* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    153    243     450
    1     0 S   NP   _N1_     1    29.09118    95.44372   -26.72237
    2     1 S   H    _HN1     2     1.02804   126.85254  -100.54709
    3     1 S   H    _H1_     3     1.02945    76.05169     2.14348
    4     1 S   H    _H2_     4     1.02824    32.18520  -162.45229
    5     1 S   CT   _CA1     5     1.50128   115.30663   108.44034
    6     5 S   HC   _HA1     6     1.09576   105.14485    93.98448
    7     5 S   CO3  _C1_     7     1.53738   112.46283   -26.22202
    8     7 S   O2Z  _O11     8     1.26375   115.00937   -43.24079
    9     7 S   O2Z  _O12     9     1.26231   114.92800   135.71208
   10     5 S   CT   _CB1    10     1.53043   107.40063  -148.07461
   11    10 S   HC   HB11    11     1.09851   109.26825   -49.42508
   12    10 S   HC   HB12    12     1.09811   110.50584    67.13089
   13    10 S   CT   _CG1    13     1.53068   112.69380  -170.34241
   14    13 S   HC   HG11    14     1.09556   110.83128   -69.06533
   15    13 S   HC   HG12    15     1.09663   109.63240    50.20623
   16    13 S   C    _CD1    16     1.51819   111.66117   170.75019
   17    16 S   O    _OE1    17     1.22785   123.02913    18.02832
   18    16 S   N    _N2_    18     1.38631   112.05410  -161.87446
   19    18 S   H    _HN2    19     1.01579   119.06107     0.07402
   20    18 S   CT1  _CA2    20     1.46249   123.29721   175.18139
   21    20 S   HC   _HA2    21     1.09741   109.24032     9.62962
   22    20 S   C    _C2_    22     1.53776   108.88207  -105.83298
   23    22 S   O    _O2_    23     1.23088   122.23123  -149.39248
   24    20 S   CT   _CB2    32     1.53383   111.75724   131.68411
   25    24 S   HC   HB21    33     1.09448   109.78938    57.41045
   26    24 S   HC   HB22    34     1.09470   109.67844   176.17198
   27    22 S   N    _N3_    24     1.38298   113.93862    38.09104
   28    27 S   H    _HN3    25     1.01516   119.63437    -3.02821
   29    24 S   S    _SG2    35     1.82917   111.32583   -64.19007
   30    27 S   CT   _CA3    26     1.45277   123.39181   177.35662
   31    30 S   HC   HA31    27     1.09544   107.49584   -65.57876
   32    30 S   HC   HA32    28     1.09552   108.04207    50.91811
   33    29 S   CT   _C16    36     1.89759   100.76022   177.10633
   34    30 S   CO3  _C3_    29     1.53003   113.95930   172.92327
   35    34 S   O2Z  _O31    30     1.26399   116.07359    -0.62055
   36    34 S   O2Z  _O32    31     1.26421   114.42429   179.44187
   37    33 S   CM   _C15    37     1.50983   105.20797   -78.17783
   38    37 S   HC   _H8_    38     1.09038   115.33944    62.89104
   39    33 S   CT   _C17    74     1.55369   109.65564   159.88434
   40    39 S   HC   _H3_    75     1.09365   109.55041  -152.60985
   41    33 S   OS   _O38    80     1.44164   107.24267    41.97317
   42    37 S   CMA  _C14    39     1.35466   128.01741  -117.16847
   43    42 S   OM   _O39    40     1.27087   125.82561   178.48884
   44    39 S   OH   _O37    76     1.43676   111.13171   -38.73827
   45    44 S   HO   _H10    77     0.97293   106.82408   -46.05627
   46    41 S   CT   _C20    81     1.42233   116.69656  -162.48774
   47    46 S   HC   _H11    82     1.09383   107.72454  -173.11615
   48    46 S   HC   _H12    83     1.09358   110.87015    69.40069
   49    46 S   HC   _H13    84     1.09185   112.17782   -54.44115
   50    42 S   CT   _C13    41     1.61190   118.69216    -1.81186
   51    50 S   OM   _O40    42     1.33920   111.28402   145.60712
   52    50 S   CMA  _C12    43     1.61820   114.19709   -93.09586
   53    52 S   OM   _O34    44     1.26862   113.27024   -25.03248
   54    52 S   CM   _C10    45     1.36516   118.13763   155.02150
   55    54 S   CM   _C9_    46     1.45037   123.54774     0.69154
   56    54 S   CO4  _C11    56     1.51189   120.21609  -178.76663
   57    56 S   O    _O33    57     1.22492   122.97183    32.34261
   58    55 S   CM   _C8_    47     1.34085   122.01961   163.83636
   59    58 S   HC   _H7_    48     1.08575   121.80284   179.53691
   60    55 S   CO4  _C19    71     1.49165   119.93045   -17.41945
   61    60 S   O    _O35    72     1.23171   121.47887   177.24019
   62    58 S   CA   _C7_    49     1.46631   120.77468    -2.40322
   63    50 S   CT   _C18    73     1.58883   108.24256    28.27351
   64    62 S   CA   _C21    50     1.39981   118.78011  -170.77751
   65    64 S   HA   _H14    51     1.08771   120.15843    -0.07913
   66    63 S   OH   _O36    78     1.43664   111.59195    65.45908
   67    66 S   HO   _H9_    79     0.97269   106.97061  -172.91773
   68    64 S   CA   _C22    52     1.39090   119.98662  -179.71676
   69    68 S   CA   _C23    53     1.39779   120.28004    -0.76208
   70    68 S   OH   _O43    69     1.36836   119.93773   178.85876
   71    70 S   HO   _H18    70     0.97238   109.00338     0.94915
   72    69 S   CA   _C5_    54     1.41191   121.22101    -0.67202
   73    69 S   CO4  _C24    62     1.47168   117.68435   179.88465
   74    73 S   O    _O41    63     1.21832   123.99658    71.88008
   75    62 S   CA   _C6_    55     1.41004   121.25372     9.58833
   76    72 S   CT   _C4_    58     1.50784   120.40205  -177.28401
   77    76 S   HC   _H4_    59     1.09423   110.21224  -100.20353
   78    76 S   HC   _H5_    60     1.09419   112.43106    20.53314
   79    76 S   HC   _H6_    61     1.09495   110.83291   137.87696
   80    73 S   OS   _O42    64     1.35625   107.50330  -107.16069
   81    80 S   CT   _C25    65     1.42993   114.83971   179.50032
   82    81 S   HC   _H15    66     1.09327   108.12544   179.73459
   83    81 S   HC   _H16    67     1.09431   110.29353    61.03183
   84    81 S   HC   _H17    68     1.09428   110.29361   -61.54140
  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  10   5   4   3
  17   2   1   1  12   5  15   7   7   9   4   5   1   3   2   1
   1  11   6  10   4  11  11   9   3  10   4   5   2   8   2   8
   4   1   1   9  12   3   1   8   8   2   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    63    39    40    44    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    50    60    63    39    40    44    45    66    41    46    47    48    49  
   35    36  
   36  
    0  
   38    42    43    50    51    52    63    39    40    44    41    46  
   42    43    50    39    41  
   40    44    45    66    67    41    46    42    50    51    52    55    60    61    63  
   44    45    66    41    50    60    63  
   46    47    48    49    42    44    63  
   43    50    51    52    53    54    60    63    66  
   50    51    52    63  
   45    66    50    60    63  
   63  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    60    61    63    66    67  
   52    53    54    60    63    66  
   53    54    55    58    75    56    57    60    63    66  
   54    55    56    63  
   55    58    59    62    72    75    56    57    60    61    63  
   58    59    62    64    75    56    57    60    61    63    66  
   57    76    60    58    62    64    69    72    75  
   62    72    75  
   59    62    64    65    68    72    75    60    61    63  
   62    64    75    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    72    75    76    70  
   66    67  
   65    68    69    72    75    73    70    71  
   68    69    75    70  
   67  
    0  
   69    72    75    76    73    74    80    70    71  
   72    75    76    77    78    79    73    74    80    81    70    71  
   71    72    73  
    0  
   75    76    77    78    79    73    74    80  
   74    80    81    82    83    84    75    76  
   80    81  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   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   0.417900   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  -0.785200   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.470000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    51   570.000  1.307
   50    52   270.000  1.512
   50    63   268.000  1.529
   52    53   745.000  1.250
   52    54   465.000  1.376
   54    55   380.000  1.444
   54    56   320.000  1.462
   55    58   549.000  1.340
   55    60   320.000  1.462
   58    59   340.000  1.080
   58    62   320.000  1.460
   62    64   469.000  1.400
   62    75   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    72   469.000  1.400
   69    73   310.000  1.470
   72    75   469.000  1.400
   72    76   317.000  1.510
   75    56   310.000  1.470
   56    57   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   73    74   570.000  1.229
   73    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   553.000  0.945
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    39   268.000  1.529
   63    66   320.000  1.410
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   66    67   553.000  0.945
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    63    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    46    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    50    51    85.00000  110.90400
   42    50    52    70.00000  110.12100
   42    50    63    70.00000  112.02700
   50    42    43    85.00000  112.85300
   50    52    53    85.00000  112.85300
   50    52    54    65.00000  122.18000
   50    63    60    63.00000  111.10000
   50    63    39    58.35000  112.70000
   50    63    66    50.00000  109.50000
   52    50    51    85.00000  110.90400
   52    54    55    70.00000  117.34000
   52    54    56    60.00000  125.92000
   54    52    53    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    75    65.00000  117.02400
   54    56    57    80.00000  123.72100
   55    58    59    35.00000  120.00000
   55    58    62    60.00000  123.20500
   55    60    61    80.00000  123.72100
   55    60    63    65.00000  118.62400
   58    62    64    60.00000  120.93500
   58    62    75    60.00000  120.93500
   62    58    59    40.00000  117.26300
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    75    72    63.00000  120.00000
   62    75    56    60.00000  119.52600
   64    68    69    63.00000  120.00000
   64    68    70    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    72    63.00000  120.00000
   68    69    73    60.00000  119.52600
   68    70    71    35.00000  113.00000
   69    72    75    63.00000  120.00000
   69    72    76    70.00000  120.00000
   69    73    74    75.00000  123.78400
   69    73    80    81.00000  111.40000
   72    75    56    60.00000  119.52600
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   75    62    64    63.00000  120.00000
   75    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   76    72    75    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   73    69    72    60.00000  119.52600
   73    80    81    83.00000  116.90000
   80    73    74    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    68    69    70.00000  120.00000
   60    55    58    65.00000  118.96000
   60    63    39    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    50    51    50.00000  109.50000
   63    50    52    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    39    40    37.50000  110.70000
   63    39    44    50.00000  109.50000
   63    66    67    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   66    63    39    50.00000  109.50000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    46   0.14700  1.0 1.0
   29    33    41    46  -1.16150 -1.0 2.0
   29    33    41    46   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   0.37050  1.0 3.0
   33    41    46    48   0.37050  1.0 3.0
   33    41    46    49   0.37050  1.0 3.0
   37    33    39    63   0.34400  1.0 1.0
   37    33    39    63   0.09450 -1.0 2.0
   37    33    39    63   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    33    41    46  -0.77900  1.0 1.0
   37    33    41    46  -0.36900 -1.0 2.0
   37    33    41    46   0.40400  1.0 3.0
   37    42    50    51   0.39000  1.0 1.0
   37    42    50    51  -0.05800 -1.0 2.0
   37    42    50    51  -0.55150  1.0 3.0
   37    42    50    52  -0.28300  1.0 1.0
   37    42    50    52   0.26700 -1.0 2.0
   37    42    50    52  -0.63300  1.0 3.0
   37    42   -50    63   0.09850  1.0 1.0
   37    42   -50    63   0.15250 -1.0 2.0
   37    42   -50    63  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    50   7.00000 -1.0 2.0
   42    50    52    53   0.09700  1.0 1.0
   42    50    52    53   0.15600 -1.0 2.0
   42    50    52    53  -0.50800  1.0 3.0
   42    50    52    54  -0.28300  1.0 1.0
   42    50    52    54   0.26700 -1.0 2.0
   42    50    52    54  -0.63300  1.0 3.0
   42    50    63    60  -0.98800  1.0 1.0
   42    50    63    60   0.48800 -1.0 2.0
   42    50    63    60   0.76800  1.0 3.0
   42    50    63    39   0.34400  1.0 1.0
   42    50    63    39   0.09450 -1.0 2.0
   42    50    63    39   0.11100  1.0 3.0
   42    50    63    66   1.05650  1.0 1.0
   42    50    63    66   0.15600 -1.0 2.0
   42    50    63    66   0.53150  1.0 3.0
   43    42    50    51   0.09700  1.0 1.0
   43    42    50    51   0.15600 -1.0 2.0
   43    42    50    51  -0.50800  1.0 3.0
   43    42    50    52   0.09700  1.0 1.0
   43    42    50    52   0.15600 -1.0 2.0
   43    42    50    52  -0.50800  1.0 3.0
   43    42    50    63   0.09700  1.0 1.0
   43    42    50    63   0.15600 -1.0 2.0
   43    42    50    63  -0.50800  1.0 3.0
   50    52    54    55   7.00000 -1.0 2.0
   50    52    54    56   7.00000 -1.0 2.0
   50    63   -39    33   0.56750  1.0 1.0
   50    63   -39    33  -0.07550 -1.0 2.0
   50    63   -39    33   0.20000  1.0 3.0
   50    63    39    40   0.15000  1.0 3.0
   50    63    39    44   0.86500  1.0 1.0
   50    63    39    44  -0.17500 -1.0 2.0
   50    63    39    44   0.20800  1.0 3.0
   50    63    66    67  -0.11600  1.0 1.0
   50    63    66    67  -0.09450 -1.0 2.0
   50    63    66    67   0.21250  1.0 3.0
   51    50    52    53   0.09700  1.0 1.0
   51    50    52    53   0.15600 -1.0 2.0
   51    50    52    53  -0.50800  1.0 3.0
   51    50    52    54   0.39000  1.0 1.0
   51    50    52    54  -0.05800 -1.0 2.0
   51    50    52    54  -0.55150  1.0 3.0
   51    50    63    60  -0.09450  1.0 1.0
   51    50    63    60  -1.12950 -1.0 2.0
   51    50    63    60   0.54000  1.0 3.0
   51    50    63    39   0.62750  1.0 1.0
   51    50    63    39  -0.30950 -1.0 2.0
   51    50    63    39   0.27300  1.0 3.0
   51    50    63    66   3.69350  1.0 1.0
   51    50    63    66  -1.82950 -1.0 2.0
   52    50    63    60  -0.98800  1.0 1.0
   52    50    63    60   0.48800 -1.0 2.0
   52    50    63    60   0.76800  1.0 3.0
   52    50    63    39   0.34400  1.0 1.0
   52    50    63    39   0.09450 -1.0 2.0
   52    50    63    39   0.11100  1.0 3.0
   52    50    63    66   1.05650  1.0 1.0
   52    50    63    66   0.15600 -1.0 2.0
   52    50    63    66   0.53150  1.0 3.0
   52    54    55    58   0.28850  1.0 1.0
   52    54    55    58   2.61350 -1.0 2.0
   52    54    55    58   0.78400  1.0 3.0
   52    54   -55    60  -0.18600  1.0 3.0
   52    54    56    75  -1.65800  1.0 1.0
   52    54    56    75   0.77650 -1.0 2.0
   52    54    56    57   1.00000 -1.0 2.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    55    58    59   7.00000 -1.0 2.0
   54    55    58    62   7.00000 -1.0 2.0
   54    55    60    61   1.00000 -1.0 2.0
   54    55    60    63  -0.33500  1.0 1.0
   54    55    60    63   1.06600 -1.0 2.0
   54    55    60    63  -0.14000  1.0 3.0
   55    54    56    75  -1.65800  1.0 1.0
   55    54    56    75   0.77650 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    58    62    64   0.15800  1.0 1.0
   55    58    62    64   1.85350 -1.0 2.0
   55    58    62    64  -0.48700  1.0 3.0
   55    58   -62    75   0.15800  1.0 1.0
   55    58   -62    75   1.85350 -1.0 2.0
   55    58   -62    75  -0.48700  1.0 3.0
   55    60   -63    50   0.65300  1.0 1.0
   55    60   -63    50  -0.03850 -1.0 2.0
   55    60   -63    50   0.33900  1.0 3.0
   55    60    63    39   0.65300  1.0 1.0
   55    60    63    39  -0.03850 -1.0 2.0
   55    60    63    39   0.33900  1.0 3.0
   55    60    63    66   0.65300  1.0 1.0
   55    60    63    66  -0.03850 -1.0 2.0
   55    60    63    66   0.33900  1.0 3.0
   58    55    60    61   1.00000 -1.0 2.0
   58    55    60    63  -0.33500  1.0 1.0
   58    55    60    63   1.06600 -1.0 2.0
   58    55    60    63  -0.14000  1.0 3.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    75    72   3.62500 -1.0 2.0
   58    62    75    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    75   0.56550  1.0 3.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    70   3.62500 -1.0 2.0
   62    75   -56    54  -0.11500  1.0 1.0
   62    75   -56    54   1.10450 -1.0 2.0
   62    75   -56    54  -0.48050  1.0 3.0
   62    75    56    57   1.05000 -1.0 2.0
   64    62    75    72   3.62500 -1.0 2.0
   64    62    75    56   3.62500 -1.0 2.0
   64    68   -69    72   3.62500 -1.0 2.0
   64    68    69    73   3.62500 -1.0 2.0
   64    68    70    71   0.84100 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    69    72    75   3.62500 -1.0 2.0
   68    69    72    76   3.62500 -1.0 2.0
   68    69    73    74   1.05000 -1.0 2.0
   68    69    73    80   0.98750 -1.0 2.0
   69    68    70    71   0.84100 -1.0 2.0
   69    72   -75    62   3.62500 -1.0 2.0
   69    72    75    56   3.62500 -1.0 2.0
   69    72    76    77   0.00000  1.0 1.0
   69    72    76    78   0.00000  1.0 1.0
   69    72    76    79   0.00000  1.0 1.0
   69    73    80    81   0.59950  1.0 1.0
   69    73    80    81   3.24850 -1.0 2.0
   72    69    73    74   1.05000 -1.0 2.0
   72    69    73    80   0.98750 -1.0 2.0
   72    75    56    54  -0.11500  1.0 1.0
   72    75    56    54   1.10450 -1.0 2.0
   72    75    56    54  -0.48050  1.0 3.0
   72    75    56    57   1.05000 -1.0 2.0
   75    62    64    65   3.62500 -1.0 2.0
   75    62   -64    68   3.62500 -1.0 2.0
   75    72    76    77   0.00000  1.0 1.0
   75    72    76    78   0.00000  1.0 1.0
   75    72    76    79   0.00000  1.0 1.0
   56    54   -55    58  -0.18600  1.0 3.0
   56    54    55    60   1.08500 -1.0 2.0
   76    72    75    62   3.62500 -1.0 2.0
   76    72    75    56   3.62500 -1.0 2.0
   73    69    72    75   3.62500 -1.0 2.0
   73    69    72    76   3.62500 -1.0 2.0
   73    80    81    82   0.08050  1.0 3.0
   73    80    81    83   0.08050  1.0 3.0
   73    80    81    84   0.08050  1.0 3.0
   74    73    80    81   3.00000 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    68    69    73   3.62500 -1.0 2.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    62   7.00000 -1.0 2.0
   60    63    39    33  -0.95700  1.0 1.0
   60    63    39    33  -0.18200 -1.0 2.0
   60    63    39    33   0.29450  1.0 3.0
   60    63    39    40  -0.11250  1.0 3.0
   60    63    39    44  -0.09450  1.0 1.0
   60    63    39    44  -1.12950 -1.0 2.0
   60    63    39    44   0.54000  1.0 3.0
   60    63    66    67   0.91850  1.0 1.0
   60    63    66    67   0.57950  1.0 3.0
   61    60    63    50   0.30150 -1.0 2.0
   61    60    63    39   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    50    52    53   0.09700  1.0 1.0
   63    50    52    53   0.15600 -1.0 2.0
   63    50    52    53  -0.50800  1.0 3.0
   63    50   -52    54   0.09850  1.0 1.0
   63    50   -52    54   0.15250 -1.0 2.0
   63    50   -52    54  -0.50650  1.0 3.0
   63    39    44    45  -0.11600  1.0 1.0
   63    39    44    45  -0.09450 -1.0 2.0
   63    39    44    45   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    42   0.09850  1.0 1.0
   39    33   -37    42   0.15250 -1.0 2.0
   39    33   -37    42  -0.50650  1.0 3.0
   39    33    41    46   0.06250  1.0 1.0
   39    33    41    46  -0.01100 -1.0 2.0
   39    33    41    46   0.28050  1.0 3.0
   39    63    66    67  -0.11600  1.0 1.0
   39    63    66    67  -0.09450 -1.0 2.0
   39    63    66    67   0.21250  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   66    63    39    33   0.86500  1.0 1.0
   66    63    39    33  -0.17500 -1.0 2.0
   66    63    39    33   0.20800  1.0 3.0
   66    63    39    40   0.23400  1.0 3.0
   66    63    39    44   3.75450  1.0 1.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    63   0.62750  1.0 1.0
   41    33    39    63  -0.30950 -1.0 2.0
   41    33    39    63   0.27300  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   3.69350  1.0 1.0
   41    33    39    44  -1.82950 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    56    54    52   1.10000 -1.0 2.0
   54    60    55    58   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    75    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   69    70    68    64   4.00000 -1.0 2.0
   72    73    69    68   4.00000 -1.0 2.0
   75    76    72    69   4.00000 -1.0 2.0
   72    56    75    62   4.00000 -1.0 2.0
   54    75    56    57  10.50000 -1.0 2.0
   69    80    73    74  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
