* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    169    251     499
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    63.60550  -105.37951
    3     1 S   H    _H1_     3     1.02113   105.85709    -1.99478
    4     1 S   H    _H2_     4     1.02114    48.80893    99.20116
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C13    36     1.84266    97.50494  -178.15390
   34    33 S   HC   _H5_    37     1.09699   106.23693   -34.94381
   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   CT   _C12    38     1.54637   106.25250    80.00651
   39    38 S   HC   _H15    39     1.10034   108.60974   -51.80619
   40    38 S   HC   _H16    40     1.09746   110.67134    62.31141
   41    33 S   CT   _C14    52     1.55687   110.60799  -152.84512
   42    41 S   HC   _H6_    53     1.09485   110.40981   -60.20194
   43    38 S   NT   _N4_    41     1.47060   111.47343  -172.40069
   44    41 S   CT   _C16    54     1.54618   111.70754    60.45512
   45    44 S   HC   _H17    55     1.09463   112.06200   -62.78897
   46    44 S   HC   _H18    56     1.09622   110.32384    55.86165
   47    43 S   CT   _C11    42     1.46827   113.17974  -115.26090
   48    47 S   HC   _H13    43     1.09797   110.35526   -64.90849
   49    47 S   HC   _H14    44     1.09773   108.99076   178.10514
   50    44 S   OS   _O36    57     1.44125   113.04630   174.59981
   51    43 S   CT   _C22    89     1.46252   111.67581   119.32323
   52    51 S   HC   _H25    90     1.09340   110.08643   -53.11252
   53    51 S   HC   _H26    91     1.09318   110.24823  -173.04438
   54    51 S   HC   _H27    92     1.09252   110.23617    66.87306
   55    47 S   CT   _C10    45     1.53267   114.34294    57.88952
   56    55 S   HC   _H11    46     1.09840   108.20390   177.86870
   57    55 S   HC   _H12    47     1.09696   110.91685   -68.68056
   58    50 S   CO4  _C17    58     1.36652   117.81528    85.43851
   59    58 S   O    _O37    59     1.22495   125.28122   -12.66892
   60    55 S   CT   _C9_    48     1.52836   114.75327    57.10227
   61    60 S   HC   _H4_    49     1.09786   108.95386    62.77740
   62    58 S   CT   _C18    60     1.53299   110.28399   165.56524
   63    60 S   CO4  _C15    50     1.52512   114.27499   -59.19396
   64    63 S   O    _O35    51     1.23366   120.05795   125.91329
   65    62 S   CT   _C5_    61     1.55400   111.08906    68.53087
   66    65 S   HC   _H3_    62     1.09735   107.35166   -53.19860
   67    62 S   CT   _C19    78     1.53325   110.47350  -163.37957
   68    67 S   HC   _H19    79     1.08697   109.52032  -179.95577
   69    67 S   HC   _H20    80     1.08629   109.50034    59.99623
   70    67 S   HC   _H21    81     1.08723   109.46564   -59.98231
   71    62 S   OS   _O38    82     1.43399   105.06449   -48.11943
   72    65 S   CM   _C6_    63     1.51571   112.93885    68.33235
   73    72 S   HC   _H10    64     1.09066   114.55678    70.68031
   74    65 S   CT   _C4_    74     1.53750   112.80559  -168.19263
   75    74 S   HC   _H7_    75     1.08483   109.27795   -63.49590
   76    74 S   HC   _H8_    76     1.08585   109.29206   176.55605
   77    74 S   HC   _H9_    77     1.08511   109.30499    56.55050
   78    71 S   CO4  _C20    83     1.36227   115.33676   -60.01334
   79    78 S   O    _O39    84     1.22357   126.51687    29.94277
   80    72 S   CM   _C7_    65     1.34355   127.88821  -109.54415
   81    78 S   CT   _C21    85     1.49840   109.44672  -149.97760
   82    81 S   HC   _H22    86     1.09306   109.83379   -90.00688
   83    81 S   HC   _H23    87     1.09217   109.88261   148.07080
   84    81 S   HC   _H24    88     1.09468   109.38184    29.02901
   85    80 S   CO4  _C8_    66     1.47943   119.33059     0.70081
   86    85 S   O    _O33    67     1.22003   124.46387   -69.40607
   87    80 S   CM   _C23    69     1.44104   122.25730   179.75611
   88    87 S   HC   _H28    70     1.09150   119.73597    -0.02798
   89    60 S   OS   _O34    68     1.43690   106.88386  -177.60461
   90    87 S   CM   _C24    71     1.34387   119.57349  -179.98022
   91    90 S   HC   _H29    72     1.08524   121.59602  -180.00000
   92    90 S   HC   _H30    73     1.08521   120.82069    -0.08156
  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
  16   8   2   1   1  15   5   4  13   7  11   9   4   3  13   6
   5   7   4   2   1   1   8   5   4  12   4   7   4  17   3   1
  16   9   7   3   2   1   8  12   4   4   2   1   1   5   4   8
   3   2   1   1   5   2   5   3   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    63    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    60    63    64    41    42    44    45    46    50    51  
   38    39    40    43    63    41    42    44  
   36    37  
   37  
    0  
   39    40    43    47    48    49    55    63    41    42    44    51    52    53    54  
   40    43    47    41    51  
   43    47    41    51  
   42    44    45    46    50    58    89    43    55    60    61    63    64  
   44    45    46    50    60    63    64  
   47    48    49    55    56    57    60    51    52    53    54  
   45    46    50    58    59    62    60    63    64  
   46    50    58    63  
   50    58    63  
   48    49    55    56    57    60    61    63    89    51    52    53    54  
   49    55    56    57    60    51  
   55    56    57    60    51  
   58    59    62    65    67    71    63  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    60    61    63    64    85    89  
   57    60    61    63    89  
   60    61    63    89  
   59    62    65    66    72    74    67    68    69    70    71    78  
   62    65    67    71  
   61    63    64    80    85    86    89  
   63    64    85    89  
   65    66    72    73    80    74    75    76    77    67    68    69    70    71    78    79    81  
   64    85    89  
   89  
   66    72    73    80    85    87    74    75    76    77    67    68    69    70    71    78  
   72    73    80    74    75    76    77    67    71  
   68    69    70    71    78    72    74  
   69    70    71  
   70    71  
   71  
   78    79    81    82    83    84    72    74  
   73    80    85    86    89    87    88    90    74    75    76    77  
   80    85    87    74  
   75    76    77    80  
   76    77  
   77  
    0  
   79    81    82    83    84  
   81    82    83    84  
   85    86    89    87    88    90    91    92  
   82    83    84  
   83    84  
   84  
    0  
   86    89    87    88    90  
   89    87  
   88    90    91    92    89  
   90    91    92  
    0  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    63   317.000  1.522
   60    89   320.000  1.410
   63    64   570.000  1.229
   63    41   317.000  1.522
   41    42   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    65   268.000  1.529
   62    67   268.000  1.529
   62    71   320.000  1.410
   65    66   340.000  1.090
   65    72   317.000  1.510
   65    74   268.000  1.529
   72    73   340.000  1.080
   72    80   549.000  1.340
   80    85   320.000  1.462
   80    87   380.000  1.444
   85    86   570.000  1.229
   85    89   214.000  1.327
   87    88   340.000  1.080
   87    90   549.000  1.340
   90    91   340.000  1.080
   90    92   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    78   214.000  1.327
   78    79   570.000  1.229
   78    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  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    43    56.20000  109.47000
   33    41    63    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    47    51.80000  107.20000
   38    43    51    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    55    56.20000  109.47000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    63.00000  111.10000
   55    60    89    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    41    70.00000  116.00000
   60    89    85    83.00000  116.90000
   63    60    61    35.00000  109.50000
   63    41    42    35.00000  109.50000
   63    41    44    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    80.00000  120.40000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    50    50.00000  109.50000
   44    41    42    37.50000  110.70000
   44    50    58    83.00000  116.90000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    58    59    83.00000  123.40000
   50    58    62    81.00000  111.40000
   58    62    65    63.00000  111.10000
   58    62    67    63.00000  111.10000
   58    62    71    90.00000  108.74100
   62    58    59    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    72    70.00000  112.02700
   62    65    74    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    78    83.00000  116.90000
   65    72    73    35.00000  117.00000
   65    72    80    70.00000  124.00000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    77    37.50000  110.70000
   72    65    66    35.00000  109.50000
   72    80    85    65.00000  118.96000
   72    80    87    70.00000  123.01800
   80    72    73    35.00000  120.00000
   80    85    86    80.00000  123.72100
   80    85    89    90.00000  111.29400
   80    87    88    35.00000  120.00000
   80    87    90    70.00000  123.01800
   89    60    61    35.00000  109.50000
   89    60    63    90.00000  108.74100
   89    85    86    83.00000  123.40000
   87    80    85    65.00000  118.96000
   87    90    91    35.00000  120.00000
   87    90    92    35.00000  120.00000
   90    87    88    35.00000  120.00000
   92    90    91    35.00000  117.00000
   74    65    66    37.50000  110.70000
   74    65    72    70.00000  112.02700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    65    50.00000  109.50000
   71    62    67    50.00000  109.50000
   71    78    79    83.00000  123.40000
   71    78    81    81.00000  111.40000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   81    78    79    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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   0.01700  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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    63   0.56750  1.0 1.0
   29    33    41    63  -0.07550 -1.0 2.0
   29    33    41    63   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   33    38    43    47   0.23450  1.0 1.0
   33    38    43    47   0.02050 -1.0 2.0
   33    38    43    47   0.25250  1.0 3.0
   33    38    43    51   0.23450  1.0 1.0
   33    38    43    51   0.02050 -1.0 2.0
   33    38    43    51   0.25250  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    50   0.62750  1.0 1.0
   33    41    44    50  -0.30950 -1.0 2.0
   33    41    44    50   0.27300  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    43   0.15000  1.0 3.0
   34    33    41    63  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   38    33    41    63  -0.95700  1.0 1.0
   38    33    41    63  -0.18200 -1.0 2.0
   38    33    41    63   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    43    47    48   0.28000  1.0 3.0
   38    43    47    49   0.28000  1.0 3.0
   38    43    47    55   0.23450  1.0 1.0
   38    43    47    55   0.02050 -1.0 2.0
   38    43    47    55   0.25250  1.0 3.0
   38    43    51    52   0.28000  1.0 3.0
   38    43    51    53   0.28000  1.0 3.0
   38    43    51    54   0.28000  1.0 3.0
   39    38    43    47   0.28000  1.0 3.0
   39    38    43    51   0.28000  1.0 3.0
   40    38    43    47   0.28000  1.0 3.0
   40    38    43    51   0.28000  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    60   1.53400  1.0 1.0
   43    47    55    60  -0.09950 -1.0 2.0
   43    47    55    60   0.05700  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   47    55    60    61   0.15000  1.0 3.0
   47    55    60    63  -0.95700  1.0 1.0
   47    55    60    63  -0.18200 -1.0 2.0
   47    55    60    63   0.29450  1.0 3.0
   47    55    60    89   0.62750  1.0 1.0
   47    55    60    89  -0.30950 -1.0 2.0
   47    55    60    89   0.27300  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    60   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   49    47    55    60   0.15000  1.0 3.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    41   0.60050  1.0 1.0
   55    60    63    41   0.05600 -1.0 2.0
   55    60    63    41   0.26150  1.0 3.0
   55    60    89    85  -0.25900  1.0 1.0
   55    60    89    85  -0.47000 -1.0 2.0
   55    60    89    85   0.11750  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63  -0.11250  1.0 3.0
   56    55    60    89   0.23400  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    63  -0.11250  1.0 3.0
   57    55    60    89   0.23400  1.0 3.0
   60    63    41    33   0.60050  1.0 1.0
   60    63    41    33   0.05600 -1.0 2.0
   60    63    41    33   0.26150  1.0 3.0
   60    63    41    42   0.00000  1.0 1.0
   60    63    41    44   0.60050  1.0 1.0
   60    63    41    44   0.05600 -1.0 2.0
   60    63    41    44   0.26150  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    41   0.00000  1.0 1.0
   61    60    89    85   0.08050  1.0 3.0
   63    60    89    85  -1.80650  1.0 1.0
   63    60    89    85   0.63900 -1.0 2.0
   63    60    89    85   0.03650  1.0 3.0
   63    41    44    45  -0.11250  1.0 3.0
   63    41    44    46  -0.11250  1.0 3.0
   63    41    44    50  -0.09450  1.0 1.0
   63    41    44    50  -1.12950 -1.0 2.0
   63    41    44    50   0.54000  1.0 3.0
   64    63    41    33   0.30150 -1.0 2.0
   64    63    41    42   0.00000  1.0 1.0
   64    63    41    44   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    44    50    58  -0.25900  1.0 1.0
   41    44    50    58  -0.47000 -1.0 2.0
   41    44    50    58   0.11750  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    50   0.23400  1.0 3.0
   44    50    58    59   3.00000 -1.0 2.0
   44    50    58    62   1.63150  1.0 1.0
   44    50    58    62   2.92000 -1.0 2.0
   45    44    50    58   0.08050  1.0 3.0
   46    44    50    58   0.08050  1.0 3.0
   50    58    62    65   0.36750  1.0 3.0
   50    58    62    67   0.36750  1.0 3.0
   50    58    62    71   0.40000  1.0 3.0
   58    62    65    66  -0.11250  1.0 3.0
   58    62    65    72  -0.98800  1.0 1.0
   58    62    65    72   0.48800 -1.0 2.0
   58    62    65    72   0.76800  1.0 3.0
   58    62    65    74  -0.95700  1.0 1.0
   58    62    65    74  -0.18200 -1.0 2.0
   58    62    65    74   0.29450  1.0 3.0
   58    62    67    68  -0.11250  1.0 3.0
   58    62    67    69  -0.11250  1.0 3.0
   58    62    67    70  -0.11250  1.0 3.0
   58    62    71    78  -1.80650  1.0 1.0
   58    62    71    78   0.63900 -1.0 2.0
   58    62    71    78   0.03650  1.0 3.0
   59    58    62    65   0.30150 -1.0 2.0
   59    58    62    67   0.30150 -1.0 2.0
   59    58    62    71   0.30150 -1.0 2.0
   62    65    72    73   0.00000  1.0 1.0
   62    65    72    80   0.09850  1.0 1.0
   62    65    72    80   0.15250 -1.0 2.0
   62    65    72    80  -0.50650  1.0 3.0
   62    65    74    75   0.15000  1.0 3.0
   62    65    74    76   0.15000  1.0 3.0
   62    65    74    77   0.15000  1.0 3.0
   62    71    78    79   3.00000 -1.0 2.0
   62    71    78    81   1.63150  1.0 1.0
   62    71    78    81   2.92000 -1.0 2.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    69   0.15000  1.0 3.0
   65    62    67    70   0.15000  1.0 3.0
   65    62    71    78  -0.25900  1.0 1.0
   65    62    71    78  -0.47000 -1.0 2.0
   65    62    71    78   0.11750  1.0 3.0
   65    72    80    85   7.00000 -1.0 2.0
   65    72    80    87   7.00000 -1.0 2.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    80   0.00000  1.0 1.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    76   0.15000  1.0 3.0
   66    65    74    77   0.15000  1.0 3.0
   72    65    74    75   0.15000  1.0 3.0
   72    65    74    76   0.15000  1.0 3.0
   72    65    74    77   0.15000  1.0 3.0
   72    80    85    86   1.00000 -1.0 2.0
   72    80    85    89  -0.56150  1.0 1.0
   72    80    85    89   2.19150 -1.0 2.0
   72    80    87    88  -0.18600  1.0 3.0
   72    80    87    90   0.28850  1.0 1.0
   72    80    87    90   2.61350 -1.0 2.0
   72    80    87    90   0.78400  1.0 3.0
   73    72    80    85   7.00000 -1.0 2.0
   73    72    80    87   7.00000 -1.0 2.0
   80    85    89    60   2.00000 -1.0 2.0
   80    87    90    91   7.00000 -1.0 2.0
   80    87    90    92   7.00000 -1.0 2.0
   85    80    87    88   0.00000  1.0 1.0
   85    80    87    90  -0.18600  1.0 3.0
   86    85    89    60   3.00000 -1.0 2.0
   89    60    63    64   0.30150 -1.0 2.0
   89    60    63    41   0.55300  1.0 1.0
   89    60    63    41   1.25850 -1.0 2.0
   89    60    63    41  -0.23600  1.0 3.0
   87    80    85    86   1.00000 -1.0 2.0
   87    80    85    89  -0.56150  1.0 1.0
   87    80    85    89   2.19150 -1.0 2.0
   88    87    90    91   7.00000 -1.0 2.0
   88    87    90    92   7.00000 -1.0 2.0
   74    65    72    73   0.00000  1.0 1.0
   74    65    72    80   0.09850  1.0 1.0
   74    65    72    80   0.15250 -1.0 2.0
   74    65    72    80  -0.50650  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    72   0.34400  1.0 1.0
   67    62    65    72   0.09450 -1.0 2.0
   67    62    65    72   0.11100  1.0 3.0
   67    62    65    74   0.56750  1.0 1.0
   67    62    65    74  -0.07550 -1.0 2.0
   67    62    65    74   0.20000  1.0 3.0
   67    62    71    78  -0.25900  1.0 1.0
   67    62    71    78  -0.47000 -1.0 2.0
   67    62    71    78   0.11750  1.0 3.0
   71    62    65    66   0.23400  1.0 3.0
   71    62    65    72   0.61850  1.0 1.0
   71    62    65    72  -0.22750 -1.0 2.0
   71    62    65    72   0.15300  1.0 3.0
   71    62    65    74   0.62750  1.0 1.0
   71    62    65    74  -0.30950 -1.0 2.0
   71    62    65    74   0.27300  1.0 3.0
   71    62    67    68   0.23400  1.0 3.0
   71    62    67    69   0.23400  1.0 3.0
   71    62    67    70   0.23400  1.0 3.0
   71    78    81    82   0.00000  1.0 1.0
   71    78    81    83   0.00000  1.0 1.0
   71    78    81    84   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    55   0.23450  1.0 1.0
   51    43    47    55   0.02050 -1.0 2.0
   51    43    47    55   0.25250  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
   60    41    63    64  10.50000 -1.0 2.0
   50    62    58    59  10.50000 -1.0 2.0
   65    73    72    80   1.10000 -1.0 2.0
   85    87    80    72   1.10000 -1.0 2.0
   80    89    85    86  10.50000 -1.0 2.0
   80    88    87    90  15.00000 -1.0 2.0
   91    92    90    87  15.00000 -1.0 2.0
   71    81    78    79  10.50000 -1.0 2.0
END
