* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    156    240     462
    1     0 S   NP   _N1_     1    28.62703    94.44076   -20.61304
    2     1 S   H    _HN1     2     1.02951    93.90266    13.03631
    3     1 S   H    _H1_     3     1.02836    32.67366   129.05863
    4     1 S   H    _H2_     4     1.02780    84.65221   -95.04346
    5     1 S   CT   _CA1     5     1.50132   142.69001   144.69515
    6     5 S   HC   _HA1     6     1.09582   105.19485    50.08539
    7     5 S   CO3  _C1_     7     1.53812   112.41843   -69.94017
    8     7 S   O2Z  _O11     8     1.26359   115.07631   -43.25444
    9     7 S   O2Z  _O12     9     1.26242   114.91075   135.83943
   10     5 S   CT   _CB1    10     1.53066   107.38110   167.82906
   11    10 S   HC   HB11    11     1.09824   109.32423   -51.81967
   12    10 S   HC   HB12    12     1.09748   110.37404    64.56808
   13    10 S   CT   _CG1    13     1.52961   112.66939  -172.90477
   14    13 S   HC   HG11    14     1.09561   110.44996   -62.63501
   15    13 S   HC   HG12    15     1.09651   109.97864    56.47039
   16    13 S   C    _CD1    16     1.51795   112.43034   176.79435
   17    16 S   O    _OE1    17     1.22719   123.29601    -4.76830
   18    16 S   N    _N2_    18     1.38645   111.51483   175.82435
   19    18 S   H    _HN2    19     1.01573   118.98705     0.44367
   20    18 S   CT1  _CA2    20     1.46239   123.52562  -179.24879
   21    20 S   HC   _HA2    21     1.09732   109.37001    -8.95930
   22    20 S   C    _C2_    22     1.53452   108.55240  -124.65401
   23    22 S   O    _O2_    23     1.23030   122.17930  -147.48949
   24    20 S   CT   _CB2    32     1.53385   111.26280   113.06660
   25    24 S   HC   HB21    33     1.09566   109.62536    55.31186
   26    24 S   HC   HB22    34     1.09501   110.74053   174.39538
   27    22 S   N    _N3_    24     1.38492   113.45362    39.99079
   28    27 S   H    _HN3    25     1.01527   118.84836    -1.09664
   29    24 S   S    _SG2    35     1.82460   111.40264   -65.78628
   30    27 S   CT   _CA3    26     1.45463   123.67217   175.24927
   31    30 S   HC   HA31    27     1.09509   109.50345    18.79177
   32    30 S   HC   HA32    28     1.09504   107.05131   135.81856
   33    29 S   CT   _C23    36     1.82323    99.60927   168.19595
   34    33 S   HC   _H3_    37     1.09339   107.39760   108.34682
   35    33 S   HC   _H4_    38     1.09550   110.97962    -6.34474
   36    30 S   CO3  _C3_    29     1.52907   112.94108  -104.88047
   37    36 S   O2Z  _O31    30     1.26408   115.33004   -46.28121
   38    36 S   O2Z  _O32    31     1.26346   115.03682   134.60909
   39    33 S   CM   _C11    39     1.52352   110.98194  -129.74234
   40    39 S   CMA  _C12    40     1.37042   121.73633    82.29625
   41    40 S   OM   _O21    41     1.26984   125.62569   176.84657
   42    39 S   CT   _C17    47     1.55109   116.26856  -101.19467
   43    42 S   HC   _H42    48     1.09909   107.82089   174.97426
   44    40 S   OS   _O27    42     1.42060   111.59628    -1.23559
   45    42 S   CT   _C18    49     1.54107   113.27044    58.40795
   46    45 S   HC   _H43    50     1.09506   110.49753   -58.03807
   47    42 S   CT   _C19    64     1.54847   111.27864   -68.35829
   48    47 S   HC   _H44    65     1.09509   110.75568    58.15100
   49    44 S   CT   _C21    43     1.42738   113.92288  -139.10988
   50    49 S   HC   _H45    44     1.09407   107.74106   170.65914
   51    49 S   HC   _H46    45     1.09477   111.17903    52.54434
   52    49 S   HC   _H47    46     1.09466   111.01900   -71.35902
   53    45 S   CT   _C14    51     1.53420   110.83165   179.70725
   54    53 S   HC   _H37    52     1.09886   108.92442   178.40357
   55    53 S   HC   _H38    53     1.10045   108.24381   -68.30804
   56    47 S   OH   _O25    66     1.43434   109.14070   -58.40095
   57    56 S   HO   _H52    67     0.97338   108.19948   -39.81342
   58    45 S   OS   _O28    76     1.44813   107.99259    61.68817
   59    53 S   CT   _C20    54     1.54565   114.63493    54.46494
   60    58 S   CO4  _C13    77     1.35917   117.72358  -156.07434
   61    60 S   O    _O23    78     1.22310   125.84535    -1.71349
   62    59 S   CT   _C15    55     1.53988   110.36449    66.10779
   63    62 S   HC   _H39    56     1.09420   112.91297   -53.14455
   64    62 S   HC   _H40    57     1.09690   110.99261    65.67195
   65    59 S   CM   _C9_    71     1.53448   105.68035  -177.66938
   66    65 S   HC   _H36    72     1.09062   115.36953   -69.65341
   67    60 S   CM   _C10    79     1.48958   109.76859   178.75589
   68    62 S   OS   _O24    58     1.44402   113.50573  -174.21792
   69    65 S   CM   _C7_    73     1.33917   128.47469   108.81735
   70    69 S   HC   _H32    74     1.08550   119.96920  -179.33353
   71    69 S   HC   _H33    75     1.08255   123.02380    -0.06256
   72    67 S   CM   _C8_    80     1.34222   117.09325   173.34268
   73    72 S   HC   _H34    81     1.08541   120.90201  -179.60683
   74    72 S   HC   _H35    82     1.08522   122.51277     0.78684
   75    67 S   CT   _C22    83     1.49875   120.70063    -5.33957
   76    75 S   HC   _H48    84     1.09520   111.37338   169.52003
   77    75 S   HC   _H49    85     1.09502   111.22962    49.59794
   78    68 S   CO4  _C5_    59     1.35474   124.37408    33.00629
   79    78 S   O    _O22    60     1.22705   120.76122   171.96710
   80    75 S   OH   _O26    86     1.41971   109.27586   -71.11888
   81    80 S   HO   _H53    87     0.97317   106.95250   179.56749
   82    78 S   CM   _C4_    61     1.48239   116.68764    -9.67089
   83    59 S   CT   _C16    62     1.54853   110.20049   -52.48906
   84    83 S   HC   _H41    63     1.10015   108.78260   -67.25510
   85    82 S   CM   _C6_    68     1.34380   116.91378  -165.95562
   86    85 S   HC   _H30    69     1.08568   120.79230   178.76965
   87    85 S   HC   _H31    70     1.08513   122.74685    -1.43722
  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   6   5   4   3
  10   4   3   2   1   1  14  10   3  17   8   4  15   7  13   6
   3   2   1   1  15   6   5   5   1   6  14   9   3  11   5   4
   8   4   8   5   3   1   1   6   2   1   4   3   2   7   3   1
   1   5   4   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    42    43    45    47  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    44    49    42    43    45    46    53    83    47    48    56    58  
   41    44    49    50    51    52    42    43    45    47  
   44    49    42  
   43    45    46    53    54    55    59    82    83    84    47    48    56    57    58    60    44  
   45    46    53    83    47    48    56    58  
   49    50    51    52  
   46    53    54    55    59    62    83    47    48    56    65    58    60    61    67  
   53    54    55    59    47    58    60  
   48    56    57    85    65    58    53    59    62    78    82    83    84  
   56    57    59    82    83    84  
   50    51    52  
   51    52  
   52  
    0  
   54    55    59    62    63    64    68    82    83    84    65    66    69    58    60  
   55    59    62    83    65    58  
   59    62    83    65    58  
   57    59    82    83    84  
   83  
   60    61    67    72    75    59  
   62    63    64    68    78    82    83    84    85    65    66    69    70    71  
   61    67    72    73    74    75    76    77    80  
   67    72    75  
   63    64    68    78    79    82    83    84    65    66    69  
   64    68    78    83    65  
   68    78    83    65  
   66    69    70    71    68    82    83    84  
   69    70    71    83  
   72    73    74    75    76    77    80    81  
   78    79    82    83    85  
   70    71    83  
   71  
    0  
   73    74    75    76    77    80  
   74    75  
   75  
   76    77    80    81  
   77    80    81  
   80    81  
   79    82    83    84    85    86    87  
   82    83    85  
   81  
    0  
   83    84    85    86    87  
   84    85    86    87  
   85  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0300   0.115000   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   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    47   268.000  1.529
   45    46   340.000  1.090
   45    53   268.000  1.529
   45    58   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    62   268.000  1.529
   59    83   268.000  1.529
   59    65   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   320.000  1.410
   68    78   214.000  1.327
   78    79   570.000  1.229
   78    82   320.000  1.462
   82    83   317.000  1.510
   82    85   549.000  1.340
   83    84   340.000  1.090
   83    47   268.000  1.529
   47    48   340.000  1.090
   47    56   320.000  1.410
   56    57   553.000  0.945
   85    86   340.000  1.080
   85    87   340.000  1.080
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    71   340.000  1.080
   58    60   214.000  1.327
   60    61   570.000  1.229
   60    67   320.000  1.462
   67    72   549.000  1.340
   67    75   317.000  1.510
   72    73   340.000  1.080
   72    74   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   320.000  1.410
   80    81   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    44    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    45    70.00000  112.02700
   39    42    47    70.00000  112.02700
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   42    39    40    70.00000  124.00000
   42    45    46    37.50000  110.70000
   42    45    53    58.35000  112.70000
   42    45    58    50.00000  109.50000
   42    47    83    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    56    50.00000  109.50000
   45    42    43    37.50000  110.70000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    59    58.35000  112.70000
   45    58    60    83.00000  116.90000
   53    45    46    37.50000  110.70000
   53    59    62    58.35000  112.70000
   53    59    83    58.35000  112.70000
   53    59    65    70.00000  112.02700
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    68    50.00000  109.50000
   59    83    82    70.00000  112.02700
   59    83    84    37.50000  110.70000
   59    83    47    58.35000  112.70000
   59    65    66    35.00000  117.00000
   59    65    69    70.00000  124.00000
   62    68    78    83.00000  116.90000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    78    79    83.00000  123.40000
   68    78    82    90.00000  111.29400
   78    82    83    65.00000  116.34900
   78    82    85    65.00000  118.96000
   82    78    79    80.00000  123.72100
   82    83    84    35.00000  109.50000
   82    83    47    70.00000  112.02700
   82    85    86    35.00000  120.00000
   82    85    87    35.00000  120.00000
   83    59    62    58.35000  112.70000
   83    47    48    37.50000  110.70000
   83    47    56    50.00000  109.50000
   47    42    43    37.50000  110.70000
   47    42    45    58.35000  112.70000
   47    83    84    37.50000  110.70000
   47    56    57    55.00000  108.50000
   56    47    48    35.00000  109.50000
   85    82    83    70.00000  124.00000
   87    85    86    35.00000  117.00000
   65    59    62    70.00000  112.02700
   65    59    83    70.00000  112.02700
   65    69    70    35.00000  120.00000
   65    69    71    35.00000  120.00000
   69    65    66    35.00000  120.00000
   71    69    70    35.00000  117.00000
   58    45    46    35.00000  109.50000
   58    45    53    50.00000  109.50000
   58    60    61    83.00000  123.40000
   58    60    67    90.00000  111.29400
   60    67    72    65.00000  118.96000
   60    67    75    65.00000  116.34900
   67    60    61    80.00000  123.72100
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    80    90.00000  110.39200
   74    72    73    35.00000  117.00000
   75    67    72    70.00000  124.00000
   75    80    81    55.00000  108.50000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    44   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    45   0.46850  1.0 1.0
   33    39    42    45   0.08550 -1.0 2.0
   33    39    42    45   0.09800  1.0 3.0
   33    39    42    47   0.46850  1.0 1.0
   33    39    42    47   0.08550 -1.0 2.0
   33    39    42    47   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    44    49  -2.26850  1.0 1.0
   39    40    44    49   3.39050 -1.0 2.0
   39    42    45    46   0.15000  1.0 3.0
   39    42    45    53   0.34400  1.0 1.0
   39    42    45    53   0.09450 -1.0 2.0
   39    42    45    53   0.11100  1.0 3.0
   39    42    45    58   0.61850  1.0 1.0
   39    42    45    58  -0.22750 -1.0 2.0
   39    42    45    58   0.15300  1.0 3.0
   39    42    47    83   0.34400  1.0 1.0
   39    42    47    83   0.09450 -1.0 2.0
   39    42    47    83   0.11100  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    56   1.05650  1.0 1.0
   39    42    47    56   0.15600 -1.0 2.0
   39    42    47    56   0.53150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    45   0.09850  1.0 1.0
   40    39    42    45   0.15250 -1.0 2.0
   40    39    42    45  -0.50650  1.0 3.0
   40    39    42    47   0.09850  1.0 1.0
   40    39    42    47   0.15250 -1.0 2.0
   40    39    42    47  -0.50650  1.0 3.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51   0.08050  1.0 3.0
   40    44    49    52   0.08050  1.0 3.0
   41    40    44    49   2.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    44   7.00000 -1.0 2.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    55   0.15000  1.0 3.0
   42    45    53    59   0.56750  1.0 1.0
   42    45    53    59  -0.07550 -1.0 2.0
   42    45    53    59   0.20000  1.0 3.0
   42    45    58    60  -0.25900  1.0 1.0
   42    45    58    60  -0.47000 -1.0 2.0
   42    45    58    60   0.11750  1.0 3.0
   42    47    56    57  -0.11600  1.0 1.0
   42    47    56    57  -0.09450 -1.0 2.0
   42    47    56    57   0.21250  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.15000  1.0 3.0
   43    42    45    58   0.23400  1.0 3.0
   43    42    47    83   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    56   0.23400  1.0 3.0
   45    42    47    83   0.56750  1.0 1.0
   45    42    47    83  -0.07550 -1.0 2.0
   45    42    47    83   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    56   0.86500  1.0 1.0
   45    42    47    56  -0.17500 -1.0 2.0
   45    42    47    56   0.20800  1.0 3.0
   45    53    59    62   0.56750  1.0 1.0
   45    53    59    62  -0.07550 -1.0 2.0
   45    53    59    62   0.20000  1.0 3.0
   45    53   -59    83   0.56750  1.0 1.0
   45    53   -59    83  -0.07550 -1.0 2.0
   45    53   -59    83   0.20000  1.0 3.0
   45    53    59    65   0.34400  1.0 1.0
   45    53    59    65   0.09450 -1.0 2.0
   45    53    59    65   0.11100  1.0 3.0
   45    58    60    61   3.00000 -1.0 2.0
   45    58    60    67   2.00000 -1.0 2.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    59   0.15000  1.0 3.0
   46    45    58    60   0.08050  1.0 3.0
   53    45    58    60  -0.25900  1.0 1.0
   53    45    58    60  -0.47000 -1.0 2.0
   53    45    58    60   0.11750  1.0 3.0
   53    59    62    63   0.15000  1.0 3.0
   53    59    62    64   0.15000  1.0 3.0
   53    59    62    68   0.62750  1.0 1.0
   53    59    62    68  -0.30950 -1.0 2.0
   53    59    62    68   0.27300  1.0 3.0
   53    59    83    82   0.34400  1.0 1.0
   53    59    83    82   0.09450 -1.0 2.0
   53    59    83    82   0.11100  1.0 3.0
   53    59    83    84   0.15000  1.0 3.0
   53    59    83    47   0.56750  1.0 1.0
   53    59    83    47  -0.07550 -1.0 2.0
   53    59    83    47   0.20000  1.0 3.0
   53    59    65    66   0.00000  1.0 1.0
   53    59    65    69   0.09850  1.0 1.0
   53    59    65    69   0.15250 -1.0 2.0
   53    59    65    69  -0.50650  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   54    53    59    83   0.15000  1.0 3.0
   54    53    59    65   0.15000  1.0 3.0
   55    53    59    62   0.15000  1.0 3.0
   55    53    59    83   0.15000  1.0 3.0
   55    53    59    65   0.15000  1.0 3.0
   59    62    68    78  -0.25900  1.0 1.0
   59    62    68    78  -0.47000 -1.0 2.0
   59    62    68    78   0.11750  1.0 3.0
   59    83   -47    42   0.56750  1.0 1.0
   59    83   -47    42  -0.07550 -1.0 2.0
   59    83   -47    42   0.20000  1.0 3.0
   59    83    47    48   0.15000  1.0 3.0
   59    83    47    56   0.86500  1.0 1.0
   59    83    47    56  -0.17500 -1.0 2.0
   59    83    47    56   0.20800  1.0 3.0
   59    65    69    70   7.00000 -1.0 2.0
   59    65    69    71   7.00000 -1.0 2.0
   62    59    83    82   0.34400  1.0 1.0
   62    59    83    82   0.09450 -1.0 2.0
   62    59    83    82   0.11100  1.0 3.0
   62    59    83    84   0.15000  1.0 3.0
   62    59    83    47   0.56750  1.0 1.0
   62    59    83    47  -0.07550 -1.0 2.0
   62    59    83    47   0.20000  1.0 3.0
   62    59    65    66   0.00000  1.0 1.0
   62    59    65    69   0.09850  1.0 1.0
   62    59    65    69   0.15250 -1.0 2.0
   62    59    65    69  -0.50650  1.0 3.0
   62    68    78    79   3.00000 -1.0 2.0
   62    68   -78    82   2.00000 -1.0 2.0
   63    62    68    78   0.08050  1.0 3.0
   64    62    68    78   0.08050  1.0 3.0
   68    78    82    83  -0.15000  1.0 1.0
   68    78    82    83   0.89550 -1.0 2.0
   68    78    82    83  -0.06900  1.0 3.0
   68    78    82    85  -0.56150  1.0 1.0
   68    78    82    85   2.19150 -1.0 2.0
   78    82   -83    59   0.09700  1.0 1.0
   78    82   -83    59   0.15600 -1.0 2.0
   78    82   -83    59  -0.50800  1.0 3.0
   78    82    83    84   0.15000  1.0 3.0
   78    82    83    47   0.09700  1.0 1.0
   78    82    83    47   0.15600 -1.0 2.0
   78    82    83    47  -0.50800  1.0 3.0
   78    82    85    86   7.00000 -1.0 2.0
   78    82    85    87   7.00000 -1.0 2.0
   79    78    82    83  -0.64400  1.0 1.0
   79    78    82    83   0.26850 -1.0 2.0
   79    78    82    85   1.00000 -1.0 2.0
   82    83    47    42   0.34400  1.0 1.0
   82    83    47    42   0.09450 -1.0 2.0
   82    83    47    42   0.11100  1.0 3.0
   82    83    47    48   0.15000  1.0 3.0
   82    83    47    56   1.05650  1.0 1.0
   82    83    47    56   0.15600 -1.0 2.0
   82    83    47    56   0.53150  1.0 3.0
   83    59    62    63   0.15000  1.0 3.0
   83    59    62    64   0.15000  1.0 3.0
   83    59   -62    68   0.62750  1.0 1.0
   83    59   -62    68  -0.30950 -1.0 2.0
   83    59   -62    68   0.27300  1.0 3.0
   83    59    65    66   0.00000  1.0 1.0
   83    59    65    69   0.09850  1.0 1.0
   83    59    65    69   0.15250 -1.0 2.0
   83    59    65    69  -0.50650  1.0 3.0
   83    82    85    86   7.00000 -1.0 2.0
   83    82    85    87   7.00000 -1.0 2.0
   83    47    56    57  -0.11600  1.0 1.0
   83    47    56    57  -0.09450 -1.0 2.0
   83    47    56    57   0.21250  1.0 3.0
   84    83    47    42   0.15000  1.0 3.0
   84    83    47    48   0.15000  1.0 3.0
   84    83    47    56   0.23400  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42   -45    53   0.56750  1.0 1.0
   47    42   -45    53  -0.07550 -1.0 2.0
   47    42   -45    53   0.20000  1.0 3.0
   47    42    45    58   0.62750  1.0 1.0
   47    42    45    58  -0.30950 -1.0 2.0
   47    42    45    58   0.27300  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   85    82    83    59   0.09850  1.0 1.0
   85    82    83    59   0.15250 -1.0 2.0
   85    82    83    59  -0.50650  1.0 3.0
   85    82    83    84   0.00000  1.0 1.0
   85    82    83    47   0.09850  1.0 1.0
   85    82    83    47   0.15250 -1.0 2.0
   85    82    83    47  -0.50650  1.0 3.0
   65    59    62    63   0.15000  1.0 3.0
   65    59    62    64   0.15000  1.0 3.0
   65    59    62    68   0.61850  1.0 1.0
   65    59    62    68  -0.22750 -1.0 2.0
   65    59    62    68   0.15300  1.0 3.0
   65    59    83    82   0.31000  1.0 1.0
   65    59    83    82   0.14700 -1.0 2.0
   65    59    83    82   0.07550  1.0 3.0
   65    59    83    84   0.15000  1.0 3.0
   65    59    83    47   0.34400  1.0 1.0
   65    59    83    47   0.09450 -1.0 2.0
   65    59    83    47   0.11100  1.0 3.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    71   7.00000 -1.0 2.0
   58    45    53    54   0.23400  1.0 3.0
   58    45    53    55   0.23400  1.0 3.0
   58    45    53    59   0.62750  1.0 1.0
   58    45    53    59  -0.30950 -1.0 2.0
   58    45    53    59   0.27300  1.0 3.0
   58    60    67    72  -0.56150  1.0 1.0
   58    60    67    72   2.19150 -1.0 2.0
   58    60    67    75  -0.15000  1.0 1.0
   58    60    67    75   0.89550 -1.0 2.0
   58    60    67    75  -0.06900  1.0 3.0
   60    67    72    73   7.00000 -1.0 2.0
   60    67    72    74   7.00000 -1.0 2.0
   60    67    75    76   0.15000  1.0 3.0
   60    67    75    77   0.15000  1.0 3.0
   60    67    75    80   0.09700  1.0 1.0
   60    67    75    80   0.15600 -1.0 2.0
   60    67    75    80  -0.50800  1.0 3.0
   61    60    67    72   1.00000 -1.0 2.0
   61    60    67    75  -0.64400  1.0 1.0
   61    60    67    75   0.26850 -1.0 2.0
   67    75    80    81  -0.07800  1.0 1.0
   67    75    80    81  -0.21500 -1.0 2.0
   67    75    80    81  -0.03150  1.0 3.0
   72    67    75    76   0.00000  1.0 1.0
   72    67    75    77   0.00000  1.0 1.0
   72    67    75    80   0.67800  1.0 1.0
   72    67    75    80   0.47050 -1.0 2.0
   72    67    75    80  -0.62500  1.0 3.0
   75    67    72    73   7.00000 -1.0 2.0
   75    67    72    74   7.00000 -1.0 2.0
   76    75    80    81   0.19450  1.0 3.0
   77    75    80    81   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
   33    42    39    40  15.00000 -1.0 2.0
   41    44    40    39  15.00000 -1.0 2.0
   68    82    78    79  10.50000 -1.0 2.0
   78    83    82    85   1.10000 -1.0 2.0
   86    87    85    82   1.10000 -1.0 2.0
   59    66    65    69  15.00000 -1.0 2.0
   70    71    69    65  15.00000 -1.0 2.0
   58    67    60    61  10.50000 -1.0 2.0
   60    75    67    72  15.00000 -1.0 2.0
   73    74    72    67  15.00000 -1.0 2.0
END
