* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    166    243     484
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02063    92.82470    35.55734
    3     1 S   H    _H1_     3     1.02123    33.13647   156.31809
    4     1 S   H    _H2_     4     1.02071    87.49977   -73.04395
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.84640    97.34771  -178.14987
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C4_    37     1.52451   112.41131   179.94065
   38    33 S   OH   _O25    91     1.43403   108.19773    61.86420
   39    38 S   HO   _H57    92     0.96770   106.18940   -58.53649
   40    37 S   CM   _C5_    38     1.35072   120.80962   146.17531
   41    37 S   CT   _C21    77     1.51242   118.45421   -36.86073
   42    41 S   HC   _H49    78     1.08619   108.14237  -146.93747
   43    41 S   HC   _H50    79     1.08961   107.62328   -31.74767
   44    40 S   CT   _C14    39     1.51204   124.96070     4.84205
   45    40 S   OH   _O24    75     1.38783   119.97814  -176.52424
   46    45 S   HO   _H56    76     0.96060   109.46698  -180.00000
   47    41 S   CM   _C7_    80     1.49244   111.35106    88.10918
   48    47 S   HC   _H28    81     1.09008   114.44435    29.95608
   49    44 S   CO4  _C6_    40     1.52911   112.55846    -4.26737
   50    49 S   O    _O22    41     1.23287   121.83592   159.75696
   51    44 S   CT   _C22    59     1.53386   111.03005   118.72180
   52    51 S   HC   _H51    60     1.08459   107.39485    59.98727
   53    51 S   HC   _H52    61     1.08688   106.90519   174.21372
   54    44 S   OH   _O26    73     1.42403   108.42752  -120.93962
   55    54 S   HO   _H58    74     0.97075   106.59791   179.98022
   56    47 S   CM   _C9_    82     1.34699   127.62596  -147.94992
   57    33 S   CT   _C12    42     1.54482   108.54942   -54.38949
   58    57 S   HC   _H30    43     1.08306   111.12346    67.94175
   59    51 S   CM   _C8_    62     1.49086   113.18390   -65.51431
   60    59 S   HC   _H29    63     1.08911   114.43469   -60.37063
   61    56 S   CT   _C15    83     1.50286   125.18582  -179.97202
   62    61 S   HC   _H31    84     1.09483   110.10764    89.98543
   63    61 S   HC   _H32    85     1.09257   113.55369   -31.08966
   64    61 S   HC   _H33    86     1.09473   110.04957  -150.71418
   65    56 S   CT   _C16    87     1.50496   120.45122     0.49653
   66    65 S   HC   _H34    88     1.09541   112.42902    90.00996
   67    65 S   HC   _H35    89     1.09453   110.30467  -149.85153
   68    65 S   HC   _H36    90     1.09517   110.22731   -29.99069
   69    57 S   CO4  _C11    44     1.50590   114.78063   -49.73751
   70    69 S   O    _O23    45     1.22993   120.91108   -26.56859
   71    59 S   CM   _C10    64     1.34663   127.29671   122.38853
   72    69 S   CT   _C23    46     1.52110   116.08400   151.66752
   73    72 S   HC   _H53    47     1.09714   106.37849   -90.05877
   74    72 S   HC   _H54    48     1.09613   108.43068    25.81124
   75    71 S   CT   _C17    65     1.50261   124.98517   179.97202
   76    75 S   HC   _H37    66     1.09386   110.09999    90.03532
   77    75 S   HC   _H38    67     1.09494   110.04491  -150.62169
   78    75 S   HC   _H39    68     1.09304   113.42266   -31.07302
   79    71 S   CT   _C18    69     1.50549   120.50323     0.67840
   80    79 S   HC   _H40    70     1.09586   112.39155    89.97524
   81    79 S   HC   _H41    71     1.09485   110.29529  -149.91086
   82    79 S   HC   _H42    72     1.09441   110.21379   -30.04947
   83    72 S   CT   _C24    49     1.53513   113.82777   148.68094
   84    83 S   HC   _H55    50     1.09749   109.53262    59.70117
   85    83 S   CT   _C19    51     1.53089   111.42835   -60.05335
   86    85 S   HC   _H43    52     1.09565   110.66211   -59.53148
   87    85 S   HC   _H44    53     1.09506   111.28193    60.42510
   88    85 S   HC   _H45    54     1.09497   111.38167  -179.06038
   89    83 S   CT   _C20    55     1.53070   110.01378   178.09053
   90    89 S   HC   _H46    56     1.09481   110.83202    60.56926
   91    89 S   HC   _H47    57     1.09582   111.27127   -59.67895
   92    89 S   HC   _H48    58     1.09580   110.81348  -179.90513
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   2   1   1  18   7   1  16  10   4   3  15   4   1  10   3
  12   5  10   5   4   3   1   8   7   3  10   3   7   3   2   1
   3   2   1   1   8   4   8  12   5   4   7   3   2   1   3   2
   1   1   9   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    49    57    58    69    41    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    49    50    57    58    69    70    72    45    41    42    43    47    38    39  
   35    36  
   36  
    0  
   40    44    49    57    58    69    51    54    45    46    41    42    43    47    48    56    38    39  
   39    40    41    49    57    58    69  
   57  
   44    49    50    57    51    52    53    59    54    55    45    46    41    42    43    47  
   42    43    47    48    56    61    65    44    45    57  
   43    47    48    56  
   47    48    56  
   49    50    57    58    69    51    52    53    59    60    71    54    55    45    46  
   46    49    51    54  
    0  
   48    56    61    62    63    64    65    66    67    68  
   56    61    65  
   50    57    58    69    70    72    51    52    53    59    54    55  
   57    58    69    51    54  
   52    53    59    60    71    75    79    54    55    57  
   53    59    60    71    54  
   59    60    71    54  
   55    57    59  
    0  
   61    62    63    64    65    66    67    68  
   58    69    70    72    73    74    83  
   69    70    72  
   60    71    75    76    77    78    79    80    81    82  
   71    75    79  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    72    73    74    83    84    85    89  
   72    73    74    83  
   75    76    77    78    79    80    81    82  
   73    74    83    84    85    86    87    88    89    90    91    92  
   74    83    84    85    89  
   83    84    85    89  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89    90    91    92  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   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  -0.335000   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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   320.000  1.410
   37    40   549.000  1.340
   37    41   317.000  1.510
   40    44   317.000  1.510
   40    45   510.000  1.338
   44    49   317.000  1.522
   44    51   268.000  1.529
   44    54   320.000  1.410
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    69   317.000  1.522
   69    70   570.000  1.229
   69    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   317.000  1.510
   59    60   340.000  1.080
   59    71   549.000  1.340
   71    75   317.000  1.510
   71    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   54    55   553.000  0.945
   45    46   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    48   340.000  1.080
   47    56   549.000  1.340
   56    61   317.000  1.510
   56    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    39   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    41    65.00000  117.92700
   33    57    49    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    69    63.00000  111.10000
   33    38    39    55.00000  108.50000
   37    40    44    70.00000  124.00000
   37    40    45    80.00000  121.38400
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    47    70.00000  110.12100
   40    44    49    70.00000  109.06800
   40    44    51    70.00000  112.02700
   40    44    54    90.00000  110.39200
   40    45    46    70.00000  107.45700
   44    49    50    80.00000  120.40000
   44    49    57    70.00000  116.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    59    70.00000  112.02700
   44    54    55    55.00000  108.50000
   49    57    58    35.00000  109.50000
   49    57    69    75.00000  107.99600
   57    33    37    70.00000  112.02700
   57    49    50    80.00000  120.40000
   57    69    70    80.00000  120.40000
   57    69    72    70.00000  116.00000
   69    57    58    35.00000  109.50000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    83    63.00000  111.10000
   72    69    70    80.00000  120.40000
   72    83    84    37.50000  110.70000
   72    83    85    58.35000  112.70000
   72    83    89    58.35000  112.70000
   74    72    73    33.00000  107.80000
   83    72    73    37.50000  110.70000
   83    72    74    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    37.50000  110.70000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   51    44    49    63.00000  111.10000
   51    59    60    35.00000  117.00000
   51    59    71    70.00000  124.00000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    71    75    70.00000  124.00000
   59    71    79    70.00000  124.00000
   71    59    60    35.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    71    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   54    44    49    90.00000  109.61100
   54    44    51    50.00000  109.50000
   45    40    44    90.00000  109.34000
   41    37    40    70.00000  124.00000
   41    47    48    35.00000  117.00000
   41    47    56    70.00000  124.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    56    61    70.00000  124.00000
   47    56    65    70.00000  124.00000
   56    47    48    35.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    56    61    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    57    50.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    57    49   0.56750  1.0 1.0
   29    33    57    49  -0.07550 -1.0 2.0
   29    33    57    49   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    69   0.56750  1.0 1.0
   29    33    57    69  -0.07550 -1.0 2.0
   29    33    57    69   0.20000  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    43   0.34800  1.0 3.0
   33    37    41    47   0.09700  1.0 1.0
   33    37    41    47   0.15600 -1.0 2.0
   33    37    41    47  -0.50800  1.0 3.0
   33    57    69    70   0.30150 -1.0 2.0
   33    57    69    72   0.60050  1.0 1.0
   33    57    69    72   0.05600 -1.0 2.0
   33    57    69    72   0.26150  1.0 3.0
   37    33    57    49  -0.98800  1.0 1.0
   37    33    57    49   0.48800 -1.0 2.0
   37    33    57    49   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    69  -0.98800  1.0 1.0
   37    33    57    69   0.48800 -1.0 2.0
   37    33    57    69   0.76800  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    49  -0.51250  1.0 1.0
   37    40   -44    49  -0.88800 -1.0 2.0
   37    40   -44    49   0.08850  1.0 3.0
   37    40    44    51   0.09850  1.0 1.0
   37    40    44    51   0.15250 -1.0 2.0
   37    40    44    51  -0.50650  1.0 3.0
   37    40    44    54   0.67800  1.0 1.0
   37    40    44    54   0.47050 -1.0 2.0
   37    40    44    54  -0.62500  1.0 3.0
   37    40    45    46  -0.66100  1.0 1.0
   37    40    45    46   1.20850 -1.0 2.0
   37    40    45    46  -0.36000  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    56  -0.28300  1.0 1.0
   37    41    47    56   0.26700 -1.0 2.0
   37    41    47    56  -0.63300  1.0 3.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    37    41    47  -0.28300  1.0 1.0
   40    37    41    47   0.26700 -1.0 2.0
   40    37    41    47  -0.63300  1.0 3.0
   40    44    49    50   0.30150 -1.0 2.0
   40    44    49    57   0.65300  1.0 1.0
   40    44    49    57  -0.03850 -1.0 2.0
   40    44    49    57   0.33900  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    59   0.31000  1.0 1.0
   40    44    51    59   0.14700 -1.0 2.0
   40    44    51    59   0.07550  1.0 3.0
   40    44    54    55  -0.07800  1.0 1.0
   40    44    54    55  -0.21500 -1.0 2.0
   40    44    54    55  -0.03150  1.0 3.0
   44    40    45    46   2.00000 -1.0 2.0
   44    49   -57    33   0.60050  1.0 1.0
   44    49   -57    33   0.05600 -1.0 2.0
   44    49   -57    33   0.26150  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    69   0.65300  1.0 1.0
   44    49    57    69  -0.03850 -1.0 2.0
   44    49    57    69   0.33900  1.0 3.0
   44    51    59    60   0.00000  1.0 1.0
   44    51    59    71   0.09850  1.0 1.0
   44    51    59    71   0.15250 -1.0 2.0
   44    51    59    71  -0.50650  1.0 3.0
   49    44    51    52  -0.11250  1.0 3.0
   49    44    51    53  -0.11250  1.0 3.0
   49    44    51    59  -0.98800  1.0 1.0
   49    44    51    59   0.48800 -1.0 2.0
   49    44    51    59   0.76800  1.0 3.0
   49    44    54    55   0.91850  1.0 1.0
   49    44    54    55   0.57950  1.0 3.0
   49    57    69    70   0.30150 -1.0 2.0
   49    57    69    72   0.65300  1.0 1.0
   49    57    69    72  -0.03850 -1.0 2.0
   49    57    69    72   0.33900  1.0 3.0
   50    49    57    33   0.30150 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    69   0.30150 -1.0 2.0
   57    33   -37    40   0.09850  1.0 1.0
   57    33   -37    40   0.15250 -1.0 2.0
   57    33   -37    40  -0.50650  1.0 3.0
   57    33    37    41   0.46850  1.0 1.0
   57    33    37    41   0.08550 -1.0 2.0
   57    33    37    41   0.09800  1.0 3.0
   57    33    38    39  -0.11600  1.0 1.0
   57    33    38    39  -0.09450 -1.0 2.0
   57    33    38    39   0.21250  1.0 3.0
   57    69    72    73   0.00000  1.0 1.0
   57    69    72    74   0.00000  1.0 1.0
   57    69    72    83   0.60050  1.0 1.0
   57    69    72    83   0.05600 -1.0 2.0
   57    69    72    83   0.26150  1.0 3.0
   58    57    69    70   0.00000  1.0 1.0
   58    57    69    72   0.00000  1.0 1.0
   69    72    83    84  -0.11250  1.0 3.0
   69    72    83    85  -0.95700  1.0 1.0
   69    72    83    85  -0.18200 -1.0 2.0
   69    72    83    85   0.29450  1.0 3.0
   69    72    83    89  -0.95700  1.0 1.0
   69    72    83    89  -0.18200 -1.0 2.0
   69    72    83    89   0.29450  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    83   0.30150 -1.0 2.0
   72    83    85    86   0.15000  1.0 3.0
   72    83    85    87   0.15000  1.0 3.0
   72    83    85    88   0.15000  1.0 3.0
   72    83    89    90   0.15000  1.0 3.0
   72    83    89    91   0.15000  1.0 3.0
   72    83    89    92   0.15000  1.0 3.0
   73    72    83    84   0.15000  1.0 3.0
   73    72    83    85   0.15000  1.0 3.0
   73    72    83    89   0.15000  1.0 3.0
   74    72    83    84   0.15000  1.0 3.0
   74    72    83    85   0.15000  1.0 3.0
   74    72    83    89   0.15000  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    92   0.15000  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.15000  1.0 3.0
   85    83    89    92   0.15000  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
   51    44    49    50   0.30150 -1.0 2.0
   51    44    49    57   0.60050  1.0 1.0
   51    44    49    57   0.05600 -1.0 2.0
   51    44    49    57   0.26150  1.0 3.0
   51    44    54    55  -0.11600  1.0 1.0
   51    44    54    55  -0.09450 -1.0 2.0
   51    44    54    55   0.21250  1.0 3.0
   51    59    71    75   7.00000 -1.0 2.0
   51    59    71    79   7.00000 -1.0 2.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    71   0.00000  1.0 1.0
   53    51    59    60   0.33100  1.0 3.0
   53    51    59    71   0.00000  1.0 1.0
   59    71    75    76   0.00000  1.0 1.0
   59    71    75    77   0.00000  1.0 1.0
   59    71    75    78   0.00000  1.0 1.0
   59    71    79    80   0.00000  1.0 1.0
   59    71    79    81   0.00000  1.0 1.0
   59    71    79    82   0.00000  1.0 1.0
   60    59    71    75   7.00000 -1.0 2.0
   60    59    71    79   7.00000 -1.0 2.0
   75    71    79    80   0.34800  1.0 3.0
   75    71    79    81   0.34800  1.0 3.0
   75    71    79    82   0.34800  1.0 3.0
   79    71    75    76   0.34800  1.0 3.0
   79    71    75    77   0.34800  1.0 3.0
   79    71    75    78   0.34800  1.0 3.0
   54    44    49    50   0.30150 -1.0 2.0
   54    44    49    57   0.55300  1.0 1.0
   54    44    49    57   1.25850 -1.0 2.0
   54    44    49    57  -0.23600  1.0 3.0
   54    44    51    52   0.23400  1.0 3.0
   54    44    51    53   0.23400  1.0 3.0
   54    44    51    59   1.05650  1.0 1.0
   54    44    51    59   0.15600 -1.0 2.0
   54    44    51    59   0.53150  1.0 3.0
   45    40    44    49   0.09700  1.0 1.0
   45    40    44    49   0.15600 -1.0 2.0
   45    40    44    49  -0.50800  1.0 3.0
   45    40    44    51   0.09700  1.0 1.0
   45    40    44    51   0.15600 -1.0 2.0
   45    40    44    51  -0.50800  1.0 3.0
   45    40    44    54   0.09700  1.0 1.0
   45    40    44    54   0.15600 -1.0 2.0
   45    40    44    54  -0.50800  1.0 3.0
   41    37    40    44   7.00000 -1.0 2.0
   41    37    40    45   7.00000 -1.0 2.0
   41    47    56    61   7.00000 -1.0 2.0
   41    47    56    65   7.00000 -1.0 2.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    56   0.00000  1.0 1.0
   43    41    47    48   0.33100  1.0 3.0
   43    41    47    56   0.00000  1.0 1.0
   47    56    61    62   0.00000  1.0 1.0
   47    56    61    63   0.00000  1.0 1.0
   47    56    61    64   0.00000  1.0 1.0
   47    56    65    66   0.00000  1.0 1.0
   47    56    65    67   0.00000  1.0 1.0
   47    56    65    68   0.00000  1.0 1.0
   48    47    56    61   7.00000 -1.0 2.0
   48    47    56    65   7.00000 -1.0 2.0
   61    56    65    66   0.34800  1.0 3.0
   61    56    65    67   0.34800  1.0 3.0
   61    56    65    68   0.34800  1.0 3.0
   65    56    61    62   0.34800  1.0 3.0
   65    56    61    63   0.34800  1.0 3.0
   65    56    61    64   0.34800  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    41   0.18000  1.0 1.0
   38    33    37    41   0.16450 -1.0 2.0
   38    33    37    41   0.04450  1.0 3.0
   38    33    57    49  -0.09450  1.0 1.0
   38    33    57    49  -1.12950 -1.0 2.0
   38    33    57    49   0.54000  1.0 3.0
   38    33    57    58   0.23400  1.0 3.0
   38    33    57    69  -0.09450  1.0 1.0
   38    33    57    69  -1.12950 -1.0 2.0
   38    33    57    69   0.54000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    40   1.10000 -1.0 2.0
   44    45    40    37   1.10000 -1.0 2.0
   44    57    49    50  10.50000 -1.0 2.0
   57    72    69    70  10.50000 -1.0 2.0
   51    60    59    71  15.00000 -1.0 2.0
   75    79    71    59  15.00000 -1.0 2.0
   41    48    47    56  15.00000 -1.0 2.0
   61    65    56    47  15.00000 -1.0 2.0
END
