    48   -51    33   0.15250 -1.0 2.0
   42    48   -51    33  -0.50650  1.0 3.0
   42    48    51    82   1.44450  1.0 1.0
   42    48    51    82   0.06600 -1.0 2.0
   42    48    51    82   0.29250  1.0 3.0
   42    48    51    55   0.09850  1.0 1.0
   42    48    51    55   0.15250 -1.0 2.0
   42    48    51    55  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    59   0.34400  1.0 1.0
   48    49    52    59   0.09450 -1.0 2.0
   48    49    52    59   0.11100  1.0 3.0
   48    49    58    62  -0.60800  1.0 1.0
   48    49    58    62   1.10050 -1.0 2.0
   48    49    58    62   0.47000  1.0 3.0
   48    49    58    65  -0.60800  1.0 1.0
   48    49    58    65   1.10050 -1.0 2.0
   48    49    58    65   0.47000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    62   0.34400  1.0 1.0
   48    51   -55    62   0.09450 -1.0 2.0
   48    51   -55    62   0.11100  1.0 3.0
   49    48    51    33   0.46850  1.0 1.0
   49    48    51    33   0.08550 -1.0 2.0
   49    48    51    33   0.09800  1.0 3.0
   49    48    51    82   0.09700  1.0 1.0
   49    48    51    82   0.15600 -1.0 2.0
   49    48    51    82  -0.50800  1.0 3.0
   49    48    51    55   0.46850  1.0 1.0
   49    48    51    55   0.08550 -1.0 2.0
   49    48    51    55   0.09800  1.0 3.0
   49    52    59    60   0.15000  1.0 3.0
   49    52    59    61   0.15000  1.0 3.0
   49    52    59    69  -0.03700  1.0 1.0
   49    52    59    69   0.37200 -1.0 2.0
   49    52    59    69  -0.47300  1.0 3.0
   49    58    65    66   0.28000  1.0 3.0
   49    58    65    67   0.28000  1.0 3.0
   49    58    65    68   0.28000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.15000  1.0 3.0
   50    49    58    62   0.28000  1.0 3.0
   50    49    58    65   0.28000  1.0 3.0
   52    49    58    62   0.23450  1.0 1.0
   52    49    58    62   0.02050 -1.0 2.0
   52    49    58    62   0.25250  1.0 3.0
   52    49    58    65   0.23450  1.0 1.0
   52    49    58    65   0.02050 -1.0 2.0
   52    49    58    65   0.25250  1.0 3.0
   52    59    69    70   0.04150 -1.0 2.0
   52    59    69    82   0.04150 -1.0 2.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    69   0.43200  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    69   0.43200  1.0 3.0
   59    69    70    71   3.62500 -1.0 2.0
   59    69    70    72   3.62500 -1.0 2.0
   59    69    82    75   3.62500 -1.0 2.0
   59    69    82    51   3.62500 -1.0 2.0
   60    59    69    70   0.00000  1.0 1.0
   60    59    69    82   0.00000  1.0 1.0
   61    59    69    70   0.00000  1.0 1.0
   61    59    69    82   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   69    82    51    33   0.04150 -1.0 2.0
   69    82    51    48   0.18050 -1.0 2.0
   69    82    51    55   0.04150 -1.0 2.0
   70    69    82    75   3.62500 -1.0 2.0
   70    69    82    51   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73    75    82   3.62500 -1.0 2.0
   72    73    75    83   3.62500 -1.0 2.0
   72    73    76    77   0.84100 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    75   -82    69   3.62500 -1.0 2.0
   73    75    82    51   3.62500 -1.0 2.0
   73    75    83    84   1.63200 -1.0 2.0
   75    73    76    77   0.84100 -1.0 2.0
   75    82    51    33   0.04150 -1.0 2.0
   75    82    51    48   0.18050 -1.0 2.0
   75    82    51    55   0.04150 -1.0 2.0
   75    83    84    85   0.08050  1.0 3.0
   75    83    84    86   0.08050  1.0 3.0
   75    83    84    87   0.08050  1.0 3.0
   82    69    70    71   3.62500 -1.0 2.0
   82    69   -70    72   3.62500 -1.0 2.0
   82    75    83    84   1.63200 -1.0 2.0
   82    51    55    56   0.43200  1.0 3.0
   82    51    55    57   0.43200  1.0 3.0
   82    51    55    62  -0.03700  1.0 1.0
   82    51    55    62   0.37200 -1.0 2.0
   82    51    55    62  -0.47300  1.0 3.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    48    49    50   0.34800  1.0 3.0
   51    48    49    52   0.46850  1.0 1.0
   51    48    49    52   0.08550 -1.0 2.0
   51    48    49    52   0.09800  1.0 3.0
   51    48    49    58   0.52100  1.0 1.0
   51    48    49    58  -0.20350 -1.0 2.0
   51    48    49    58   0.29750  1.0 3.0
   51    55    62    63   0.15000  1.0 3.0
   51    55    62    64   0.15000  1.0 3.0
   51    55   -62    58   1.53400  1.0 1.0
   51    55   -62    58  -0.09950 -1.0 2.0
   51    55   -62    58   0.05700  1.0 3.0
   55    62   -58    49   0.23450  1.0 1.0
   55    62   -58    49   0.02050 -1.0 2.0
   55    62   -58    49   0.25250  1.0 3.0
   55    62    58    65   0.58650  1.0 1.0
   55    62    58    65   0.12600 -1.0 2.0
   55    62    58    65   0.33350  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    58   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    58   0.15000  1.0 3.0
   62    58    65    66   0.28000  1.0 3.0
   62    58    65    67   0.28000  1.0 3.0
   62    58    65    68   0.28000  1.0 3.0
   63    62    58    49   0.28000  1.0 3.0
   63    62    58    65   0.28000  1.0 3.0
   64    62    58    49   0.28000  1.0 3.0
   64    62    58    65   0.28000  1.0 3.0
   58    49    52    53   0.15000  1.0 3.0
   58    49    52    54   0.15000  1.0 3.0
   58    49    52    59   1.53400  1.0 1.0
   58    49    52    59  -0.09950 -1.0 2.0
   58    49    52    59   0.05700  1.0 3.0
   83    75    82    69   3.62500 -1.0 2.0
   83    75    82    51   3.62500 -1.0 2.0
   76    73    75    82   3.62500 -1.0 2.0
   76    73    75    83   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   49    51    48    42   1.10000 -1.0 2.0
   70    82    69    59   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    76    73    72   4.00000 -1.0 2.0
   82    83    75    73   4.00000 -1.0 2.0
   75    51    82    69   4.00000 -1.0 2.0
END
