* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    166    243     484
    1     0 S   NP   _N1_     1    29.61013    97.48716   -23.97196
    2     1 S   H    _HN1     2     1.02799   117.26918  -122.58187
    3     1 S   H    _H1_     3     1.02947    77.72336   -18.07352
    4     1 S   H    _H2_     4     1.02826    29.41188   159.56451
    5     1 S   CT   _CA1     5     1.50130   123.91699    88.41886
    6     5 S   HC   _HA1     6     1.09574   105.15726    89.02701
    7     5 S   CO3  _C1_     7     1.53764   112.46209   -31.18795
    8     7 S   O2Z  _O11     8     1.26379   115.00541   -42.76636
    9     7 S   O2Z  _O12     9     1.26235   114.94552   136.21519
   10     5 S   CT   _CB1    10     1.53041   107.38564  -153.01283
   11    10 S   HC   HB11    11     1.09845   109.31728   -49.28596
   12    10 S   HC   HB12    12     1.09811   110.48369    67.29840
   13    10 S   CT   _CG1    13     1.53026   112.65607  -170.20780
   14    13 S   HC   HG11    14     1.09565   110.76360   -67.75514
   15    13 S   HC   HG12    15     1.09668   109.68327    51.51413
   16    13 S   C    _CD1    16     1.51804   111.87330   172.00571
   17    16 S   O    _OE1    17     1.22739   123.09974    13.82168
   18    16 S   N    _N2_    18     1.38596   111.89803  -166.14696
   19    18 S   H    _HN2    19     1.01562   118.99449     0.79844
   20    18 S   CT1  _CA2    20     1.46256   123.44699   176.30541
   21    20 S   HC   _HA2    21     1.09748   109.41012     8.92170
   22    20 S   C    _C2_    22     1.53704   108.48017  -106.60676
   23    22 S   O    _O2_    23     1.23100   122.35744  -146.38720
   24    20 S   CT   _CB2    32     1.53455   111.55156   131.09599
   25    24 S   HC   HB21    33     1.09504   109.64016    56.65176
   26    24 S   HC   HB22    34     1.09323   109.65549   175.42098
   27    22 S   N    _N3_    24     1.38306   113.89043    41.13205
   28    27 S   H    _HN3    25     1.01539   119.59071    -1.84515
   29    24 S   S    _SG2    35     1.83171   111.12116   -64.98467
   30    27 S   CT   _CA3    26     1.45282   123.32669   177.14844
   31    30 S   HC   HA31    27     1.09548   107.27259   -71.88004
   32    30 S   HC   HA32    28     1.09557   108.29289    44.62868
   33    29 S   CT   _C23    36     1.87260   102.10511   172.69943
   34    33 S   OM   _O39    37     1.31869   109.08342   -63.48436
   35    30 S   CO3  _C3_    29     1.52998   114.05697   166.93397
   36    35 S   O2Z  _O31    30     1.26380   116.13677     2.80847
   37    35 S   O2Z  _O32    31     1.26443   114.39895  -177.07156
   38    33 S   CT   _C22    38     1.54704   111.60112    57.00011
   39    38 S   HC   _H21    39     1.10016   109.72580   -67.86150
   40    38 S   HC   _H22    40     1.09841   112.08851   176.98267
   41    33 S   S    _S1_    88     1.87132   105.37778  -179.57433
   42    38 S   CO4  _C21    41     1.52887   116.66458    53.80774
   43    42 S   O    _O38    42     1.22984   122.80323    40.60574
   44    41 S   CT   _C24    89     1.81262   101.87374  -173.64017
   45    44 S   HC   _H23    90     1.09374   108.51731  -171.96044
   46    44 S   HC   _H24    91     1.09244   110.74730    69.98459
   47    44 S   HC   _H25    92     1.09253   111.55067   -53.10264
   48    42 S   CT   _C20    43     1.51353   115.91626  -143.32936
   49    48 S   HC   _H19    44     1.09522   107.87672   -69.50669
   50    48 S   HC   _H20    45     1.09409   109.66642    48.10006
   51    48 S   CO4  _C19    46     1.51089   114.70668   169.23960
   52    51 S   O    _O37    47     1.23212   121.10371   118.07013
   53    51 S   CT   _C18    48     1.52124   117.63101   -63.81974
   54    53 S   HC   _H17    49     1.09619   108.85813     3.54486
   55    53 S   HC   _H18    50     1.09729   105.61720   118.11816
   56    53 S   CT   _C17    51     1.54536   113.33198  -120.15348
   57    56 S   CM   _C12    52     1.51895   109.15656   174.74040
   58    56 S   OH   _O40    86     1.43307   108.86954   -67.19780
   59    58 S   HO   _H26    87     0.97359   107.85703    56.64935
   60    57 S   CMA  _C13    53     1.35622   126.22297  -106.96628
   61    60 S   OM   _O42    54     1.26385   131.02470  -178.84665
   62    57 S   CO4  _C11    65     1.49898   116.68192    74.14491
   63    62 S   O    _O36    66     1.22914   120.15190   -81.97031
   64    60 S   CT   _C14    55     1.53045   118.78775     0.76515
   65    64 S   HC   _H13    56     1.10047   110.96108   133.61661
   66    64 S   HC   _H14    57     1.10108   108.97127  -110.71997
   67    62 S   CT   _C10    67     1.51310   116.68934    93.99515
   68    67 S   HC   _H11    68     1.09544   107.23255   -98.32719
   69    67 S   HC   _H12    69     1.09542   109.66877    19.26975
   70    64 S   CT   _C15    58     1.53210   115.17339    11.61673
   71    70 S   HC   _H3_    59     1.09480   110.26168    79.61559
   72    67 S   CO4  _C9_    70     1.51485   115.62424   140.80887
   73    72 S   O    _O35    71     1.22967   122.73707    -3.54558
   74    56 S   CT   _C16    60     1.53791   113.11973    51.82446
   75    74 S   HC   _H15    61     1.09672   111.82742   -49.94176
   76    74 S   HC   _H16    62     1.10034   110.07532  -164.36198
   77    70 S   OH   _O41    63     1.42428   109.78844  -162.16952
   78    77 S   HO   _H27    64     0.97440   107.02086   -66.02731
   79    72 S   CT   _C8_    72     1.51497   115.64724   179.65736
   80    79 S   HC   _H9_    73     1.09504   109.34855   -31.72010
   81    79 S   HC   _H10    74     1.09485   106.81020    85.73984
   82    79 S   CO4  _C7_    75     1.51467   115.43231  -152.29726
   83    82 S   O    _O34    76     1.23039   121.74584    29.13501
   84    82 S   CT   _C6_    77     1.51475   116.05308  -156.31682
   85    84 S   HC   _H7_    78     1.09514   106.94593   -76.53216
   86    84 S   HC   _H8_    79     1.09486   109.27810    41.16638
   87    84 S   CO4  _C5_    80     1.51291   115.70609   161.77336
   88    87 S   O    _O33    81     1.23012   122.63229   -29.66110
   89    87 S   CT   _C4_    82     1.50656   116.39164   153.42622
   90    89 S   HC   _H4_    83     1.09275   109.54290    60.69684
   91    89 S   HC   _H5_    84     1.09284   109.62431   -60.40013
   92    89 S   HC   _H6_    85     1.09357   109.72758  -179.69481
  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   8   5   4   3
  12   6   2   1   1  10   5   4   5   7   4   3   2   1   1   8
   4   3   8   4  12   5   4  15  17   7   1  11   5   9   4   9
   5   4   8   4   3   6   5   7   4   4   2   1   1   1   8   4
   3   7   4   8   4   3   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    41    44    45    46    47  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    51    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    42  
   43    48    49    50    51    52    53  
   48    49    50    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    74    58  
   53    54    55    56  
   54    55    56    57    60    70    74    75    76    62    58    59  
   55    56    57    74    58  
   56    57    74    58  
   57    60    61    64    70    71    74    75    76    77    62    63    67    58    59  
   60    61    64    65    66    70    74    75    76    62    63    67    68    69    72    58    59  
   59    60    62    70    74    75    76  
   74  
   61    64    65    66    70    71    74    77    62    63    67  
   64    65    66    70    62  
   63    67    68    69    72    73    79    64    74  
   67    68    69    72  
   65    66    70    71    74    75    76    77    78  
   66    70    71    74    77  
   70    71    74    77  
   68    69    72    73    79    80    81    82  
   69    72    73    79  
   72    73    79  
   71    74    75    76    77    78  
   74    75    76    77    78  
   73    79    80    81    82    83    84  
   79    80    81    82  
   75    76    77    78  
   76    77  
   77  
   78  
    0  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87    88    89  
   84    85    86    87  
   85    86    87    88    89    90    91    92  
   86    87    88    89  
   87    88    89  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   317.000  1.510
   56    74   268.000  1.529
   56    58   320.000  1.410
   57    60   465.000  1.376
   57    62   320.000  1.462
   60    61   745.000  1.250
   60    64   270.000  1.512
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   77    78   553.000  0.945
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   570.000  1.229
   87    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   58    59   553.000  0.945
   41    44   222.000  1.810
   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    75.00000  107.99600
   48    42    43    80.00000  120.40000
   48    51    52    80.00000  120.40000
   48    51    53    70.00000  116.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    70.00000  112.02700
   53    56    74    58.35000  112.70000
   53    56    58    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    57    60    70.00000  124.00000
   56    57    62    65.00000  116.34900
   56    74    70    58.35000  112.70000
   56    74    75    37.50000  110.70000
   56    74    76    37.50000  110.70000
   56    58    59    55.00000  108.50000
   57    60    61    65.00000  137.10300
   57    60    64    65.00000  122.18000
   57    62    63    80.00000  123.72100
   57    62    67    65.00000  118.62400
   60    64    65    45.00000  110.52000
   60    64    66    45.00000  110.52000
   60    64    70    70.00000  112.02700
   64    60    61    85.00000  112.85300
   64    70    71    37.50000  110.70000
   64    70    74    58.35000  112.70000
   64    70    77    50.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    77    78    55.00000  108.50000
   74    56    57    70.00000  112.02700
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    70    71    35.00000  109.50000
   77    70    74    50.00000  109.50000
   62    57    60    60.00000  125.92000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    72    75.00000  107.99600
   67    62    63    80.00000  120.40000
   67    72    73    80.00000  120.40000
   67    72    79    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    75.00000  107.99600
   79    72    73    80.00000  120.40000
   79    82    83    80.00000  120.40000
   79    82    84    70.00000  116.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    75.00000  107.99600
   84    82    83    80.00000  120.40000
   84    87    88    80.00000  120.40000
   84    87    89    70.00000  116.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   87    89    90    35.00000  109.50000
   87    89    91    35.00000  109.50000
   87    89    92    35.00000  109.50000
   89    87    88    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   58    56    57    90.00000  110.39200
   58    56    74    50.00000  109.50000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    47   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.65300  1.0 1.0
   38    42    48    51  -0.03850 -1.0 2.0
   38    42    48    51   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48   0.00000  1.0 1.0
   42    48    51    52   0.30150 -1.0 2.0
   42    48    51    53   0.65300  1.0 1.0
   42    48    51    53  -0.03850 -1.0 2.0
   42    48    51    53   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    51   0.30150 -1.0 2.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    55   0.00000  1.0 1.0
   48    51    53    56   0.60050  1.0 1.0
   48    51    53    56   0.05600 -1.0 2.0
   48    51    53    56   0.26150  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    56    57  -0.98800  1.0 1.0
   51    53    56    57   0.48800 -1.0 2.0
   51    53    56    57   0.76800  1.0 3.0
   51    53    56    74  -0.95700  1.0 1.0
   51    53    56    74  -0.18200 -1.0 2.0
   51    53    56    74   0.29450  1.0 3.0
   51    53    56    58  -0.09450  1.0 1.0
   51    53    56    58  -1.12950 -1.0 2.0
   51    53    56    58   0.54000  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    57    60   0.09850  1.0 1.0
   53    56    57    60   0.15250 -1.0 2.0
   53    56    57    60  -0.50650  1.0 3.0
   53    56    57    62   0.09700  1.0 1.0
   53    56    57    62   0.15600 -1.0 2.0
   53    56    57    62  -0.50800  1.0 3.0
   53    56    74    70   0.56750  1.0 1.0
   53    56    74    70  -0.07550 -1.0 2.0
   53    56    74    70   0.20000  1.0 3.0
   53    56    74    75   0.15000  1.0 3.0
   53    56    74    76   0.15000  1.0 3.0
   53    56    58    59  -0.11600  1.0 1.0
   53    56    58    59  -0.09450 -1.0 2.0
   53    56    58    59   0.21250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    74   0.15000  1.0 3.0
   54    53    56    58   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    74   0.15000  1.0 3.0
   55    53    56    58   0.23400  1.0 3.0
   56    57    60    61   7.00000 -1.0 2.0
   56    57    60    64   7.00000 -1.0 2.0
   56    57    62    63  -0.64400  1.0 1.0
   56    57    62    63   0.26850 -1.0 2.0
   56    57    62    67   0.25700  1.0 1.0
   56    57    62    67   0.66200 -1.0 2.0
   56    57    62    67   0.04450  1.0 3.0
   57    56    74    70   0.34400  1.0 1.0
   57    56    74    70   0.09450 -1.0 2.0
   57    56    74    70   0.11100  1.0 3.0
   57    56    74    75   0.15000  1.0 3.0
   57    56    74    76   0.15000  1.0 3.0
   57    56    58    59  -0.07800  1.0 1.0
   57    56    58    59  -0.21500 -1.0 2.0
   57    56    58    59  -0.03150  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60   -64    70   0.09850  1.0 1.0
   57    60   -64    70   0.15250 -1.0 2.0
   57    60   -64    70  -0.50650  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    69   0.00000  1.0 1.0
   57    62    67    72   0.65300  1.0 1.0
   57    62    67    72  -0.03850 -1.0 2.0
   57    62    67    72   0.33900  1.0 3.0
   60    57    62    63   1.00000 -1.0 2.0
   60    57    62    67  -0.33500  1.0 1.0
   60    57    62    67   1.06600 -1.0 2.0
   60    57    62    67  -0.14000  1.0 3.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    74   0.34400  1.0 1.0
   60    64    70    74   0.09450 -1.0 2.0
   60    64    70    74   0.11100  1.0 3.0
   60    64    70    77   1.05650  1.0 1.0
   60    64    70    77   0.15600 -1.0 2.0
   60    64    70    77   0.53150  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    70   0.09700  1.0 1.0
   61    60    64    70   0.15600 -1.0 2.0
   61    60    64    70  -0.50800  1.0 3.0
   64    70   -74    56   0.56750  1.0 1.0
   64    70   -74    56  -0.07550 -1.0 2.0
   64    70   -74    56   0.20000  1.0 3.0
   64    70    74    75   0.15000  1.0 3.0
   64    70    74    76   0.15000  1.0 3.0
   64    70    77    78  -0.11600  1.0 1.0
   64    70    77    78  -0.09450 -1.0 2.0
   64    70    77    78   0.21250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    74   0.15000  1.0 3.0
   65    64    70    77   0.23400  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    74   0.15000  1.0 3.0
   66    64    70    77   0.23400  1.0 3.0
   71    70    74    56   0.15000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    77    78   0.19450  1.0 3.0
   74    56   -57    60   0.09850  1.0 1.0
   74    56   -57    60   0.15250 -1.0 2.0
   74    56   -57    60  -0.50650  1.0 3.0
   74    56    57    62   0.09700  1.0 1.0
   74    56    57    62   0.15600 -1.0 2.0
   74    56    57    62  -0.50800  1.0 3.0
   74    56    58    59  -0.11600  1.0 1.0
   74    56    58    59  -0.09450 -1.0 2.0
   74    56    58    59   0.21250  1.0 3.0
   74    70    77    78  -0.11600  1.0 1.0
   74    70    77    78  -0.09450 -1.0 2.0
   74    70    77    78   0.21250  1.0 3.0
   77    70    74    56   0.86500  1.0 1.0
   77    70    74    56  -0.17500 -1.0 2.0
   77    70    74    56   0.20800  1.0 3.0
   77    70    74    75   0.23400  1.0 3.0
   77    70    74    76   0.23400  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    64   7.00000 -1.0 2.0
   62    67    72    73   0.30150 -1.0 2.0
   62    67    72    79   0.65300  1.0 1.0
   62    67    72    79  -0.03850 -1.0 2.0
   62    67    72    79   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    72   0.30150 -1.0 2.0
   67    72    79    80   0.00000  1.0 1.0
   67    72    79    81   0.00000  1.0 1.0
   67    72    79    82   0.65300  1.0 1.0
   67    72    79    82  -0.03850 -1.0 2.0
   67    72    79    82   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    79   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    79   0.00000  1.0 1.0
   72    79    82    83   0.30150 -1.0 2.0
   72    79    82    84   0.65300  1.0 1.0
   72    79    82    84  -0.03850 -1.0 2.0
   72    79    82    84   0.33900  1.0 3.0
   73    72    79    80   0.00000  1.0 1.0
   73    72    79    81   0.00000  1.0 1.0
   73    72    79    82   0.30150 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.65300  1.0 1.0
   79    82    84    87  -0.03850 -1.0 2.0
   79    82    84    87   0.33900  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   82    84    87    88   0.30150 -1.0 2.0
   82    84    87    89   0.65300  1.0 1.0
   82    84    87    89  -0.03850 -1.0 2.0
   82    84    87    89   0.33900  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.30150 -1.0 2.0
   84    87    89    90   0.00000  1.0 1.0
   84    87    89    91   0.00000  1.0 1.0
   84    87    89    92   0.00000  1.0 1.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   0.00000  1.0 1.0
   88    87    89    92   0.00000  1.0 1.0
   58    56    57    60   0.67800  1.0 1.0
   58    56    57    60   0.47050 -1.0 2.0
   58    56    57    60  -0.62500  1.0 3.0
   58    56    57    62   0.09700  1.0 1.0
   58    56    57    62   0.15600 -1.0 2.0
   58    56    57    62  -0.50800  1.0 3.0
   58    56    74    70   0.86500  1.0 1.0
   58    56    74    70  -0.17500 -1.0 2.0
   58    56    74    70   0.20800  1.0 3.0
   58    56    74    75   0.23400  1.0 3.0
   58    56    74    76   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
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
   38    48    42    43  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
   56    62    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   57    67    62    63  10.50000 -1.0 2.0
   67    79    72    73  10.50000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
   84    89    87    88  10.50000 -1.0 2.0
END
