* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    30.64613    92.70540   -26.80323
    2     1 S   H    _HN1     2     1.02811    63.94709    26.13287
    3     1 S   H    _H1_     3     1.02744    51.63758  -117.96571
    4     1 S   H    _H2_     4     1.03380   146.67911   -57.84466
    5     1 S   CT   _CA1     5     1.50176   101.07424   134.18379
    6     5 S   HC   _HA1     6     1.09537   104.58238   113.25053
    7     5 S   CO3  _C1_     7     1.53740   113.83938    -6.64514
    8     7 S   O2Z  _O11     8     1.26410   115.16758   -20.19540
    9     7 S   O2Z  _O12     9     1.26283   115.11717   159.29390
   10     5 S   CT   _CB1    10     1.53125   107.40346  -128.06333
   11    10 S   HC   HB11    11     1.09468   109.31298   -33.52970
   12    10 S   HC   HB12    12     1.09812   110.64991    82.32095
   13    10 S   CT   _CG1    13     1.53266   112.68209  -155.52892
   14    13 S   HC   HG11    14     1.09511   110.38123   -90.77443
   15    13 S   HC   HG12    15     1.09649   110.40242    28.50542
   16    13 S   C    _CD1    16     1.51824   111.48423   148.69988
   17    16 S   O    _OE1    17     1.22800   122.78302    21.66459
   18    16 S   N    _N2_    18     1.38540   112.29994  -158.09472
   19    18 S   H    _HN2    19     1.01664   119.14507    -3.97739
   20    18 S   CT1  _CA2    20     1.46174   123.01271   171.42973
   21    20 S   HC   _HA2    21     1.09784   108.90192   -21.51882
   22    20 S   C    _C2_    22     1.53399   107.26106  -136.34137
   23    22 S   O    _O2_    23     1.23021   122.49312  -143.45654
   24    20 S   CT   _CB2    32     1.53418   113.05421   101.01646
   25    24 S   HC   HB21    33     1.09454   110.62103    54.83761
   26    24 S   HC   HB22    34     1.09470   109.41139   173.44408
   27    22 S   N    _N3_    24     1.38680   113.28445    43.35996
   28    27 S   H    _HN3    25     1.01710   119.36626    -3.98615
   29    24 S   S    _SG2    35     1.82403   111.50804   -66.20360
   30    27 S   CT   _CA3    26     1.45321   122.80788  -178.44556
   31    30 S   HC   HA31    27     1.09475   107.17299  -155.84962
   32    30 S   HC   HA32    28     1.09552   108.56218   -38.77269
   33    29 S   CT   _C12    36     1.85884   100.58802  -149.28506
   34    33 S   HC   _H3_    37     1.09980   106.28598    41.26503
   35    30 S   CO3  _C3_    29     1.53169   114.26735    83.65045
   36    35 S   O2Z  _O31    30     1.26332   116.36437    17.92599
   37    35 S   O2Z  _O32    31     1.26521   114.32380  -162.56069
   38    33 S   CT   _C11    38     1.55221   109.33022   -74.65440
   39    38 S   HC   _H19    39     1.09782   109.06230   174.76726
   40    38 S   HC   _H20    40     1.09478   108.98869    61.70901
   41    33 S   CT   _C13    61     1.57471   109.44479   158.32734
   42    41 S   OM   _O36    62     1.32420   108.78822  -173.81116
   43    41 S   HC   _H4_    63     1.10056   106.53910    56.53121
   44    38 S   CM   _C10    41     1.50684   115.63385   -64.57153
   45    44 S   HC   _H18    42     1.08903   115.13385   -66.54513
   46    41 S   CM   _C14    64     1.52652   109.97360   -59.35320
   47    46 S   HC   _H21    65     1.09018   117.44376   -58.23348
   48    44 S   CM   _C9_    43     1.34300   127.87940   114.30714
   49    48 S   HC   _H17    44     1.08908   117.01004   179.43145
   50    46 S   CM   _C15    66     1.34419   123.88339   117.88503
   51    50 S   HC   _H22    67     1.08734   119.05778     2.36190
   52    48 S   CT   _C8_    45     1.50196   127.76606    -0.56058
   53    52 S   HC   _H15    46     1.09686   108.31012   123.93831
   54    52 S   HC   _H16    47     1.09311   111.81929     7.26444
   55    50 S   CT   _C16    68     1.50409   123.79082  -174.98218
   56    55 S   HC   _H5_    69     1.09642   110.65594    -7.73860
   57    52 S   CT   _C7_    48     1.53108   111.29971  -115.67991
   58    57 S   HC   _H13    49     1.09648   110.05787    53.98267
   59    57 S   HC   _H14    50     1.09736   109.70054   -63.28800
   60    55 S   CT   _C17    70     1.53778   110.61588   114.44619
   61    60 S   HC   _H23    71     1.09455   109.94311   -48.97286
   62    60 S   HC   _H24    72     1.09805   109.88521    67.98912
   63    55 S   OH   _O35    89     1.42798   108.36416  -124.98326
   64    63 S   HO   _H33    90     0.97230   107.98673   -59.16301
   65    57 S   CT   _C6_    51     1.53013   111.30604   175.21091
   66    65 S   HC   _H11    52     1.09670   109.66721    59.07171
   67    65 S   HC   _H12    53     1.09690   109.51326   -58.25215
   68    60 S   CM   _C18    73     1.50549   112.14517  -172.94442
   69    68 S   HC   _H25    74     1.08915   115.23666   -65.23744
   70    65 S   CT   _C5_    54     1.52808   111.30347  -179.39477
   71    70 S   HC   _H9_    55     1.09517   109.84132    56.99067
   72    70 S   HC   _H10    56     1.09612   109.86915   -60.70428
   73    68 S   CM   _C19    75     1.34241   127.68148   116.63879
   74    73 S   HC   _H26    76     1.08909   117.14149   178.36314
   75    70 S   CT   _C4_    57     1.51995   111.54488   177.96222
   76    75 S   HC   _H6_    58     1.09461   111.01247    60.28539
   77    75 S   HC   _H7_    59     1.09465   110.96508   -60.23928
   78    75 S   HC   _H8_    60     1.09449   110.25359  -179.91607
   79    73 S   CT   _C20    77     1.50182   127.74402    -2.53335
   80    79 S   HC   _H27    78     1.09709   108.06681  -133.10171
   81    79 S   HC   _H28    79     1.09485   111.51293   -17.05241
   82    79 S   CT   _C21    80     1.53083   111.45908   106.32031
   83    82 S   HC   _H29    81     1.09757   109.98371    55.83998
   84    82 S   HC   _H30    82     1.09719   109.50716   -60.96576
   85    82 S   CT   _C22    83     1.52647   111.34410   177.29087
   86    85 S   HC   _H31    84     1.09643   109.45723    48.16442
   87    85 S   HC   _H32    85     1.09655   109.73275   -69.00715
   88    85 S   CO3  _C23    86     1.53091   114.59040   169.59523
   89    88 S   O2Z  _O34    87     1.26485   114.27463  -155.80650
   90    88 S   O2Z  _O33    88     1.26320   116.69083    23.64431
  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
  13   8   2   1   1  11   5   4   8   4   3   7   3   7   3   8
   4   9   4   9   5   4   9   6   9   5   4   9   5   4   2   1
   9   5   4   7   3   6   5   4   8   4   3   2   1   1   9   5
   4   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    50  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    50    51    55    44  
   43    46    47    50  
   46    47    50  
   45    48    49    52    53    54    57  
   48    49    52  
   47    50    51    55    56    60    63  
   50    51    55  
   49    52    53    54    57    58    59    65  
   52    53    54    57  
   51    55    56    60    61    62    68    63    64  
   55    56    60    63  
   53    54    57    58    59    65    66    67    70  
   54    57    58    59    65  
   57    58    59    65  
   56    60    61    62    68    69    73    63    64  
   60    61    62    68    63    64  
   58    59    65    66    67    70    71    72    75  
   59    65    66    67    70  
   65    66    67    70  
   61    62    68    69    73    74    79    63    64  
   62    68    69    73    63  
   68    69    73    63  
   64    68  
    0  
   66    67    70    71    72    75    76    77    78  
   67    70    71    72    75  
   70    71    72    75  
   69    73    74    79    80    81    82  
   73    74    79  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    84    85  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90  
   87    88    89    90  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    55   317.000  1.510
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   317.000  1.510
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   63    64   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    70.00000  112.02700
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    48    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  120.00000
   44    48    52    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    70.00000  112.02700
   52    48    49    35.00000  117.00000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    35.00000  117.00000
   41    46    50    70.00000  124.00000
   43    41    42    45.00000  125.66300
   46    41    42    85.00000  110.90400
   46    41    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    55    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    60    70.00000  112.02700
   50    55    63    90.00000  110.39200
   55    50    51    35.00000  117.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    68    70.00000  112.02700
   55    63    64    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    68    69    35.00000  117.00000
   60    68    73    70.00000  124.00000
   62    60    61    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    62    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    70.00000  124.00000
   73    68    69    35.00000  120.00000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    70.00000  112.02700
   79    73    74    35.00000  117.00000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    70.00000  109.69300
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   63    55    56    35.00000  109.50000
   63    55    60    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    48   0.09850  1.0 1.0
   33    38    44    48   0.15250 -1.0 2.0
   33    38    44    48  -0.50650  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    50   0.09850  1.0 1.0
   33    41    46    50   0.15250 -1.0 2.0
   33    41    46    50  -0.50650  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.34400  1.0 1.0
   38    33    41    46   0.09450 -1.0 2.0
   38    33    41    46   0.11100  1.0 3.0
   38    44    48    49   7.00000 -1.0 2.0
   38    44    48    52   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    57   0.09850  1.0 1.0
   44    48    52    57   0.15250 -1.0 2.0
   44    48    52    57  -0.50650  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    59   0.15000  1.0 3.0
   48    52    57    65   0.34400  1.0 1.0
   48    52    57    65   0.09450 -1.0 2.0
   48    52    57    65   0.11100  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    54   0.33100  1.0 3.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    65    66   0.15000  1.0 3.0
   52    57    65    67   0.15000  1.0 3.0
   52    57    65    70   0.56750  1.0 1.0
   52    57    65    70  -0.07550 -1.0 2.0
   52    57    65    70   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    65   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    65   0.15000  1.0 3.0
   57    65    70    71   0.15000  1.0 3.0
   57    65    70    72   0.15000  1.0 3.0
   57    65    70    75   0.56750  1.0 1.0
   57    65    70    75  -0.07550 -1.0 2.0
   57    65    70    75   0.20000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    70   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    70   0.15000  1.0 3.0
   65    70    75    76   0.15000  1.0 3.0
   65    70    75    77   0.15000  1.0 3.0
   65    70    75    78   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    75   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    75   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    55   7.00000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    50   0.39000  1.0 1.0
   42    41    46    50  -0.05800 -1.0 2.0
   42    41    46    50  -0.55150  1.0 3.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    50   0.00000  1.0 1.0
   46    50    55    56   0.00000  1.0 1.0
   46    50    55    60   0.09850  1.0 1.0
   46    50    55    60   0.15250 -1.0 2.0
   46    50    55    60  -0.50650  1.0 3.0
   46    50    55    63   0.67800  1.0 1.0
   46    50    55    63   0.47050 -1.0 2.0
   46    50    55    63  -0.62500  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    68   0.31000  1.0 1.0
   50    55    60    68   0.14700 -1.0 2.0
   50    55    60    68   0.07550  1.0 3.0
   50    55    63    64  -0.07800  1.0 1.0
   50    55    63    64  -0.21500 -1.0 2.0
   50    55    63    64  -0.03150  1.0 3.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    60   0.00000  1.0 1.0
   51    50    55    63   0.00000  1.0 1.0
   55    60    68    69   0.00000  1.0 1.0
   55    60    68    73   0.09850  1.0 1.0
   55    60    68    73   0.15250 -1.0 2.0
   55    60    68    73  -0.50650  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    68   0.15000  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   60    55    63    64  -0.11600  1.0 1.0
   60    55    63    64  -0.09450 -1.0 2.0
   60    55    63    64   0.21250  1.0 3.0
   60    68    73    74   7.00000 -1.0 2.0
   60    68    73    79   7.00000 -1.0 2.0
   61    60    68    69   0.33100  1.0 3.0
   61    60    68    73   0.00000  1.0 1.0
   62    60    68    69   0.33100  1.0 3.0
   62    60    68    73   0.00000  1.0 1.0
   68    73    79    80   0.00000  1.0 1.0
   68    73    79    81   0.00000  1.0 1.0
   68    73    79    82   0.09850  1.0 1.0
   68    73    79    82   0.15250 -1.0 2.0
   68    73    79    82  -0.50650  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    79   7.00000 -1.0 2.0
   73    79    82    83   0.15000  1.0 3.0
   73    79    82    84   0.15000  1.0 3.0
   73    79    82    85   0.34400  1.0 1.0
   73    79    82    85   0.09450 -1.0 2.0
   73    79    82    85   0.11100  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.33100  1.0 3.0
   74    73    79    82   0.00000  1.0 1.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88  -1.63150  1.0 1.0
   79    82    85    88  -0.43550 -1.0 2.0
   79    82    85    88   0.24500  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   82    85    88    89   0.41150 -1.0 2.0
   82    85    88    90   0.41150 -1.0 2.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88  -0.11250  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   63    55    60    61   0.23400  1.0 3.0
   63    55    60    62   0.23400  1.0 3.0
   63    55    60    68   1.05650  1.0 1.0
   63    55    60    68   0.15600 -1.0 2.0
   63    55    60    68   0.53150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    44    48  15.00000 -1.0 2.0
   52    49    48    44  15.00000 -1.0 2.0
   41    47    46    50  15.00000 -1.0 2.0
   55    51    50    46  15.00000 -1.0 2.0
   60    69    68    73  15.00000 -1.0 2.0
   79    74    73    68  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
END
