* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    167    249     487
    1     0 S   NP   _N1_     1    29.26437    93.63754   -24.11989
    2     1 S   H    _HN1     2     1.02828    24.44145  -169.39332
    3     1 S   H    _H1_     3     1.02784   111.74076   -83.86130
    4     1 S   H    _H2_     4     1.02953    83.21502    23.22225
    5     1 S   CT   _CA1     5     1.50119   126.07059   133.54978
    6     5 S   HC   _HA1     6     1.09574   105.20315    80.95310
    7     5 S   CO3  _C1_     7     1.53778   112.46510   -39.26517
    8     7 S   O2Z  _O11     8     1.26366   115.00610   -42.39719
    9     7 S   O2Z  _O12     9     1.26241   114.93861   136.74326
   10     5 S   CT   _CB1    10     1.53075   107.41909  -161.09367
   11    10 S   HC   HB11    11     1.09838   109.33296   -50.17700
   12    10 S   HC   HB12    12     1.09817   110.43464    66.39194
   13    10 S   CT   _CG1    13     1.53013   112.66705  -171.20576
   14    13 S   HC   HG11    14     1.09580   110.60645   -65.73234
   15    13 S   HC   HG12    15     1.09665   109.84465    53.54943
   16    13 S   C    _CD1    16     1.51770   112.17617   173.94113
   17    16 S   O    _OE1    17     1.22729   123.19057     5.59738
   18    16 S   N    _N2_    18     1.38632   111.72614  -174.52453
   19    18 S   H    _HN2    19     1.01595   119.00941    -0.39267
   20    18 S   CT1  _CA2    20     1.46033   123.30189   177.56161
   21    20 S   HC   _HA2    21     1.09345   109.11356   -10.73902
   22    20 S   C    _C2_    22     1.53381   108.17405  -125.00864
   23    22 S   O    _O2_    23     1.22989   122.51296  -144.19797
   24    20 S   CT   _CB2    32     1.53283   112.10808   111.71357
   25    24 S   HC   HB21    33     1.09659   109.44814    58.36594
   26    24 S   HC   HB22    34     1.09432   111.00423   175.37882
   27    22 S   N    _N3_    24     1.38501   113.18906    43.67940
   28    27 S   H    _HN3    25     1.01611   119.43919    -5.69106
   29    24 S   S    _SG2    35     1.83276   114.43767   -61.03068
   30    27 S   CT   _CA3    26     1.45295   123.13676   175.41469
   31    30 S   HC   HA31    27     1.09559   107.95911   -52.75679
   32    30 S   HC   HA32    28     1.09553   107.44309    63.58602
   33    29 S   CT   _C19    36     1.83358   101.00744   -69.42157
   34    33 S   HC   _H3_    37     1.08871   107.75857    49.07821
   35    33 S   HC   _H4_    38     1.09398   105.62581   163.21640
   36    30 S   CO3  _C3_    29     1.52981   114.32634  -174.59706
   37    36 S   O2Z  _O31    30     1.26386   116.18595     4.75444
   38    36 S   O2Z  _O32    31     1.26420   114.39052  -175.40893
   39    33 S   CT   _C12    39     1.52993   112.78248   -75.48126
   40    39 S   HC   _H32    40     1.09554   111.51244    40.20558
   41    39 S   CO4  _C6_    41     1.51441   110.91149   -81.02625
   42    41 S   O    _O21    42     1.22153   125.67399    71.84998
   43    41 S   OS   _O23    43     1.36965   110.41791  -107.56679
   44    43 S   CT   _C14    44     1.43582   110.22158     3.43427
   45    44 S   HC   _H34    45     1.09664   108.32842  -140.41521
   46    44 S   CT   _C10    46     1.52616   109.28894    99.97720
   47    46 S   HC   _H29    47     1.09845   107.03028    90.14059
   48    46 S   HC   _H30    48     1.09747   110.25848   -23.35714
   49    46 S   CM   _C4_    49     1.51420   116.35492  -147.61209
   50    49 S   CM   _C5_    50     1.35683   122.84816     8.88781
   51    49 S   CT   _C18    86     1.51186   112.32333  -169.94028
   52    51 S   HC   _H44    87     1.09148   114.11249   163.48033
   53    51 S   HC   _H45    88     1.09599   110.08798    44.17065
   54    50 S   CT   _C11    51     1.52458   121.03761    -0.37949
   55    54 S   HC   _H31    52     1.09424   110.00734   136.41237
   56    50 S   CT   _C23    69     1.54349   122.64090   179.47885
   57    56 S   HC   _H54    70     1.09508   108.43453   -21.28590
   58    51 S   OH   _O24    89     1.42069   108.90946   -74.70173
   59    58 S   HO   _H55    90     0.97221   107.04646   178.51181
   60    39 S   CT   _C13    53     1.53521   117.47110   164.39809
   61    60 S   HC   _H33    54     1.10188   105.31648  -158.56408
   62    54 S   OS   _O26    55     1.44953   105.84109  -105.58559
   63    56 S   CT   _C17    71     1.53221   110.88971    96.06628
   64    63 S   HC   _H41    72     1.09437   111.82962    74.28842
   65    63 S   HC   _H42    73     1.09555   111.30702   -46.75093
   66    63 S   HC   _H43    74     1.09490   110.80877  -165.84803
   67    56 S   CT   _C21    75     1.54440   113.43679  -137.27827
   68    67 S   HC   _H50    76     1.09712   110.39328   -71.63981
   69    67 S   HC   _H51    77     1.09486   108.53296    45.64019
   70    62 S   CO4  _C9_    56     1.35866   117.43362  -146.11522
   71    70 S   O    _O22    57     1.22099   127.08174    -1.97734
   72    67 S   CT   _C20    78     1.53036   114.02475   166.24679
   73    72 S   HC   _H48    79     1.09676   110.53041   -52.15000
   74    72 S   HC   _H49    80     1.09590   110.89304    65.38164
   75    70 S   CM   _C8_    58     1.48267   108.45297   178.25527
   76    72 S   CT   _C22    81     1.52339   110.55904  -173.22459
   77    76 S   HC   _H52    82     1.09379   110.44617    60.68932
   78    76 S   HC   _H53    83     1.09474   110.91376   -60.24312
   79    75 S   CM   _C7_    59     1.34440   120.19555  -130.39151
   80    79 S   HC   _H28    60     1.08913   117.88016  -177.98016
   81    75 S   CT   _C16    65     1.49890   116.85948    51.47227
   82    81 S   HC   _H38    66     1.09482   110.68604   -69.88835
   83    81 S   HC   _H39    67     1.09513   110.41026    50.27440
   84    81 S   HC   _H40    68     1.09517   111.92668   169.95931
   85    76 S   OH   _O25    84     1.41991   109.67119   179.87805
   86    85 S   HO   _H56    85     0.97564   106.21520  -177.12152
   87    79 S   CT   _C15    61     1.49612   127.99549     3.77688
   88    87 S   HC   _H35    62     1.09404   109.94280  -110.62664
   89    87 S   HC   _H36    63     1.09498   109.36054   130.82708
   90    87 S   HC   _H37    64     1.09268   113.51145    11.35407
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  12   7  12   5   4
  14  20   6   3   2  11   5  14   8   1   1   3   1   5   7   3
   2   1   9   5   4   9   3   7   5   4  10   4   3   2   9   5
   4   2   1   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    60  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    54    60    61  
   35    39    40    41    60  
   39    40    41    60  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    50    54    55    60    61    62  
   41    42    43    44    54    60    61  
   42    43    44    45    46    54    60    61  
   43    44    60  
   44    45    46    47    48    49    54    60    61  
   45    46    47    48    49    50    54    55    60    61    62    51  
   46    47    48    49    54    60    61  
   47    48    49    50    54    60    61    56    51    52    53    58  
   48    49    50    60    51  
   49    50    60    51  
   50    54    55    60    62    56    57    63    67    51    52    53    58    59  
   54    55    60    61    62    70    56    57    63    64    65    66    67    68    69    72    51    52    53    58  
   52    53    58    59    54    56  
   53    58    59  
   58    59  
   55    60    61    62    70    71    75    56    57    63    67  
   60    61    62    70    56  
   57    63    64    65    66    67    68    69    72    73    74    76    60    62  
   63    64    65    66    67    68    69    72  
   59  
    0  
   61    62    70  
   62  
   70    71    75    79    81  
   64    65    66    67    68    69    72  
   65    66    67  
   66    67  
   67  
   68    69    72    73    74    76    77    78    85  
   69    72    73    74    76  
   72    73    74    76  
   71    75    79    80    87    81    82    83    84  
   75    79    81  
   73    74    76    77    78    85    86  
   74    76    77    78    85  
   76    77    78    85  
   79    80    87    88    89    90    81    82    83    84  
   77    78    85    86  
   78    85    86  
   85    86  
   80    87    88    89    90    81    82    83    84  
   87    88    89    90    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    60   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   549.000  1.340
   49    51   317.000  1.510
   50    54   317.000  1.510
   50    56   317.000  1.510
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   320.000  1.410
   60    61   340.000  1.090
   62    70   214.000  1.327
   70    71   570.000  1.229
   70    75   320.000  1.462
   75    79   549.000  1.340
   75    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    85   320.000  1.410
   85    86   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   320.000  1.410
   58    59   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    60    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    60    44    58.35000  112.70000
   39    60    54    58.35000  112.70000
   39    60    61    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    60    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    70.00000  112.02700
   44    60    54    58.35000  112.70000
   44    60    61    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    49    50    70.00000  124.00000
   46    49    51    65.00000  117.92700
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    54    70.00000  124.00000
   49    50    56    70.00000  124.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    58    90.00000  110.39200
   50    54    55    35.00000  109.50000
   50    54    60    70.00000  112.02700
   50    54    62    85.00000  110.90400
   50    56    57    35.00000  109.50000
   50    56    63    70.00000  112.02700
   50    56    67    70.00000  112.02700
   54    60    61    37.50000  110.70000
   54    62    70    83.00000  116.90000
   60    39    40    37.50000  110.70000
   60    39    41    63.00000  111.10000
   60    44    45    37.50000  110.70000
   60    44    46    58.35000  112.70000
   60    54    55    37.50000  110.70000
   62    54    55    35.00000  109.50000
   62    54    60    50.00000  109.50000
   62    70    71    83.00000  123.40000
   62    70    75    90.00000  111.29400
   70    75    79    65.00000  118.96000
   70    75    81    65.00000  116.34900
   75    70    71    80.00000  123.72100
   75    79    80    35.00000  120.00000
   75    79    87    70.00000  124.00000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   87    79    80    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   81    75    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   56    50    54    65.00000  117.92700
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   56    67    68    37.50000  110.70000
   56    67    69    37.50000  110.70000
   56    67    72    58.35000  112.70000
   63    56    57    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    56    57    37.50000  110.70000
   67    56    63    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    76    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    85    50.00000  109.50000
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    85    86    55.00000  108.50000
   78    76    77    33.00000  107.80000
   85    76    77    35.00000  109.50000
   85    76    78    35.00000  109.50000
   51    49    50    70.00000  124.00000
   51    58    59    55.00000  108.50000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    60   0.44750  1.0 1.0
   29    33    39    60  -0.17800 -1.0 2.0
   29    33    39    60   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    60    44   0.56750  1.0 1.0
   33    39    60    44  -0.07550 -1.0 2.0
   33    39    60    44   0.20000  1.0 3.0
   33    39    60    54   0.56750  1.0 1.0
   33    39    60    54  -0.07550 -1.0 2.0
   33    39    60    54   0.20000  1.0 3.0
   33    39    60    61   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    60   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    60   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    60    44   0.15000  1.0 3.0
   40    39    60    54   0.15000  1.0 3.0
   40    39    60    61   0.15000  1.0 3.0
   41    39   -60    44  -0.95700  1.0 1.0
   41    39   -60    44  -0.18200 -1.0 2.0
   41    39   -60    44   0.29450  1.0 3.0
   41    39    60    54  -0.95700  1.0 1.0
   41    39    60    54  -0.18200 -1.0 2.0
   41    39    60    54   0.29450  1.0 3.0
   41    39    60    61  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    60  -0.25900  1.0 1.0
   41    43   -44    60  -0.47000 -1.0 2.0
   41    43   -44    60   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   0.61850  1.0 1.0
   43    44    46    49  -0.22750 -1.0 2.0
   43    44    46    49   0.15300  1.0 3.0
   43    44   -60    39   0.62750  1.0 1.0
   43    44   -60    39  -0.30950 -1.0 2.0
   43    44   -60    39   0.27300  1.0 3.0
   43    44    60    54   0.62750  1.0 1.0
   43    44    60    54  -0.30950 -1.0 2.0
   43    44    60    54   0.27300  1.0 3.0
   43    44    60    61   0.23400  1.0 3.0
   44    46    49    50   0.09850  1.0 1.0
   44    46    49    50   0.15250 -1.0 2.0
   44    46    49    50  -0.50650  1.0 3.0
   44    46    49    51   0.46850  1.0 1.0
   44    46    49    51   0.08550 -1.0 2.0
   44    46    49    51   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    60    39   0.15000  1.0 3.0
   45    44    60    54   0.15000  1.0 3.0
   45    44    60    61   0.15000  1.0 3.0
   46    44    60    39   0.56750  1.0 1.0
   46    44    60    39  -0.07550 -1.0 2.0
   46    44    60    39   0.20000  1.0 3.0
   46    44    60    54   0.56750  1.0 1.0
   46    44    60    54  -0.07550 -1.0 2.0
   46    44    60    54   0.20000  1.0 3.0
   46    44    60    61   0.15000  1.0 3.0
   46    49   -50    54   7.00000 -1.0 2.0
   46    49    50    56   7.00000 -1.0 2.0
   46    49    51    52   0.34800  1.0 3.0
   46    49    51    53   0.34800  1.0 3.0
   46    49    51    58   0.18000  1.0 1.0
   46    49    51    58   0.16450 -1.0 2.0
   46    49    51    58   0.04450  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.34800  1.0 3.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.34800  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    60   0.09850  1.0 1.0
   49    50    54    60   0.15250 -1.0 2.0
   49    50    54    60  -0.50650  1.0 3.0
   49    50    54    62   0.39000  1.0 1.0
   49    50    54    62  -0.05800 -1.0 2.0
   49    50    54    62  -0.55150  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    63   0.09850  1.0 1.0
   49    50    56    63   0.15250 -1.0 2.0
   49    50    56    63  -0.50650  1.0 3.0
   49    50    56    67   0.09850  1.0 1.0
   49    50    56    67   0.15250 -1.0 2.0
   49    50    56    67  -0.50650  1.0 3.0
   49    51    58    59  -0.07800  1.0 1.0
   49    51    58    59  -0.21500 -1.0 2.0
   49    51    58    59  -0.03150  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    58   0.67800  1.0 1.0
   50    49    51    58   0.47050 -1.0 2.0
   50    49    51    58  -0.62500  1.0 3.0
   50    54    60    39   0.34400  1.0 1.0
   50    54    60    39   0.09450 -1.0 2.0
   50    54    60    39   0.11100  1.0 3.0
   50    54   -60    44   0.34400  1.0 1.0
   50    54   -60    44   0.09450 -1.0 2.0
   50    54   -60    44   0.11100  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    62    70  -0.82050  1.0 1.0
   50    54    62    70   0.00600 -1.0 2.0
   50    54    62    70   0.04400  1.0 3.0
   50    56    63    64   0.15000  1.0 3.0
   50    56    63    65   0.15000  1.0 3.0
   50    56    63    66   0.15000  1.0 3.0
   50    56    67    68   0.15000  1.0 3.0
   50    56    67    69   0.15000  1.0 3.0
   50    56    67    72   0.34400  1.0 1.0
   50    56    67    72   0.09450 -1.0 2.0
   50    56    67    72   0.11100  1.0 3.0
   54    50    56    57   0.34800  1.0 3.0
   54    50    56    63   0.46850  1.0 1.0
   54    50    56    63   0.08550 -1.0 2.0
   54    50    56    63   0.09800  1.0 3.0
   54    50    56    67   0.46850  1.0 1.0
   54    50    56    67   0.08550 -1.0 2.0
   54    50    56    67   0.09800  1.0 3.0
   54    62    70    71   3.00000 -1.0 2.0
   54    62    70    75   2.00000 -1.0 2.0
   55    54    60    39   0.15000  1.0 3.0
   55    54    60    44   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    62    70   0.08050  1.0 3.0
   60    39    41    42   0.30150 -1.0 2.0
   60    39   -41    43   0.36750  1.0 3.0
   60    44    46    47   0.15000  1.0 3.0
   60    44    46    48   0.15000  1.0 3.0
   60    44   -46    49   0.34400  1.0 1.0
   60    44   -46    49   0.09450 -1.0 2.0
   60    44   -46    49   0.11100  1.0 3.0
   60    54    62    70  -0.25900  1.0 1.0
   60    54    62    70  -0.47000 -1.0 2.0
   60    54    62    70   0.11750  1.0 3.0
   62    54    60    39   0.62750  1.0 1.0
   62    54    60    39  -0.30950 -1.0 2.0
   62    54    60    39   0.27300  1.0 3.0
   62    54    60    44   0.62750  1.0 1.0
   62    54    60    44  -0.30950 -1.0 2.0
   62    54    60    44   0.27300  1.0 3.0
   62    54    60    61   0.23400  1.0 3.0
   62    70    75    79  -0.56150  1.0 1.0
   62    70    75    79   2.19150 -1.0 2.0
   62    70    75    81  -0.15000  1.0 1.0
   62    70    75    81   0.89550 -1.0 2.0
   62    70    75    81  -0.06900  1.0 3.0
   70    75    79    80   7.00000 -1.0 2.0
   70    75    79    87   7.00000 -1.0 2.0
   70    75    81    82   0.15000  1.0 3.0
   70    75    81    83   0.15000  1.0 3.0
   70    75    81    84   0.15000  1.0 3.0
   71    70    75    79   1.00000 -1.0 2.0
   71    70    75    81  -0.64400  1.0 1.0
   71    70    75    81   0.26850 -1.0 2.0
   75    79    87    88   0.00000  1.0 1.0
   75    79    87    89   0.00000  1.0 1.0
   75    79    87    90   0.00000  1.0 1.0
   79    75    81    82   0.00000  1.0 1.0
   79    75    81    83   0.00000  1.0 1.0
   79    75    81    84   0.00000  1.0 1.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    89   0.33100  1.0 3.0
   80    79    87    90   0.33100  1.0 3.0
   81    75    79    80   7.00000 -1.0 2.0
   81    75    79    87   7.00000 -1.0 2.0
   56    50    54    55   0.34800  1.0 3.0
   56    50    54    60   0.46850  1.0 1.0
   56    50    54    60   0.08550 -1.0 2.0
   56    50    54    60   0.09800  1.0 3.0
   56    50    54    62   0.09700  1.0 1.0
   56    50    54    62   0.15600 -1.0 2.0
   56    50    54    62  -0.50800  1.0 3.0
   56    67    72    73   0.15000  1.0 3.0
   56    67    72    74   0.15000  1.0 3.0
   56    67    72    76   0.56750  1.0 1.0
   56    67    72    76  -0.07550 -1.0 2.0
   56    67    72    76   0.20000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    67    68   0.15000  1.0 3.0
   57    56    67    69   0.15000  1.0 3.0
   57    56    67    72   0.15000  1.0 3.0
   63    56    67    68   0.15000  1.0 3.0
   63    56    67    69   0.15000  1.0 3.0
   63    56    67    72   0.56750  1.0 1.0
   63    56    67    72  -0.07550 -1.0 2.0
   63    56    67    72   0.20000  1.0 3.0
   67    56    63    64   0.15000  1.0 3.0
   67    56    63    65   0.15000  1.0 3.0
   67    56    63    66   0.15000  1.0 3.0
   67    72    76    77   0.15000  1.0 3.0
   67    72    76    78   0.15000  1.0 3.0
   67    72    76    85   0.86500  1.0 1.0
   67    72    76    85  -0.17500 -1.0 2.0
   67    72    76    85   0.20800  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    76   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    76   0.15000  1.0 3.0
   72    76    85    86  -0.11600  1.0 1.0
   72    76    85    86  -0.09450 -1.0 2.0
   72    76    85    86   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    85   0.23400  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    85   0.23400  1.0 3.0
   77    76    85    86   0.19450  1.0 3.0
   78    76    85    86   0.19450  1.0 3.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    56   7.00000 -1.0 2.0
   52    51    58    59   0.19450  1.0 3.0
   53    51    58    59   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    49    50   1.10000 -1.0 2.0
   54    56    50    49   1.10000 -1.0 2.0
   62    75    70    71  10.50000 -1.0 2.0
   70    81    75    79  15.00000 -1.0 2.0
   87    80    79    75  15.00000 -1.0 2.0
END
