* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    29.55969    91.37649   -23.43540
    2     1 S   H    _HN1     2     1.02724     7.45656   142.26312
    3     1 S   H    _H1_     3     1.02755   101.88888   -69.58360
    4     1 S   H    _H2_     4     1.03582   105.97871    41.80026
    5     1 S   CT   _CA1     5     1.49978   118.32807   167.09024
    6     5 S   HC   _HA1     6     1.09587   105.15547    63.37089
    7     5 S   CO3  _C1_     7     1.53822   112.77404   -56.60078
    8     7 S   O2Z  _O11     8     1.26287   115.41879   -47.63092
    9     7 S   O2Z  _O12     9     1.26340   114.76428   131.59628
   10     5 S   CT   _CB1    10     1.52977   107.15873  -178.97550
   11    10 S   HC   HB11    11     1.09830   109.29064   -50.67380
   12    10 S   HC   HB12    12     1.09838   110.29390    65.68755
   13    10 S   CT   _CG1    13     1.53005   113.04469  -172.12231
   14    13 S   HC   HG11    14     1.09578   110.28587   -59.57802
   15    13 S   HC   HG12    15     1.09587   110.45879    59.84373
   16    13 S   C    _CD1    16     1.51738   111.30361   179.73830
   17    16 S   O    _OE1    17     1.22807   122.95777   -20.32305
   18    16 S   N    _N2_    18     1.38571   112.18117   160.26742
   19    18 S   H    _HN2    19     1.01558   119.41430     2.54468
   20    18 S   CT1  _CA2    20     1.46134   122.79247  -175.63614
   21    20 S   HC   _HA2    21     1.09730   109.17628   -11.48952
   22    20 S   C    _C2_    22     1.53320   109.05599  -127.32804
   23    22 S   O    _O2_    23     1.23043   122.28638  -151.37894
   24    20 S   CT   _CB2    32     1.53521   111.64318   109.90686
   25    24 S   HC   HB21    33     1.09399   109.66364    62.54690
   26    24 S   HC   HB22    34     1.09530   109.84927  -178.89713
   27    22 S   N    _N3_    24     1.38356   113.62682    36.22284
   28    27 S   H    _HN3    25     1.01654   119.45459    -3.65409
   29    24 S   S    _SG2    35     1.82974   111.85689   -58.50747
   30    27 S   CT   _CA3    26     1.45278   123.00389   176.98923
   31    30 S   HC   HA31    27     1.09556   107.54790   -63.23485
   32    30 S   HC   HA32    28     1.09564   107.89635    53.13161
   33    29 S   CT   _C11    36     1.84819    99.93095  -174.43458
   34    33 S   HC   _H3_    37     1.09521   107.43560    45.58677
   35    30 S   CO3  _C3_    29     1.52898   114.24187   175.13385
   36    35 S   O2Z  _O31    30     1.26347   116.08912     0.27695
   37    35 S   O2Z  _O32    31     1.26438   114.39651  -179.68847
   38    33 S   CM   _C10    38     1.51330   107.18083   -75.01422
   39    38 S   HC   _H18    39     1.08992   115.45547   -65.19870
   40    33 S   CT   _C12    58     1.55671   110.05505   164.35434
   41    40 S   HC   _H4_    59     1.09897   108.33454    60.19978
   42    38 S   CMA  _C9_    40     1.35174   125.88499   114.48997
   43    42 S   OM   _O37    41     1.26184   131.13286     1.03929
   44    40 S   CT   _C16    60     1.55778   113.02392   -61.74912
   45    44 S   HC   _H6_    61     1.09390   111.82719    20.29793
   46    42 S   CT   _C8_    42     1.53160   116.91527   179.68910
   47    46 S   HC   _H16    43     1.10069   110.07472  -138.78635
   48    46 S   HC   _H17    44     1.09945   110.15972   -24.30894
   49    44 S   CO4  _C15    62     1.51789   102.20186   -94.74403
   50    49 S   O    _O33    63     1.22571   123.85938   170.96369
   51    44 S   CT   _C17    71     1.53443   112.61108   146.16570
   52    51 S   HC   _H21    72     1.09701   111.20205    81.69957
   53    51 S   HC   _H22    73     1.09526   110.48812   -35.55702
   54    46 S   CT   _C7_    45     1.53997   114.76411    98.40178
   55    54 S   HC   _H14    46     1.09687   110.21743    55.66522
   56    54 S   HC   _H15    47     1.09738   108.00249   171.69889
   57    49 S   CT   _C14    64     1.50512   112.87362    -8.33164
   58    57 S   HC   _H19    65     1.09348   108.40353   103.80961
   59    57 S   HC   _H20    66     1.09274   110.19705  -134.14207
   60    51 S   CM   _C18    74     1.50457   111.65786  -157.96445
   61    60 S   HC   _H23    75     1.08842   115.86869   -80.35675
   62    54 S   CT   _C6_    48     1.53196   113.23954   -67.77394
   63    62 S   HC   _H12    49     1.09432   110.19784    61.78574
   64    62 S   HC   _H13    50     1.09677   109.53150   -55.86718
   65    40 S   CT   _C13    67     1.54311   112.32208  -178.74727
   66    65 S   HC   _H5_    68     1.09304   114.36395   -37.79523
   67    60 S   CM   _C19    76     1.34284   126.39474   100.85006
   68    67 S   HC   _H24    77     1.08860   117.58710   178.56128
   69    62 S   CT   _C5_    51     1.52869   111.46615  -177.22589
   70    69 S   HC   _H10    52     1.09621   109.85692   -58.37319
   71    69 S   HC   _H11    53     1.09612   109.89698    59.43553
   72    65 S   OH   _O36    69     1.42745   109.94386  -158.11566
   73    72 S   HO   _H31    70     0.97274   107.25484    65.06859
   74    67 S   CT   _C20    78     1.50396   126.90410    -2.97243
   75    74 S   HC   _H25    79     1.09610   108.02006  -133.53286
   76    74 S   HC   _H26    80     1.09524   111.30203   -17.78574
   77    69 S   CT   _C4_    54     1.52089   111.39275  -179.41316
   78    77 S   HC   _H7_    55     1.09469   111.02268   -60.08193
   79    77 S   HC   _H8_    56     1.09444   110.26410  -179.86294
   80    77 S   HC   _H9_    57     1.09451   111.01572    60.41167
   81    74 S   CT   _C21    81     1.53116   111.14817   105.18211
   82    81 S   HC   _H27    82     1.09710   110.09839    58.85481
   83    81 S   HC   _H28    83     1.09783   108.97422   -57.70578
   84    81 S   CT   _C22    84     1.52679   112.61339  -177.75415
   85    84 S   HC   _H29    85     1.09784   107.99494   166.66199
   86    84 S   HC   _H30    86     1.09724   109.61042    50.80851
   87    84 S   CO3  _C23    87     1.53141   117.57961   -73.55071
   88    87 S   O2Z  _O35    88     1.26058   116.74839    -7.94488
   89    87 S   O2Z  _O34    89     1.26604   114.09159   172.58463
  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   9   5   4   3
  16   7   2   1   1  11   4  17   8   8   4  15   8   9   5   4
  11   5   9   4   3   9   5   4   6   4   3   7   3   9   5   4
   3   2   8   4   6   5   4   1   1   9   5   4   3   2   1   1
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    65    66    72    51  
   38    39    42    40    41    44    65  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    65  
   42    43    46    40  
   41    44    45    49    50    57    58    59    65    66    72    73    51    52    53    60    42  
   44    45    49    57    65    66    72    51  
   43    46    47    48    54    55    56    62  
   46    47    48    54  
   45    49    50    57    58    59    65    66    72    51    52    53    60    61    67  
   49    50    57    65    51    52    53    60  
   47    48    54    55    56    62    63    64    69  
   48    54    55    56    62  
   54    55    56    62  
   50    57    58    59    65    66    72    51    52    53    60  
   57    58    59    65    51  
   52    53    60    61    67    68    74    57    65  
   53    60    61    67  
   60    61    67  
   55    56    62    63    64    69    70    71    77  
   56    62    63    64    69  
   62    63    64    69  
   58    59    65    66    72    73  
   59    65    66    72  
   65    66    72  
   61    67    68    74    75    76    81  
   67    68    74  
   63    64    69    70    71    77    78    79    80  
   64    69    70    71    77  
   69    70    71    77  
   66    72    73  
   72    73  
   68    74    75    76    81    82    83    84  
   74    75    76    81  
   70    71    77    78    79    80  
   71    77    78    79    80  
   77    78    79    80  
   73  
    0  
   75    76    81    82    83    84    85    86    87  
   76    81    82    83    84  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    65   268.000  1.529
   44    45   340.000  1.090
   44    49   317.000  1.522
   44    51   268.000  1.529
   49    50   570.000  1.229
   49    57   317.000  1.522
   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    72   320.000  1.410
   72    73   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   317.000  1.510
   60    61   340.000  1.080
   60    67   549.000  1.340
   67    68   340.000  1.080
   67    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    65    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    62    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    69    58.35000  112.70000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    77    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    49    63.00000  111.10000
   40    44    51    58.35000  112.70000
   40    65    57    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    72    50.00000  109.50000
   44    40    41    37.50000  110.70000
   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    60    70.00000  112.02700
   49    44    45    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    65    63.00000  111.10000
   57    49    50    80.00000  120.40000
   57    65    66    37.50000  110.70000
   57    65    72    50.00000  109.50000
   59    57    58    33.00000  107.80000
   65    40    41    37.50000  110.70000
   65    40    44    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    72    73    55.00000  108.50000
   72    65    66    35.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    63.00000  111.10000
   51    60    61    35.00000  117.00000
   51    60    67    70.00000  124.00000
   53    51    52    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    53    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    74    70.00000  124.00000
   67    60    61    35.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    81    70.00000  112.02700
   74    67    68    35.00000  117.00000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49  -0.95700  1.0 1.0
   33    40    44    49  -0.18200 -1.0 2.0
   33    40    44    49   0.29450  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    65    57   0.56750  1.0 1.0
   33    40    65    57  -0.07550 -1.0 2.0
   33    40    65    57   0.20000  1.0 3.0
   33    40    65    66   0.15000  1.0 3.0
   33    40    65    72   0.86500  1.0 1.0
   33    40    65    72  -0.17500 -1.0 2.0
   33    40    65    72   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    65   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    65   0.34400  1.0 1.0
   38    33    40    65   0.09450 -1.0 2.0
   38    33    40    65   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    62   0.34400  1.0 1.0
   42    46    54    62   0.09450 -1.0 2.0
   42    46    54    62   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    62    63   0.15000  1.0 3.0
   46    54    62    64   0.15000  1.0 3.0
   46    54    62    69   0.56750  1.0 1.0
   46    54    62    69  -0.07550 -1.0 2.0
   46    54    62    69   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    62   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    62   0.15000  1.0 3.0
   54    62    69    70   0.15000  1.0 3.0
   54    62    69    71   0.15000  1.0 3.0
   54    62    69    77   0.56750  1.0 1.0
   54    62    69    77  -0.07550 -1.0 2.0
   54    62    69    77   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    69   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    69   0.15000  1.0 3.0
   62    69    77    78   0.15000  1.0 3.0
   62    69    77    79   0.15000  1.0 3.0
   62    69    77    80   0.15000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    77   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    77   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    80   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.30150 -1.0 2.0
   40    44   -49    57   0.60050  1.0 1.0
   40    44   -49    57   0.05600 -1.0 2.0
   40    44   -49    57   0.26150  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    60   0.34400  1.0 1.0
   40    44    51    60   0.09450 -1.0 2.0
   40    44    51    60   0.11100  1.0 3.0
   40    65    72    73  -0.11600  1.0 1.0
   40    65    72    73  -0.09450 -1.0 2.0
   40    65    72    73   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49  -0.11250  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    65    57   0.15000  1.0 3.0
   41    40    65    66   0.15000  1.0 3.0
   41    40    65    72   0.23400  1.0 3.0
   44    40   -65    57   0.56750  1.0 1.0
   44    40   -65    57  -0.07550 -1.0 2.0
   44    40   -65    57   0.20000  1.0 3.0
   44    40    65    66   0.15000  1.0 3.0
   44    40    65    72   0.86500  1.0 1.0
   44    40    65    72  -0.17500 -1.0 2.0
   44    40    65    72   0.20800  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    59   0.00000  1.0 1.0
   44    49   -57    65   0.60050  1.0 1.0
   44    49   -57    65   0.05600 -1.0 2.0
   44    49   -57    65   0.26150  1.0 3.0
   44    51    60    61   0.00000  1.0 1.0
   44    51    60    67   0.09850  1.0 1.0
   44    51    60    67   0.15250 -1.0 2.0
   44    51    60    67  -0.50650  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    57   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    60   0.15000  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    60  -0.98800  1.0 1.0
   49    44    51    60   0.48800 -1.0 2.0
   49    44    51    60   0.76800  1.0 3.0
   49    57   -65    40  -0.95700  1.0 1.0
   49    57   -65    40  -0.18200 -1.0 2.0
   49    57   -65    40   0.29450  1.0 3.0
   49    57    65    66  -0.11250  1.0 3.0
   49    57    65    72  -0.09450  1.0 1.0
   49    57    65    72  -1.12950 -1.0 2.0
   49    57    65    72   0.54000  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    59   0.00000  1.0 1.0
   50    49    57    65   0.30150 -1.0 2.0
   57    65    72    73  -0.11600  1.0 1.0
   57    65    72    73  -0.09450 -1.0 2.0
   57    65    72    73   0.21250  1.0 3.0
   58    57    65    40   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    72   0.23400  1.0 3.0
   59    57    65    40   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    72   0.23400  1.0 3.0
   65    40    44    45   0.15000  1.0 3.0
   65    40   -44    49  -0.95700  1.0 1.0
   65    40   -44    49  -0.18200 -1.0 2.0
   65    40   -44    49   0.29450  1.0 3.0
   65    40    44    51   0.56750  1.0 1.0
   65    40    44    51  -0.07550 -1.0 2.0
   65    40    44    51   0.20000  1.0 3.0
   66    65    72    73   0.19450  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    60    67    68   7.00000 -1.0 2.0
   51    60    67    74   7.00000 -1.0 2.0
   52    51    60    61   0.33100  1.0 3.0
   52    51    60    67   0.00000  1.0 1.0
   53    51    60    61   0.33100  1.0 3.0
   53    51    60    67   0.00000  1.0 1.0
   60    67    74    75   0.00000  1.0 1.0
   60    67    74    76   0.00000  1.0 1.0
   60    67    74    81   0.09850  1.0 1.0
   60    67    74    81   0.15250 -1.0 2.0
   60    67    74    81  -0.50650  1.0 3.0
   61    60    67    68   7.00000 -1.0 2.0
   61    60    67    74   7.00000 -1.0 2.0
   67    74    81    82   0.15000  1.0 3.0
   67    74    81    83   0.15000  1.0 3.0
   67    74    81    84   0.34400  1.0 1.0
   67    74    81    84   0.09450 -1.0 2.0
   67    74    81    84   0.11100  1.0 3.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    76   0.33100  1.0 3.0
   68    67    74    81   0.00000  1.0 1.0
   74    81    84    85   0.15000  1.0 3.0
   74    81    84    86   0.15000  1.0 3.0
   74    81    84    87  -1.63150  1.0 1.0
   74    81    84    87  -0.43550 -1.0 2.0
   74    81    84    87   0.24500  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   76    74    81    82   0.15000  1.0 3.0
   76    74    81    83   0.15000  1.0 3.0
   76    74    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   44    57    49    50  10.50000 -1.0 2.0
   51    61    60    67  15.00000 -1.0 2.0
   74    68    67    60  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
