* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    160    235     466
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02098    87.45313   -73.20519
    3     1 S   H    _H1_     3     1.02079    92.98310    35.43155
    4     1 S   H    _H2_     4     1.02078    33.14577   155.99718
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C23    36     1.85396   100.57137   159.98420
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C22    37     1.54313   109.35840   160.02638
   38    37 S   HC   _H19    38     1.09556   110.31886   179.32740
   39    37 S   HC   _H20    39     1.09755   110.24256    60.03215
   40    33 S   OH   _O39    84     1.42564   111.40445    39.20378
   41    40 S   HO   _H21    85     0.97227   107.06564    60.88072
   42    33 S   S    _S1_    86     1.85784   107.72098   -82.12699
   43    37 S   CO4  _C21    40     1.52920   115.46369   -62.12995
   44    43 S   O    _O38    41     1.23125   122.82906   -35.61761
   45    42 S   CT   _C24    87     1.81162   100.81158   161.63957
   46    45 S   HC   _H22    88     1.09356   109.86059   179.96044
   47    45 S   HC   _H23    89     1.09238   109.83381    60.09725
   48    45 S   HC   _H24    90     1.09246   109.86594   -59.97729
   49    43 S   CT   _C20    42     1.51379   116.53851   148.44766
   50    49 S   HC   _H17    43     1.09492   108.60214    89.97013
   51    49 S   HC   _H18    44     1.09573   108.13180   -26.61439
   52    49 S   CO4  _C19    45     1.51326   114.44571  -147.63713
   53    52 S   O    _O37    46     1.22947   121.99061  -121.26631
   54    52 S   CT   _C18    47     1.51906   115.65398    57.95250
   55    54 S   HC   _H15    48     1.09527   108.16463    30.00152
   56    54 S   HC   _H16    49     1.09508   108.17761   -87.53451
   57    54 S   CT   _C17    50     1.53903   112.67810   151.11316
   58    57 S   CM   _C12    51     1.52074   112.42579   179.59944
   59    57 S   OH   _O40    82     1.43300   107.88072    61.77876
   60    59 S   HO   _H25    83     0.96778   106.08095    61.24299
   61    58 S   CMA  _C13    52     1.35849   125.90557   130.93237
   62    61 S   OM   _O41    53     1.26534   131.30182  -178.78582
   63    58 S   CO4  _C11    62     1.48140   116.67091   -50.76585
   64    63 S   O    _O35    63     1.22590   119.43178   -90.42313
   65    61 S   CT   _C14    54     1.52383   119.36284     2.79820
   66    65 S   HC   _H11    55     1.09167   110.66991   134.47891
   67    65 S   HC   _H12    56     1.09279   110.65238  -103.94855
   68    63 S   CT   _C10    64     1.52253   116.41201    91.59055
   69    68 S   HC   _H9_    65     1.09906   109.77189   -90.02347
   70    68 S   HC   _H10    66     1.09793   106.89177    24.59344
   71    65 S   CO4  _C15    57     1.51255   112.33012    15.04675
   72    71 S   O    _O36    58     1.22962   122.02477   138.55146
   73    68 S   CMA  _C9_    67     1.52797   111.82617   146.41241
   74    73 S   OM   _O42    68     1.26354   111.38495   -86.03075
   75    57 S   CT   _C16    59     1.53571   107.67885   -54.62214
   76    75 S   HC   _H13    60     1.09567   111.23412    79.00761
   77    75 S   HC   _H14    61     1.09464   111.12321   -39.51907
   78    73 S   CM   _C8_    69     1.35018   116.24634    92.92729
   79    78 S   HC   _H8_    70     1.08719   120.44725  -179.41349
   80    78 S   CO4  _C7_    71     1.49963   124.34590     0.00000
   81    80 S   O    _O34    72     1.22807   122.00859    62.04819
   82    80 S   CT   _C6_    73     1.51514   115.54387  -120.01338
   83    82 S   HC   _H6_    74     1.09582   109.40135    29.97743
   84    82 S   HC   _H7_    75     1.09587   107.05594   -88.23928
   85    82 S   CO4  _C5_    76     1.51539   115.93461   150.80649
   86    85 S   O    _O33    77     1.22998   122.83715    -4.33160
   87    85 S   CT   _C4_    78     1.50681   116.17722   177.83373
   88    87 S   HC   _H3_    79     1.09283   109.60616    89.99774
   89    87 S   HC   _H4_    80     1.09281   109.52325  -148.93335
   90    87 S   HC   _H5_    81     1.09343   109.72041   -29.38599
  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   2   1   1  12   6   5   4   1   5   7   4   3   2   1   1
   8   4   3   8   4  12   5   4  14  17   7   1  10   5   9   4
   7   4   3   7   4   3   4   3   6   3   2   1   1   7   3   7
   4   8   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    49    40    41    42    45    46    47    48  
   35    36  
   36  
    0  
   38    39    43    44    49    50    51    52    40    41    42    45  
   39    43    44    49    40    42  
   43    44    49    40    42  
   41    42    45    43  
   42  
   45    46    47    48    43  
   44    49    50    51    52    53    54  
   49    50    51    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    57  
   51    52    53    54  
   52    53    54  
   53    54    55    56    57    58    75    59  
   54    55    56    57  
   55    56    57    58    61    71    75    76    77    63    59    60  
   56    57    58    75    59  
   57    58    75    59  
   58    61    62    65    71    72    75    76    77    63    64    68    59    60  
   61    62    65    66    67    71    75    76    77    63    64    68    69    70    73    59    60  
   60    61    63    71    75    76    77  
   75  
   62    65    66    67    71    72    75    63    64    68  
   65    66    67    71    63  
   64    68    69    70    73    74    78    65    75  
   68    69    70    73  
   66    67    71    72    75    76    77  
   67    71    72    75  
   71    72    75  
   69    70    73    74    78    79    80  
   70    73    74    78  
   73    74    78  
   72    75    76    77  
   75    76    77  
   74    78    79    80    81    82  
   78    79    80  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82    83    84    85    86    87  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.7500   0.1050   0.470000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   317.000  1.510
   57    75   268.000  1.529
   57    59   320.000  1.410
   58    61   465.000  1.376
   58    63   320.000  1.462
   61    62   745.000  1.250
   61    65   270.000  1.512
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   270.000  1.512
   73    74   745.000  1.250
   73    78   465.000  1.376
   78    79   340.000  1.080
   78    80   320.000  1.462
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   317.000  1.522
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   59    60   553.000  0.945
   40    41   553.000  0.945
   42    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    55.00000  108.50000
   33    42    45    62.00000   98.90000
   37    43    44    80.00000  120.40000
   37    43    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    75.00000  107.99600
   49    43    44    80.00000  120.40000
   49    52    53    80.00000  120.40000
   49    52    54    70.00000  116.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    63.00000  111.10000
   54    52    53    80.00000  120.40000
   54    57    58    70.00000  112.02700
   54    57    75    58.35000  112.70000
   54    57    59    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    58    61    70.00000  124.00000
   57    58    63    65.00000  116.34900
   57    75    71    63.00000  111.10000
   57    75    76    37.50000  110.70000
   57    75    77    37.50000  110.70000
   57    59    60    55.00000  108.50000
   58    61    62    65.00000  137.10300
   58    61    65    65.00000  122.18000
   58    63    64    80.00000  123.72100
   58    63    68    65.00000  118.62400
   61    65    66    45.00000  110.52000
   61    65    67    45.00000  110.52000
   61    65    71    70.00000  109.06800
   65    61    62    85.00000  112.85300
   65    71    72    80.00000  120.40000
   65    71    75    70.00000  116.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   75    57    58    70.00000  112.02700
   75    71    72    80.00000  120.40000
   77    75    76    33.00000  107.80000
   63    58    61    60.00000  125.92000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    73    70.00000  109.06800
   68    63    64    80.00000  120.40000
   68    73    74    85.00000  112.85300
   68    73    78    65.00000  122.18000
   70    68    69    33.00000  107.80000
   73    68    69    45.00000  110.52000
   73    68    70    45.00000  110.52000
   73    78    79    40.00000  120.50800
   73    78    80    60.00000  125.92000
   78    73    74    65.00000  137.10300
   78    80    81    80.00000  123.72100
   78    80    82    65.00000  118.62400
   80    78    79    40.00000  117.72500
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    75.00000  107.99600
   82    80    81    80.00000  120.40000
   82    85    86    80.00000  120.40000
   82    85    87    70.00000  116.00000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    35.00000  109.50000
   87    85    86    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   59    57    58    90.00000  110.39200
   59    57    75    50.00000  109.50000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    45   0.08500  1.0 1.0
   29    33    42    45  -0.53150 -1.0 2.0
   29    33    42    45   0.48050  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    49   0.60050  1.0 1.0
   33    37    43    49   0.05600 -1.0 2.0
   33    37    43    49   0.26150  1.0 3.0
   33    42    45    46   0.32350  1.0 3.0
   33    42    45    47   0.32350  1.0 3.0
   33    42    45    48   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    45   0.01700  1.0 1.0
   37    33    42    45  -0.23550 -1.0 2.0
   37    33    42    45   0.21350  1.0 3.0
   37    43    49    50   0.00000  1.0 1.0
   37    43    49    51   0.00000  1.0 1.0
   37    43    49    52   0.65300  1.0 1.0
   37    43    49    52  -0.03850 -1.0 2.0
   37    43    49    52   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    49   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    49   0.00000  1.0 1.0
   43    49    52    53   0.30150 -1.0 2.0
   43    49    52    54   0.65300  1.0 1.0
   43    49    52    54  -0.03850 -1.0 2.0
   43    49    52    54   0.33900  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.30150 -1.0 2.0
   49    52    54    55   0.00000  1.0 1.0
   49    52    54    56   0.00000  1.0 1.0
   49    52    54    57   0.60050  1.0 1.0
   49    52    54    57   0.05600 -1.0 2.0
   49    52    54    57   0.26150  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   51    49    52    54   0.00000  1.0 1.0
   52    54    57    58  -0.98800  1.0 1.0
   52    54    57    58   0.48800 -1.0 2.0
   52    54    57    58   0.76800  1.0 3.0
   52    54    57    75  -0.95700  1.0 1.0
   52    54    57    75  -0.18200 -1.0 2.0
   52    54    57    75   0.29450  1.0 3.0
   52    54    57    59  -0.09450  1.0 1.0
   52    54    57    59  -1.12950 -1.0 2.0
   52    54    57    59   0.54000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.30150 -1.0 2.0
   54    57    58    61   0.09850  1.0 1.0
   54    57    58    61   0.15250 -1.0 2.0
   54    57    58    61  -0.50650  1.0 3.0
   54    57    58    63   0.09700  1.0 1.0
   54    57    58    63   0.15600 -1.0 2.0
   54    57    58    63  -0.50800  1.0 3.0
   54    57    75    71  -0.95700  1.0 1.0
   54    57    75    71  -0.18200 -1.0 2.0
   54    57    75    71   0.29450  1.0 3.0
   54    57    75    76   0.15000  1.0 3.0
   54    57    75    77   0.15000  1.0 3.0
   54    57    59    60  -0.11600  1.0 1.0
   54    57    59    60  -0.09450 -1.0 2.0
   54    57    59    60   0.21250  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    75   0.15000  1.0 3.0
   55    54    57    59   0.23400  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    75   0.15000  1.0 3.0
   56    54    57    59   0.23400  1.0 3.0
   57    58    61    62   7.00000 -1.0 2.0
   57    58    61    65   7.00000 -1.0 2.0
   57    58    63    64  -0.64400  1.0 1.0
   57    58    63    64   0.26850 -1.0 2.0
   57    58    63    68   0.25700  1.0 1.0
   57    58    63    68   0.66200 -1.0 2.0
   57    58    63    68   0.04450  1.0 3.0
   58    57    75    71  -0.98800  1.0 1.0
   58    57    75    71   0.48800 -1.0 2.0
   58    57    75    71   0.76800  1.0 3.0
   58    57    75    76   0.15000  1.0 3.0
   58    57    75    77   0.15000  1.0 3.0
   58    57    59    60  -0.07800  1.0 1.0
   58    57    59    60  -0.21500 -1.0 2.0
   58    57    59    60  -0.03150  1.0 3.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61   -65    71  -0.51250  1.0 1.0
   58    61   -65    71  -0.88800 -1.0 2.0
   58    61   -65    71   0.08850  1.0 3.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    73   0.65300  1.0 1.0
   58    63    68    73  -0.03850 -1.0 2.0
   58    63    68    73   0.33900  1.0 3.0
   61    58    63    64   1.00000 -1.0 2.0
   61    58    63    68  -0.33500  1.0 1.0
   61    58    63    68   1.06600 -1.0 2.0
   61    58    63    68  -0.14000  1.0 3.0
   61    65    71    72   0.30150 -1.0 2.0
   61    65    71    75   0.65300  1.0 1.0
   61    65    71    75  -0.03850 -1.0 2.0
   61    65    71    75   0.33900  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    71   0.09700  1.0 1.0
   62    61    65    71   0.15600 -1.0 2.0
   62    61    65    71  -0.50800  1.0 3.0
   65    71   -75    57   0.60050  1.0 1.0
   65    71   -75    57   0.05600 -1.0 2.0
   65    71   -75    57   0.26150  1.0 3.0
   65    71    75    76   0.00000  1.0 1.0
   65    71    75    77   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    75   0.00000  1.0 1.0
   67    65    71    72   0.00000  1.0 1.0
   67    65    71    75   0.00000  1.0 1.0
   72    71    75    57   0.30150 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   75    57   -58    61   0.09850  1.0 1.0
   75    57   -58    61   0.15250 -1.0 2.0
   75    57   -58    61  -0.50650  1.0 3.0
   75    57    58    63   0.09700  1.0 1.0
   75    57    58    63   0.15600 -1.0 2.0
   75    57    58    63  -0.50800  1.0 3.0
   75    57    59    60  -0.11600  1.0 1.0
   75    57    59    60  -0.09450 -1.0 2.0
   75    57    59    60   0.21250  1.0 3.0
   63    58    61    62   7.00000 -1.0 2.0
   63    58    61    65   7.00000 -1.0 2.0
   63    68    73    74   0.09700  1.0 1.0
   63    68    73    74   0.15600 -1.0 2.0
   63    68    73    74  -0.50800  1.0 3.0
   63    68    73    78  -0.51250  1.0 1.0
   63    68    73    78  -0.88800 -1.0 2.0
   63    68    73    78   0.08850  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    73   0.30150 -1.0 2.0
   68    73    78    79   7.00000 -1.0 2.0
   68    73    78    80   7.00000 -1.0 2.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    78   0.00000  1.0 1.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    78   0.00000  1.0 1.0
   73    78    80    81   1.00000 -1.0 2.0
   73    78    80    82  -0.33500  1.0 1.0
   73    78    80    82   1.06600 -1.0 2.0
   73    78    80    82  -0.14000  1.0 3.0
   74    73    78    79   7.00000 -1.0 2.0
   74    73    78    80   7.00000 -1.0 2.0
   78    80    82    83   0.00000  1.0 1.0
   78    80    82    84   0.00000  1.0 1.0
   78    80    82    85   0.65300  1.0 1.0
   78    80    82    85  -0.03850 -1.0 2.0
   78    80    82    85   0.33900  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.04550  1.0 1.0
   79    78    80    82   0.83000 -1.0 2.0
   79    78    80    82  -0.04000  1.0 3.0
   80    82    85    86   0.30150 -1.0 2.0
   80    82    85    87   0.65300  1.0 1.0
   80    82    85    87  -0.03850 -1.0 2.0
   80    82    85    87   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.30150 -1.0 2.0
   82    85    87    88   0.00000  1.0 1.0
   82    85    87    89   0.00000  1.0 1.0
   82    85    87    90   0.00000  1.0 1.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   84    82    85    86   0.00000  1.0 1.0
   84    82    85    87   0.00000  1.0 1.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.00000  1.0 1.0
   59    57    58    61   0.67800  1.0 1.0
   59    57    58    61   0.47050 -1.0 2.0
   59    57    58    61  -0.62500  1.0 3.0
   59    57    58    63   0.09700  1.0 1.0
   59    57    58    63   0.15600 -1.0 2.0
   59    57    58    63  -0.50800  1.0 3.0
   59    57    75    71  -0.09450  1.0 1.0
   59    57    75    71  -1.12950 -1.0 2.0
   59    57    75    71   0.54000  1.0 3.0
   59    57    75    76   0.23400  1.0 3.0
   59    57    75    77   0.23400  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43  -0.09450  1.0 1.0
   40    33    37    43  -1.12950 -1.0 2.0
   40    33    37    43   0.54000  1.0 3.0
   40    33    42    45   0.13850  1.0 1.0
   40    33    42    45  -1.34450 -1.0 2.0
   40    33    42    45   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    43    44  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
   57    63    58    61   1.10000 -1.0 2.0
   65    62    61    58   1.10000 -1.0 2.0
   65    75    71    72  10.50000 -1.0 2.0
   58    68    63    64  10.50000 -1.0 2.0
   68    74    73    78  15.00000 -1.0 2.0
   80    79    78    73  15.00000 -1.0 2.0
   78    82    80    81  10.50000 -1.0 2.0
   82    87    85    86  10.50000 -1.0 2.0
END
