* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    149    232     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.80543    98.16150   161.78140
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C12    37     1.51732   109.87287   159.97692
   38    33 S   OH   _O25    81     1.42594   110.80225    40.49856
   39    38 S   HO   _H48    82     0.96966   106.48819   -59.54585
   40    37 S   CMA  _C13    38     1.34584   112.14702   120.16903
   41    40 S   OM   _O23    39     1.25409   137.15416   179.41017
   42    37 S   CO4  _C15    75     1.46003   123.93123   -61.75642
   43    42 S   O    _O24    76     1.23533   120.81954   -27.46806
   44    40 S   NE   _N22    40     1.37604   108.61743     0.94066
   45    44 S   H    _H47    41     1.01131   121.25231   174.67671
   46    42 S   CT   _C19    77     1.51003   118.19954   152.16385
   47    46 S   HC   _H33    78     1.09375   110.95723    89.94184
   48    46 S   HC   _H34    79     1.09349   109.39201   -29.87493
   49    46 S   HC   _H35    80     1.09245   109.41959  -150.59403
   50    33 S   CT   _C17    42     1.56874   116.37650   -84.41090
   51    50 S   HC   _H32    43     1.09770   109.82850   130.65684
   52    50 S   CT   _C23    44     1.52335   118.42111     5.56268
   53    52 S   HC   _H44    45     1.09585   109.61314    63.86134
   54    52 S   HC   _H45    46     1.09677   109.61278   -52.24667
   55    52 S   C5B  _C10    47     1.50528   111.77010  -174.15749
   56    55 S   C5A  _C7_    48     1.37558   125.35442   103.11504
   57    56 S   HA   _H30    49     1.08142   131.62419    -0.04423
   58    56 S   NA   _N21    50     1.36925   107.95820   179.97202
   59    58 S   H    _H46    51     1.01098   124.93610   179.98022
   60    58 S   C56A _C11    52     1.37689   110.15697    -0.06561
   61    60 S   CA   _C6_    53     1.39883   130.19076  -180.00000
   62    61 S   HA   _H29    54     1.08517   121.53711     0.02798
   63    61 S   CA   _C4_    55     1.39841   117.53849  -179.95154
   64    63 S   HA   _H27    56     1.08703   119.38950  -179.95154
   65    63 S   CA   _C5_    57     1.39328   121.00683    -0.00000
   66    65 S   HA   _H28    58     1.08772   119.06622  -179.92867
   67    65 S   CA   _C9_    59     1.39927   120.83035     0.03426
   68    55 S   C56B _C8_    60     1.42273   126.95068   -76.97942
   69    67 S   CT   _C22    61     1.49629   118.01890  -179.97202
   70    69 S   HC   _H42    62     1.10152   109.88848  -179.97202
   71    69 S   HC   _H43    63     1.09874   110.03323   -66.12986
   72    69 S   CM   _C14    64     1.50733   112.78643    59.62621
   73    72 S   HC   _H31    65     1.08982   114.04403    32.54864
   74    72 S   CM   _C16    66     1.34684   128.05022  -148.49655
   75    74 S   CT   _C20    67     1.50201   125.26167  -180.00000
   76    75 S   HC   _H36    68     1.09189   113.63720    90.05646
   77    75 S   HC   _H37    69     1.09541   109.99796  -150.10119
   78    75 S   HC   _H38    70     1.09415   110.08594   -30.81359
   79    74 S   CT   _C21    71     1.50568   120.35614    -0.42011
   80    79 S   HC   _H39    72     1.09515   112.45135    89.98992
   81    79 S   HC   _H40    73     1.09503   110.18332  -149.97409
   82    79 S   HC   _H41    74     1.09454   110.30028   -30.20037
  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   2   1   1  15   7   1   9   4   7   4   7   3   3   2   1
   1   7   4   9   4   3  10   7   4   7   3   8   7   4   6   3
   7   3   7   4   7   4   3  10   3   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    44    50    51    52    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    45    50    51    52    53    54    55    42    43    46    38    39  
   35    36  
   36  
    0  
   40    41    44    45    50    51    52    42    43    46    47    48    49    38    39  
   39    40    42    44    50    51    52  
   50  
   41    44    45    50    51    52    42    43    46  
   44    45    50    42  
   43    46    47    48    49    44    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    68  
   52    53    54    55  
   53    54    55    56    57    58    60    67    68  
   54    55    56    68  
   55    56    68  
   56    57    58    59    60    61    65    67    68    69  
   57    58    59    60    61    67    68  
   58    59    60    68  
   59    60    61    62    63    67    68  
   60    61    68  
   61    62    63    64    65    67    68    69  
   62    63    64    65    66    67    68  
   63    64    65    68  
   64    65    66    67    68    69  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.432500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   59   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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    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   317.000  1.510
   33    50   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   320.000  1.462
   40    41   745.000  1.250
   40    44   415.000  1.382
   44    45   434.000  1.010
   44    50   382.000  1.448
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   295.000  1.494
   55    56   520.000  1.370
   55    68   380.000  1.440
   56    57   367.000  1.080
   56    58   427.000  1.381
   58    59   434.000  1.010
   58    60   428.000  1.380
   60    61   469.000  1.400
   60    68   447.000  1.419
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   469.000  1.404
   67    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    50    44    80.00000  111.61500
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    75.00000  114.40000
   37    42    43    80.00000  123.72100
   37    42    46    65.00000  118.62400
   40    44    45    50.00000  121.48000
   40    44    50    50.00000  121.00000
   44    40    41   105.00000  113.92000
   44    50    51    35.00000  109.50000
   44    50    52    80.00000  111.61500
   50    33    37    70.00000  112.02700
   50    44    45    35.00000  112.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    70.00000  112.62400
   52    50    51    37.50000  110.70000
   52    55    56    55.00000  127.77900
   52    55    68    55.00000  128.73000
   54    52    53    33.00000  107.80000
   55    52    53    45.00000  111.11700
   55    52    54    45.00000  111.11700
   55    56    57    35.00000  130.70000
   55    56    58    70.00000  106.30000
   55    68    60    80.00000  107.43600
   55    68    67    50.00000  134.85500
   56    58    59    35.00000  120.00000
   56    58    60    90.00000  107.14200
   58    56    57    35.00000  121.60000
   58    60    61    70.00000  132.80000
   58    60    68    70.00000  104.40000
   60    58    59    35.00000  123.10000
   60    61    62    35.00000  120.00000
   60    61    63    85.00000  120.00000
   60    68    67    85.00000  116.20000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    63.00000  120.00000
   65    67    69    70.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    70.00000  112.99600
   68    55    56    80.00000  105.82900
   68    60    61    85.00000  122.70000
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    79    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   42    37    40    60.00000  125.92000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    44   7.00000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    46   0.25700  1.0 1.0
   33    37    42    46   0.66200 -1.0 2.0
   33    37    42    46   0.04450  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55  -0.03700  1.0 1.0
   33    50    52    55   0.37200 -1.0 2.0
   33    50    52    55  -0.47300  1.0 3.0
   37    33   -50    44   0.21700  1.0 1.0
   37    33   -50    44   0.68550 -1.0 2.0
   37    33   -50    44  -0.27950  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    44    45   1.00000 -1.0 2.0
   37    40   -44    50  -0.54700  1.0 1.0
   37    40   -44    50   1.23000 -1.0 2.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    48   0.00000  1.0 1.0
   37    42    46    49   0.00000  1.0 1.0
   40    37    42    43   1.00000 -1.0 2.0
   40    37    42    46  -0.33500  1.0 1.0
   40    37    42    46   1.06600 -1.0 2.0
   40    37    42    46  -0.14000  1.0 3.0
   40    44   -50    33   0.25450  1.0 1.0
   40    44   -50    33  -0.61700 -1.0 2.0
   40    44   -50    33  -0.23550  1.0 3.0
   40    44    50    51   0.00000  1.0 1.0
   40    44    50    52   0.25450  1.0 1.0
   40    44    50    52  -0.61700 -1.0 2.0
   40    44    50    52  -0.23550  1.0 3.0
   41    40    44    45   1.00000 -1.0 2.0
   41    40    44    50   1.00000 -1.0 2.0
   44    50    52    53   0.22950  1.0 3.0
   44    50    52    54   0.22950  1.0 3.0
   44    50    52    55   0.08550  1.0 1.0
   44    50    52    55   1.07500 -1.0 2.0
   44    50    52    55  -0.10950  1.0 3.0
   45    44    50    33   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    37    42   0.09700  1.0 1.0
   50    33    37    42   0.15600 -1.0 2.0
   50    33    37    42  -0.50800  1.0 3.0
   50    33    38    39  -0.11600  1.0 1.0
   50    33    38    39  -0.09450 -1.0 2.0
   50    33    38    39   0.21250  1.0 3.0
   50    52    55    56   0.04150 -1.0 2.0
   50    52    55    68   0.04150 -1.0 2.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.43200  1.0 3.0
   52    55    56    57   3.62500 -1.0 2.0
   52    55    56    58   3.62500 -1.0 2.0
   52    55    68    60   3.62500 -1.0 2.0
   52    55    68    67   3.62500 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    68   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    68   0.00000  1.0 1.0
   55    56    58    59   1.40000 -1.0 2.0
   55    56   -58    60   3.62500 -1.0 2.0
   56    55   -68    60   3.50000 -1.0 2.0
   56    55    68    67   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    68   3.62500 -1.0 2.0
   57    56    58    59   2.00000 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60   -68    55   3.00000 -1.0 2.0
   58    60    68    67   3.00000 -1.0 2.0
   59    58    60    61   1.52500 -1.0 2.0
   59    58    60    68   1.52500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    68    55   3.00000 -1.0 2.0
   61    60    68    67   3.00000 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63   -65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   63    65    67    69   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    55   3.62500 -1.0 2.0
   65    67   -68    60   3.50000 -1.0 2.0
   65    67    69    70   0.00000  1.0 1.0
   65    67    69    71   0.00000  1.0 1.0
   65    67    69    72   0.18050 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    74   1.44450  1.0 1.0
   67    69    72    74   0.06600 -1.0 2.0
   67    69    72    74   0.29250  1.0 3.0
   68    55    56    57   3.62500 -1.0 2.0
   68    55   -56    58   3.62500 -1.0 2.0
   68    60    61    62   3.62500 -1.0 2.0
   68    60   -61    63   3.62500 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   68    67    69    72   0.18050 -1.0 2.0
   69    67    68    55   3.62500 -1.0 2.0
   69    67    68    60   3.62500 -1.0 2.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    79   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    78   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    50    44   4.07950  1.0 1.0
   38    33    50    44  -0.26450 -1.0 2.0
   38    33    50    44  -0.12150  1.0 3.0
   38    33    50    51   0.23400  1.0 3.0
   38    33    50    52   0.86500  1.0 1.0
   38    33    50    52  -0.17500 -1.0 2.0
   38    33    50    52   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   45    40    44    50   1.00000 -1.0 2.0
   56    68    55    52   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   59    56    58    60   1.00000 -1.0 2.0
   61    68    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   68    69    67    65   4.00000 -1.0 2.0
   60    67    68    55   4.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   75    79    74    72  15.00000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
END
