* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    160    250     467
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02111   100.81189    18.30150
    3     1 S   H    _H1_     3     1.02073    38.32718   124.82640
    4     1 S   H    _H2_     4     1.02136    76.49394   -88.54272
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C18    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H19    37     1.09444   108.77346    41.29807
   35    33 S   HC   _H20    38     1.09376   108.79913   158.77924
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C17    39     1.51723   110.57141   -80.00097
   40    39 S   HC   _H10    40     1.09571   109.52055    55.86151
   41    39 S   CT   _C16    41     1.52247   115.47894  -179.65622
   42    41 S   HC   _H9_    42     1.09391   113.62756   -79.87340
   43    41 S   CT   _C15    43     1.51618   100.57445   158.71515
   44    43 S   HC   _H8_    44     1.09662   109.34522    79.07189
   45    41 S   OH   _O41    85     1.42416   110.15881    42.01530
   46    45 S   HO   _H21    86     0.96936   106.63392   -69.75903
   47    43 S   CO   _C14    45     1.52708   102.05064   -39.38499
   48    47 S   HC   _H7_    46     1.09524   111.60320   -89.18893
   49    43 S   OH   _O42    83     1.41444   111.78205  -160.41567
   50    49 S   HO   _H22    84     0.97268   107.12917   -60.00749
   51    47 S   N*   _N5_    47     1.46978   108.76239   154.37266
   52    39 S   OS   _O40    82     1.44150   109.33596   -61.10932
   53    51 S   CRA  _C6_    48     1.56192   121.45256    90.07026
   54    53 S   HA   _H12    49     1.09929   123.36152     0.02798
   55    53 S   N5B  _N6_    50     1.29792   112.17322  -179.98022
   56    55 S   C5B  _C7_    51     1.38312   104.58953     0.02798
   57    56 S   CG   _C8_    52     1.34884   129.51630   179.94405
   58    57 S   N*   _N7_    53     1.41640   116.90133  -179.98022
   59    57 S   NG   _N8_    79     1.37552   119.68331     0.03956
   60    59 S   H    _H17    80     0.99181   118.01056    -0.02798
   61    59 S   H    _H18    81     0.99159   118.06957   180.00000
   62    58 S   CDX  _C4_    54     1.38963   118.71044     0.00000
   63    62 S   HC   _H11    55     1.10169   113.30157  -179.98022
   64    58 S   CO   _C9_    58     1.43258   121.20511  -179.90935
   65    64 S   HC   _H3_    59     1.10916   108.55569    29.89798
   66    62 S   NI   _N4_    56     1.29844   127.94410    -0.02798
   67    64 S   CT   _C10    60     1.52026   114.32209   -93.87559
   68    67 S   HC   _H4_    61     1.03802   112.26787    82.55767
   69    51 S   C5A  _C5_    57     1.26843   134.41614   -89.88808
   70    67 S   CT   _C11    62     1.51516   100.40707  -158.25363
   71    70 S   HC   _H5_    63     1.14496   110.29764   -81.11072
   72    67 S   OH   _O39    77     1.42482   110.08801   -41.84953
   73    72 S   HO   _H16    78     0.97380   107.37971   -50.01565
   74    70 S   CT   _C12    64     1.52800   103.24614    37.02246
   75    74 S   HC   _H6_    65     1.09397   109.70980  -139.93401
   76    70 S   OH   _O38    75     1.41136   113.46201   160.78967
   77    76 S   HO   _H15    76     0.97045   106.66727    60.00002
   78    64 S   OS   _O33    66     1.43664   109.78564   147.07117
   79    74 S   CT   _C13    67     1.52178   115.92203    95.57544
   80    79 S   HC   _H13    68     1.09256   110.35245    40.00558
   81    79 S   HC   _H14    69     1.09287   110.36803   -80.88380
   82    79 S   OS   _O34    70     1.41784   108.88742   159.57138
   83    82 S   P3   _P1_    71     1.65274   118.76328  -179.98022
   84    83 S   O2Z  _O36    72     1.52576   103.55543   179.97202
   85    83 S   O2Z  _O37    73     1.52544   104.71315    60.28490
   86    83 S   O2Z  _O35    74     1.52654   104.66529   -60.34074
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1   9   2   6   3   6   9  12  15   5   1   1   7   3  13
   6   1  11   7   1  12   7   4   1   9   6   3   1   4   7   3
   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    69    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    56    66    69    52    49    50  
   51    53    69    52    49  
   50    51    52  
    0  
   53    54    55    56    57    62    66    69    52  
   53    69  
   54    55    56    57    66    69  
   55    56    69  
   56    57    58    66    69    59  
   57    58    62    66    69    64    59    60    61  
   58    62    63    66    69    64    65    67    78    59    60    61  
   62    63    66    69    64    65    67    68    70    74    78    72    59    60    61  
   60    61    62    64    69  
   61  
    0  
   63    66    69    64    65    67    78  
   66    69    64  
   65    67    68    70    71    74    75    78    79    76    72    73    66  
   67    68    70    74    78    72  
   69  
   68    70    71    74    75    78    79    76    77    72    73  
   70    71    74    78    76    72    73  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76    78  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5500   0.0700   0.260000   2.5000   1.7750   0.001000000  -0.843144165
   57   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   58   3.2500   0.1700   0.196800   1.9050   1.6860   0.051222218  -2.220205820
   59   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   60   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.068200   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   84   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   85   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   86   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   477.000  1.343
   51    69   427.000  1.381
   53    54   367.000  1.080
   53    55   488.000  1.335
   55    56   410.000  1.394
   56    57   335.000  1.452
   56    69   520.000  1.370
   57    58   590.000  1.308
   57    59   481.000  1.340
   58    62   360.000  1.429
   58    64   275.000  1.479
   62    63   370.000  1.091
   62    66   650.000  1.285
   66    69   440.000  1.363
   64    65   340.000  1.090
   64    67   250.000  1.527
   64    78   320.000  1.380
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   320.000  1.410
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   320.000  1.410
   82    83   230.000  1.630
   83    84   525.000  1.516
   83    85   525.000  1.516
   83    86   525.000  1.516
   76    77   553.000  0.945
   72    73   553.000  0.945
   59    60   434.000  1.010
   59    61   434.000  1.010
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    60.00000  127.66100
   47    51    69    65.00000  127.50000
   51    47    48    55.00000  103.44000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  120.00000
   51    69    56    70.00000  106.30000
   51    69    66    70.00000  120.54000
   53    55    56    70.00000  110.00000
   55    53    54    35.00000  120.00000
   55    56    57    80.00000  112.32000
   55    56    69    70.00000  111.00000
   56    57    58    70.00000  117.00000
   56    57    59    70.00000  121.95500
   56    69    66    65.00000  132.24000
   57    58    62    80.00000  121.67000
   57    58    64    65.00000  122.98000
   57    59    60    35.00000  120.00000
   57    59    61    35.00000  120.00000
   58    62    63    45.00000  112.72000
   58    62    66    80.00000  119.04400
   58    64    65    55.00000  103.44000
   58    64    67    75.00000  107.44000
   58    64    78   105.00000  106.22000
   62    66    69    85.00000  107.58000
   66    62    63    45.00000  121.92500
   69    51    53    70.00000  109.80000
   69    56    57    65.00000  119.06800
   64    58    62    70.00000  121.20000
   64    67    68    45.00000  108.72000
   64    67    70    75.00000  109.43000
   64    67    72    90.00000  111.58700
   64    78    74    60.00000  109.50000
   67    64    65    45.00000  112.01100
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    76    50.00000  109.50000
   67    72    73    55.00000  108.50000
   70    67    68    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    74    79    58.35000  112.70000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    50.00000  109.50000
   78    64    65    35.00000  109.50000
   78    64    67    90.00000  108.56700
   78    74    75    35.00000  109.50000
   79    74    75    37.50000  110.70000
   79    74    78    50.00000  109.50000
   79    82    83    80.00000  112.68000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    83    84   100.00000  107.00000
   82    83    85   100.00000  107.00000
   82    83    86   100.00000  107.00000
   85    83    84   140.00000  114.00000
   86    83    84   140.00000  114.00000
   86    83    85   140.00000  114.00000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    67    68    35.00000  109.50000
   72    67    70    50.00000  109.50000
   59    57    58    90.00000  116.72000
   61    59    60    35.00000  120.00000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.64600  1.0 1.0
   41    43    47    51   0.58400 -1.0 2.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   1.10250  1.0 1.0
   43    47    51    53   0.01650 -1.0 2.0
   43    47    51    53   0.39100  1.0 3.0
   43    47    51    69   1.10250  1.0 1.0
   43    47    51    69   0.01650 -1.0 2.0
   43    47    51    69   0.39100  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    69    56   0.81400  1.0 1.0
   47    51    69    56   1.55550 -1.0 2.0
   47    51    69    66   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    69   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53   -55    56   5.00000 -1.0 2.0
   53    51   -69    56   1.40000 -1.0 2.0
   53    51    69    66   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55   -56    69   2.40000 -1.0 2.0
   54    53    55    56   5.00000 -1.0 2.0
   55    56    57    58   0.30050 -1.0 2.0
   55    56    57    58   0.16600  1.0 3.0
   55    56    57    59   0.82800 -1.0 2.0
   55    56    57    59  -0.30500 -1.0 4.0
   55    56   -69    51   5.37500 -1.0 2.0
   55    56    69    66   3.62500 -1.0 2.0
   56    57    58    62   3.62500 -1.0 2.0
   56    57    58    64   3.62500 -1.0 2.0
   56    57    59    60   1.50000 -1.0 2.0
   56    57    59    61   1.50000 -1.0 2.0
   57    56    69    51   3.62500 -1.0 2.0
   57    56    69    66   3.62500 -1.0 2.0
   57    58    62    63   3.62500 -1.0 2.0
   57    58   -62    66   3.62500 -1.0 2.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    67   2.08450  1.0 1.0
   57    58    64    67  -0.39300 -1.0 2.0
   57    58    64    67   0.23400  1.0 3.0
   57    58    64    78  -0.28000  1.0 1.0
   57    58    64    78  -1.16550 -1.0 2.0
   58    57    59    60   1.50000 -1.0 2.0
   58    57    59    61   1.50000 -1.0 2.0
   58    62    66    69   6.00000 -1.0 2.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    70  -0.27100  1.0 1.0
   58    64    67    70  -0.01700 -1.0 2.0
   58    64    67    70  -0.48600  1.0 3.0
   58    64    67    72   2.76900  1.0 1.0
   58    64    67    72  -0.24350 -1.0 2.0
   58    64    67    72  -0.78250  1.0 3.0
   58    64    78    74  -2.37750  1.0 1.0
   58    64    78    74  -0.08150 -1.0 2.0
   58    64    78    74   0.59000  1.0 3.0
   62    58    64    65   0.00000  1.0 1.0
   62    58    64    67   2.08450  1.0 1.0
   62    58    64    67  -0.39300 -1.0 2.0
   62    58    64    67   0.23400  1.0 3.0
   62    58    64    78  -0.28000  1.0 1.0
   62    58    64    78  -1.16550 -1.0 2.0
   62    66    69    51   1.25000 -1.0 2.0
   62    66   -69    56   1.25000 -1.0 2.0
   63    62    66    69   4.00000 -1.0 2.0
   69    51    53    54   2.32500 -1.0 2.0
   69    51   -53    55   2.32500 -1.0 2.0
   69    56   -57    58   0.30050 -1.0 2.0
   69    56   -57    58   0.16600  1.0 3.0
   69    56    57    59   0.64350 -1.0 2.0
   69    56    57    59  -0.29100 -1.0 4.0
   64    58    62    63   1.88100 -1.0 2.0
   64    58    62    66   3.62500 -1.0 2.0
   64    67    70    71   0.15000  1.0 3.0
   64    67   -70    74   3.97050  1.0 1.0
   64    67    70    76   0.86500  1.0 1.0
   64    67    70    76  -0.17500 -1.0 2.0
   64    67    70    76   0.20800  1.0 3.0
   64    67    72    73  -0.11600  1.0 1.0
   64    67    72    73  -0.09450 -1.0 2.0
   64    67    72    73   0.21250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.23400  1.0 3.0
   65    64    78    74   0.37050  1.0 3.0
   67    64   -78    74   0.06250  1.0 1.0
   67    64   -78    74  -0.01100 -1.0 2.0
   67    64   -78    74   0.28050  1.0 3.0
   67    70    74    75   0.15000  1.0 3.0
   67    70   -74    78   0.62750  1.0 1.0
   67    70   -74    78  -0.30950 -1.0 2.0
   67    70   -74    78   0.27300  1.0 3.0
   67    70    74    79   0.56750  1.0 1.0
   67    70    74    79  -0.07550 -1.0 2.0
   67    70    74    79   0.20000  1.0 3.0
   67    70    76    77  -0.11600  1.0 1.0
   67    70    76    77  -0.09450 -1.0 2.0
   67    70    76    77   0.21250  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    74   0.15000  1.0 3.0
   68    67    70    76   0.23400  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   70    67    72    73  -0.11600  1.0 1.0
   70    67    72    73  -0.09450 -1.0 2.0
   70    67    72    73   0.21250  1.0 3.0
   70    74   -78    64   0.06250  1.0 1.0
   70    74   -78    64  -0.01100 -1.0 2.0
   70    74   -78    64   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82   0.62750  1.0 1.0
   70    74    79    82  -0.30950 -1.0 2.0
   70    74    79    82   0.27300  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    79    82    83  -2.65550  1.0 1.0
   74    79    82    83  -0.22350 -1.0 2.0
   74    79    82    83   0.24150  1.0 3.0
   75    74    78    64   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    64    67    68   0.23400  1.0 3.0
   78    64   -67    70   0.62750  1.0 1.0
   78    64   -67    70  -0.30950 -1.0 2.0
   78    64   -67    70   0.27300  1.0 3.0
   78    64    67    72   3.69350  1.0 1.0
   78    64    67    72  -1.82950 -1.0 2.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.11900  1.0 1.0
   78    74    79    82  -1.16350 -1.0 2.0
   78    74    79    82  -0.34150  1.0 3.0
   79    74    78    64   0.06250  1.0 1.0
   79    74    78    64  -0.01100 -1.0 2.0
   79    74    78    64   0.28050  1.0 3.0
   79    82    83    84   0.00000  1.0 1.0
   79    82    83    85   0.00000  1.0 1.0
   79    82    83    86   0.00000  1.0 1.0
   80    79    82    83   0.03000  1.0 3.0
   81    79    82    83   0.03000  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   3.69350  1.0 1.0
   76    70    74    78  -1.82950 -1.0 2.0
   76    70    74    79   0.86500  1.0 1.0
   76    70    74    79  -0.17500 -1.0 2.0
   76    70    74    79   0.20800  1.0 3.0
   72    67    70    71   0.23400  1.0 3.0
   72    67    70    74   0.86500  1.0 1.0
   72    67    70    74  -0.17500 -1.0 2.0
   72    67    70    74   0.20800  1.0 3.0
   72    67    70    76   3.75450  1.0 1.0
   59    57    58    62   3.62500 -1.0 2.0
   59    57    58    64   3.62500 -1.0 2.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.10350  1.0 1.0
   52    47    51    53  -0.15350 -1.0 2.0
   52    47    51    69   0.10350  1.0 1.0
   52    47    51    69  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   53    69    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    69    56    55   4.00000 -1.0 2.0
   58    56    57    59  10.50000 -1.0 2.0
   64    57    58    62   1.00000 -1.0 2.0
   58    63    62    66  10.50000 -1.0 2.0
   56    66    69    51   4.00000 -1.0 2.0
   60    61    59    57   1.00000 -1.0 2.0
END
