* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    164    242     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02083    73.88720    63.20203
    3     1 S   H    _H1_     3     1.02106    40.16887  -147.65783
    4     1 S   H    _H2_     4     1.02082   102.18168   -43.02290
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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   167.74441
   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    57.98762
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C21    36     1.81066    98.50743   -78.13273
   34    33 S   HC   _H5_    37     1.08966   109.35616    43.25272
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C7_    38     1.50640   107.26615   160.00388
   39    33 S   CT   _C22    86     1.51468   111.01616   -79.66226
   40    39 S   HC   _H28    87     1.09544   110.93734   -58.08930
   41    39 S   HC   _H29    88     1.09712   112.24122  -179.56299
   42    39 S   HC   _H30    89     1.09581   110.55045    61.18483
   43    38 S   CM   _C8_    39     1.35327   122.84917    62.24389
   44    38 S   CT   _C6_    71     1.52135   115.81687  -116.52383
   45    44 S   HC   _H9_    72     1.09749   109.81777    33.14035
   46    44 S   HC   _H10    73     1.09715   108.62893   146.56601
   47    43 S   OS   _O33    40     1.39251   118.97201  -175.91333
   48    43 S   OH   _O38    84     1.38630   121.81545     4.76403
   49    48 S   HO   _H27    85     0.95948   109.32950   179.97202
   50    47 S   CT   _C9_    41     1.42499   116.46013  -165.02760
   51    50 S   HC   _H4_    42     1.09764   109.58620    42.43073
   52    50 S   CO4  _C15    43     1.52911   110.10464   156.28424
   53    52 S   O    _O34    44     1.23083   121.36548  -161.08724
   54    50 S   CT   _C10    55     1.53669   112.11686   -81.46190
   55    54 S   HC   _H11    56     1.09818   109.84124   178.11207
   56    54 S   HC   _H12    57     1.09481   110.09949    61.79245
   57    52 S   CM   _C14    45     1.48766   119.26865    19.12820
   58    57 S   CM   _C13    46     1.34393   121.21257    80.79121
   59    58 S   HC   _H17    47     1.09166   116.00887   177.01863
   60    57 S   CT   _C16    62     1.50480   116.25476  -106.42757
   61    60 S   HC   _H18    63     1.09695   112.15965  -153.45629
   62    60 S   HC   _H19    64     1.09574   110.04358   -36.11067
   63    58 S   CT   _C12    48     1.50880   132.39532    -0.14265
   64    63 S   HC   _H15    49     1.09942   104.23644   119.69592
   65    63 S   HC   _H16    50     1.09864   108.75188  -128.11493
   66    60 S   OS   _O35    65     1.43780   111.29311    82.30724
   67    63 S   NT   _N4_    51     1.46518   118.34816    -1.03173
   68    66 S   CO4  _C17    66     1.36705   117.27478    89.69995
   69    68 S   O    _O36    67     1.22525   125.66324    -4.36139
   70    67 S   CT   _C11    52     1.47120   112.39329   -77.99071
   71    70 S   HC   _H13    53     1.09641   112.68557    -6.48256
   72    70 S   HC   _H14    54     1.09909   110.82615  -123.88938
   73    67 S   CT   _C20    58     1.46558   110.49359   158.01301
   74    73 S   HC   _H24    59     1.09235   110.08239   180.00000
   75    73 S   HC   _H25    60     1.09301   110.18236    59.99031
   76    73 S   HC   _H26    61     1.09274   110.19491   -59.94690
   77    68 S   CT   _C18    68     1.52893   110.51017   174.06512
   78    77 S   CT   _C5_    69     1.55625   111.97534    51.94791
   79    78 S   HC   _H3_    70     1.10083   108.21332   -58.42244
   80    77 S   CT   _C19    78     1.53446   107.54315   -73.19338
   81    80 S   HC   _H20    79     1.08543   109.49403  -180.00000
   82    80 S   HC   _H21    80     1.08681   109.39652    59.99341
   83    80 S   HC   _H22    81     1.08596   109.48261   -59.93296
   84    77 S   OH   _O37    82     1.42689   106.97102   170.99553
   85    84 S   HO   _H23    83     0.96985   106.45587    59.99151
   86    78 S   CT   _C4_    74     1.53930   111.67717  -175.74739
   87    86 S   HC   _H6_    75     1.08493   109.17300   -61.93068
   88    86 S   HC   _H7_    76     1.08494   109.17652   178.11487
   89    86 S   HC   _H8_    77     1.08406   109.22995    58.09002
  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
  13   7   2   1   1  16   5   2   1   1  11  14   5   4  11   2
   1  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4
   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6
   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    78    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    77    78    79    44    45    46    86    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    54    78    44    45    46    48    49  
   45    46    86    87    88    89    80    84    48    47    68    77    78    79  
   46    86    77    78    79  
   86    77    78    79  
   50    51    52    53    57    70    54    55    56    48    49  
   49    50  
    0  
   51    52    53    57    58    67    70    71    72    54    55    56    60  
   52    53    57    70    54    55    56  
   53    57    58    59    63    70    54    55    56    60    61    62    66  
   57    58    54    60  
   55    56    73    57    63    67    70    71    72  
   56    67    70    71    72  
   67    70    71    72  
   58    59    63    64    65    67    60    61    62    66    68  
   59    63    64    65    67    70    73    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    77    63  
   62    66    68  
   66    68  
   64    65    67    70    71    72    73    74    75    76  
   65    67    70    73  
   67    70    73  
   68    69    77    78    80    84  
   70    71    72    73    74    75    76  
   69    77    78    79    86    80    81    82    83    84    85  
   77    78    80    84  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    86    87    88    89    80    81    82    83    84    85  
   79    86    87    88    89    80    81    82    83    84    85  
   86    87    88    89    80    84  
   81    82    83    84    85    86  
   82    83    84  
   83    84  
   84  
   85    86  
    0  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    57   320.000  1.462
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   382.000  1.448
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    77   317.000  1.522
   77    78   268.000  1.529
   77    80   268.000  1.529
   77    84   320.000  1.410
   78    79   340.000  1.090
   78    44   268.000  1.529
   78    86   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    78    70.00000  112.02700
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    90.00000  108.74100
   47    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    57    65.00000  118.62400
   50    54    70    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    57    58    65.00000  118.96000
   52    57    60    65.00000  116.34900
   57    52    53    80.00000  123.72100
   57    58    59    35.00000  120.00000
   57    58    63    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    51.80000  107.20000
   63    67    73    51.80000  107.20000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    54    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    54    55    37.50000  110.70000
   70    54    56    37.50000  110.70000
   72    70    71    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    70    71    37.50000  110.70000
   54    70    72    37.50000  110.70000
   56    54    55    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    77    81.00000  111.40000
   68    77    78    63.00000  111.10000
   68    77    80    63.00000  111.10000
   68    77    84    90.00000  109.61100
   77    68    69    80.00000  120.40000
   77    78    79    37.50000  110.70000
   77    78    44    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   77    84    85    55.00000  108.50000
   78    44    45    37.50000  110.70000
   78    44    46    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   44    38    43    70.00000  124.00000
   44    78    79    37.50000  110.70000
   46    44    45    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    44    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    77    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    77    78    50.00000  109.50000
   84    77    80    50.00000  109.50000
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    78   0.46850  1.0 1.0
   33    38    44    78   0.08550 -1.0 2.0
   33    38    44    78   0.09800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    78   0.09850  1.0 1.0
   43    38    44    78   0.15250 -1.0 2.0
   43    38    44    78  -0.50650  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.48150  1.0 1.0
   43    47    50    52   0.09250 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    54  -0.46850  1.0 1.0
   43    47    50    54   0.09300 -1.0 2.0
   43    47    50    54  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.30150 -1.0 2.0
   47    50    52    57   0.65300  1.0 1.0
   47    50    52    57  -0.03850 -1.0 2.0
   47    50    52    57   0.33900  1.0 3.0
   47    50    54    70   0.62750  1.0 1.0
   47    50    54    70  -0.30950 -1.0 2.0
   47    50    54    70   0.27300  1.0 3.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    56   0.23400  1.0 3.0
   50    52    57    58  -0.33500  1.0 1.0
   50    52    57    58   1.06600 -1.0 2.0
   50    52    57    58  -0.14000  1.0 3.0
   50    52    57    60   0.25700  1.0 1.0
   50    52    57    60   0.66200 -1.0 2.0
   50    52    57    60   0.04450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    54    70   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    70  -0.95700  1.0 1.0
   52    50    54    70  -0.18200 -1.0 2.0
   52    50    54    70   0.29450  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    57    58    59   7.00000 -1.0 2.0
   52    57    58    63   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    66   0.09700  1.0 1.0
   52    57    60    66   0.15600 -1.0 2.0
   52    57    60    66  -0.50800  1.0 3.0
   53    52    57    58   1.00000 -1.0 2.0
   53    52    57    60  -0.64400  1.0 1.0
   53    52    57    60   0.26850 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.90200  1.0 1.0
   57    58    63    67   0.57900 -1.0 2.0
   57    58    63    67  -0.62100  1.0 3.0
   57    60    66    68  -0.82050  1.0 1.0
   57    60    66    68   0.00600 -1.0 2.0
   57    60    66    68   0.04400  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    66   0.39000  1.0 1.0
   58    57    60    66  -0.05800 -1.0 2.0
   58    57    60    66  -0.55150  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   58    63    67    73  -0.60800  1.0 1.0
   58    63    67    73   1.10050 -1.0 2.0
   58    63    67    73   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    54   0.23450  1.0 1.0
   63    67    70    54   0.02050 -1.0 2.0
   63    67    70    54   0.25250  1.0 3.0
   63    67    73    74   0.28000  1.0 3.0
   63    67    73    75   0.28000  1.0 3.0
   63    67    73    76   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   64    63    67    73   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   65    63    67    73   0.28000  1.0 3.0
   67    70    54    50   1.53400  1.0 1.0
   67    70    54    50  -0.09950 -1.0 2.0
   67    70    54    50   0.05700  1.0 3.0
   67    70    54    55   0.15000  1.0 3.0
   67    70    54    56   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    54    50   0.15000  1.0 3.0
   71    70    54    55   0.15000  1.0 3.0
   71    70    54    56   0.15000  1.0 3.0
   72    70    54    50   0.15000  1.0 3.0
   72    70    54    55   0.15000  1.0 3.0
   72    70    54    56   0.15000  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    57   0.65300  1.0 1.0
   54    50    52    57  -0.03850 -1.0 2.0
   54    50    52    57   0.33900  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    54   0.23450  1.0 1.0
   73    67    70    54   0.02050 -1.0 2.0
   73    67    70    54   0.25250  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    77   1.63150  1.0 1.0
   60    66    68    77   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    77    78   0.36750  1.0 3.0
   66    68    77    80   0.36750  1.0 3.0
   66    68    77    84   0.30750  1.0 1.0
   66    68    77    84   1.13850 -1.0 2.0
   66    68    77    84   0.38850  1.0 3.0
   68    77    78    79  -0.11250  1.0 3.0
   68    77    78    44  -0.95700  1.0 1.0
   68    77    78    44  -0.18200 -1.0 2.0
   68    77    78    44   0.29450  1.0 3.0
   68    77    78    86  -0.95700  1.0 1.0
   68    77    78    86  -0.18200 -1.0 2.0
   68    77    78    86   0.29450  1.0 3.0
   68    77    80    81  -0.11250  1.0 3.0
   68    77    80    82  -0.11250  1.0 3.0
   68    77    80    83  -0.11250  1.0 3.0
   68    77    84    85   0.91850  1.0 1.0
   68    77    84    85   0.57950  1.0 3.0
   69    68    77    78   0.30150 -1.0 2.0
   69    68    77    80   0.30150 -1.0 2.0
   69    68    77    84   0.30150 -1.0 2.0
   77    78    44    38   0.34400  1.0 1.0
   77    78    44    38   0.09450 -1.0 2.0
   77    78    44    38   0.11100  1.0 3.0
   77    78    44    45   0.15000  1.0 3.0
   77    78    44    46   0.15000  1.0 3.0
   77    78    86    87   0.15000  1.0 3.0
   77    78    86    88   0.15000  1.0 3.0
   77    78    86    89   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   78    77    84    85  -0.11600  1.0 1.0
   78    77    84    85  -0.09450 -1.0 2.0
   78    77    84    85   0.21250  1.0 3.0
   79    78    44    38   0.15000  1.0 3.0
   79    78    44    45   0.15000  1.0 3.0
   79    78    44    46   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    89   0.15000  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    78    86    87   0.15000  1.0 3.0
   44    78    86    88   0.15000  1.0 3.0
   44    78    86    89   0.15000  1.0 3.0
   86    78    44    38   0.34400  1.0 1.0
   86    78    44    38   0.09450 -1.0 2.0
   86    78    44    38   0.11100  1.0 3.0
   86    78    44    45   0.15000  1.0 3.0
   86    78    44    46   0.15000  1.0 3.0
   80    77    78    79   0.15000  1.0 3.0
   80    77    78    44   0.56750  1.0 1.0
   80    77    78    44  -0.07550 -1.0 2.0
   80    77    78    44   0.20000  1.0 3.0
   80    77    78    86   0.56750  1.0 1.0
   80    77    78    86  -0.07550 -1.0 2.0
   80    77    78    86   0.20000  1.0 3.0
   80    77    84    85  -0.11600  1.0 1.0
   80    77    84    85  -0.09450 -1.0 2.0
   80    77    84    85   0.21250  1.0 3.0
   84    77    78    79   0.23400  1.0 3.0
   84    77    78    44   0.86500  1.0 1.0
   84    77    78    44  -0.17500 -1.0 2.0
   84    77    78    44   0.20800  1.0 3.0
   84    77    78    86   0.86500  1.0 1.0
   84    77    78    86  -0.17500 -1.0 2.0
   84    77    78    86   0.20800  1.0 3.0
   84    77    80    81   0.23400  1.0 3.0
   84    77    80    82   0.23400  1.0 3.0
   84    77    80    83   0.23400  1.0 3.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  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
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   50    57    52    53  10.50000 -1.0 2.0
   52    60    57    58   1.10000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   66    77    68    69  10.50000 -1.0 2.0
END
