* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    148    233     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081   104.93227   -32.13109
    3     1 S   H    _H1_     3     1.02069    66.99946    72.16334
    4     1 S   H    _H2_     4     1.02134    45.74345  -133.82234
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C14    36     1.85535    97.15420  -158.15188
   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   CM   _C8_    37     1.49469   109.53794   179.98022
   38    37 S   CM   _C7_    38     1.34062   122.40220   103.92652
   39    37 S   CT   _C9_    52     1.50981   106.70465   -82.20894
   40    39 S   HC   _H3_    53     1.09393   105.50657    83.74586
   41    38 S   CM   _C6_    39     1.46960   122.10335    -2.53281
   42    38 S   OH   _O37    50     1.38106   120.91449   175.42817
   43    42 S   HO   _H19    51     0.96279   109.95910  -178.05922
   44    39 S   CO   _C10    54     1.55248   102.27790   -29.74610
   45    39 S   CT   _C17    70     1.52676   119.10300  -158.64516
   46    45 S   HC   _H15    71     1.08840   109.78932   159.97245
   47    45 S   HC   _H16    72     1.08917   109.82056    39.05193
   48    41 S   CM   _C5_    40     1.35590   120.31779    12.13495
   49    41 S   NE   _N7_    47     1.37522   116.61219  -167.81550
   50    49 S   H    _H20    48     0.99166   118.09344  -180.00000
   51    49 S   H    _H21    49     0.99219   118.10425    -0.05595
   52    44 S   C3T  _C11    55     1.49971   116.61865  -106.40641
   53    52 S   HC   _H4_    56     1.08029   116.47979  -102.98978
   54    44 S   OS   _O34    65     1.43324   108.22012   131.60933
   55    45 S   OS   _O35    73     1.41517   108.45295   -80.49638
   56    33 S   CO4  _C15    41     1.52559   104.57299   -57.68684
   57    56 S   O    _O33    42     1.23238   121.83554    75.28342
   58    48 S   CT   _C4_    43     1.50517   125.74457   176.91777
   59    58 S   HC   _H6_    44     1.08637   109.22084    90.01355
   60    58 S   HC   _H7_    45     1.08616   109.30697   -30.11111
   61    58 S   HC   _H8_    46     1.08626   109.27546  -149.85113
   62    52 S   C3T  _C12    57     1.47448   107.93740   118.51319
   63    62 S   HC   _H5_    58     1.07725   120.92146   134.41733
   64    54 S   CT   _C16    66     1.41764   111.11962  -160.03959
   65    64 S   HC   _H12    67     1.09349   109.51939   179.97202
   66    64 S   HC   _H13    68     1.09293   109.53944    59.25357
   67    64 S   HC   _H14    69     1.09173   109.05839   -60.39938
   68    55 S   CO4  _C18    74     1.37145   116.29472   179.97202
   69    68 S   O    _O36    75     1.22646   124.74277     0.06256
   70    62 S   CT   _C13    59     1.48543   109.24563    -6.02639
   71    70 S   HC   _H10    60     1.09413   110.60073   129.39239
   72    70 S   HC   _H11    61     1.09525   108.48877  -112.13209
   73    52 S   NTH  _N4_    63     1.46050   123.14615    54.00901
   74    73 S   H    _H9_    64     1.01866   111.00446   -10.48002
   75    68 S   N    _N6_    76     1.37315   111.01835  -180.00000
   76    75 S   H    _H17    77     1.01411   119.33265   180.00000
   77    75 S   H    _H18    78     1.01519   121.34424     0.06561
   78    33 S   NTH0 _N5_    62     1.48204   110.42756    65.12069
  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
  19   2   1   1  19  14  18   8  12   3   1  20   9   3   2  10
   4   1   1  11   7   8   5   7   2   3   2   1   1   7   6   4
   2   1   1   4   3   5   3   2   2   1   2   1   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    56    78    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    56    57    39    44    70    78  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    48    56    57    58    42    39    40    44    52    62    70    71    72    78    54    45  
   35    36  
   36  
    0  
   38    41    48    56    57    49    42    43    39    40    44    52    70    78    54    45    46    47    55  
   41    48    56    58    49    50    51    42    43    39    40    44    78    45  
   40    44    52    53    62    70    78    73    54    64    45    46    47    55    68    41    42    56  
   44    52    78    54    45    46    47    55  
   48    56    57    58    59    60    61    49    50    51    42    43  
   43    48    49  
    0  
   52    53    62    63    70    71    72    78    73    74    54    64    65    66    67    45    46    47    55    56  
   46    47    55    68    69    75    52    54    78  
   47    55    68  
   55    68  
   56    57    58    59    60    61    49    50    51    78  
   50    51    56    58  
   51  
    0  
   53    62    63    70    71    72    78    73    74    54    64  
   62    63    70    78    73    74    54  
   64    65    66    67    62    70    73    78  
   68    69    75    76    77  
   57    58    59    60    61    70    78  
   58    78  
   59    60    61  
   60    61  
   61  
    0  
   63    70    71    72    78    73    74  
   70    71    72    78    73    74  
   65    66    67    78  
   66    67  
   67  
    0  
   69    75    76    77  
   75    76    77  
   71    72    78    73    74  
   72    78    73  
   78    73  
   74    78  
    0  
   76    77  
   77  
    0  
    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   0.377500   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   78   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
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    56   317.000  1.522
   33    78   310.000  1.447
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    41   380.000  1.444
   38    42   510.000  1.338
   41    48   549.000  1.340
   41    49   425.000  1.378
   48    56   320.000  1.462
   48    58   317.000  1.510
   56    57   570.000  1.229
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   49    50   434.000  1.010
   49    51   434.000  1.010
   42    43   553.000  0.945
   39    40   340.000  1.090
   39    44   250.000  1.527
   39    45   268.000  1.529
   44    52   275.000  1.510
   44    78   310.000  1.447
   44    54   320.000  1.380
   52    53   340.000  1.088
   52    62   260.000  1.509
   52    73   315.000  1.448
   62    63   340.000  1.088
   62    70   275.000  1.510
   62    73   315.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   310.000  1.447
   73    74   500.000  1.015
   54    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   320.000  1.410
   55    68   214.000  1.327
   68    69   570.000  1.229
   68    75   435.000  1.380
   75    76   434.000  1.010
   75    77   434.000  1.010
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    56    75.00000  110.18000
   29    33    78    85.00000  109.00000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    56    48    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    78    44    80.00000  110.40700
   33    78    70    80.00000  110.40700
   37    38    41    70.00000  123.01800
   37    38    42    80.00000  121.38400
   37    39    40    35.00000  109.50000
   37    39    44    70.00000  112.02700
   37    39    45    70.00000  112.02700
   38    41    48    70.00000  123.01800
   38    41    49    70.00000  124.03900
   38    42    43    70.00000  107.45700
   41    48    56    65.00000  118.96000
   41    48    58    70.00000  124.00000
   41    49    50    35.00000  114.50000
   41    49    51    35.00000  114.50000
   48    56    57    80.00000  123.72100
   48    58    59    35.00000  109.50000
   48    58    60    35.00000  109.50000
   48    58    61    35.00000  109.50000
   56    33    37    70.00000  109.06800
   58    48    56    65.00000  116.34900
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   49    41    48    70.00000  124.03900
   51    49    50    35.00000  109.00000
   42    38    41    80.00000  121.38400
   39    37    38    70.00000  124.00000
   39    44    52    65.00000  112.71400
   39    44    78    75.00000  113.73300
   39    44    54    90.00000  108.56700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    50.00000  109.50000
   44    39    40    45.00000  108.72000
   44    52    53    40.00000  115.04500
   44    52    62    60.00000  120.94000
   44    52    73    80.00000  104.84000
   44    78    70    80.00000  110.40700
   44    54    64    60.00000  109.50000
   52    62    63    37.50000  117.20000
   52    62    70    60.00000  120.94000
   52    62    73    30.00000   60.00000
   52    73    62    10.00000   60.00000
   52    73    74    50.00000  109.23200
   62    52    53    37.50000  117.20000
   62    70    71    45.00000  109.38400
   62    70    72    45.00000  109.38400
   62    70    78    75.00000  113.73300
   62    73    74    50.00000  109.23200
   70    62    63    40.00000  115.04500
   72    70    71    33.00000  107.80000
   78    33    37    75.00000  110.70900
   78    33    56    75.00000  112.82000
   78    44    52    75.00000  113.73300
   78    70    71    50.00000  110.15500
   78    70    72    50.00000  110.15500
   73    52    53    50.00000  110.59500
   73    52    62    30.00000   60.00000
   73    62    63    50.00000  110.59500
   73    62    70    80.00000  111.29100
   54    44    52    90.00000  108.56700
   54    44    78   100.00000  112.06800
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    44    75.00000  109.43000
   45    55    68    83.00000  116.90000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    68    69    83.00000  123.40000
   55    68    75   110.00000  108.75700
   68    75    76    50.00000  116.34900
   68    75    77    50.00000  116.34900
   75    68    69    85.00000  125.96000
   77    75    76    35.00000  120.00000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    78   0.01700  1.0 1.0
   24    29    33    78  -0.23550 -1.0 2.0
   24    29    33    78   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    56    48   0.65300  1.0 1.0
   29    33    56    48  -0.03850 -1.0 2.0
   29    33    56    48   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    78    44   0.23200  1.0 1.0
   29    33    78    44   0.02100 -1.0 2.0
   29    33    78    44   0.24950  1.0 3.0
   29    33    78    70   0.23200  1.0 1.0
   29    33    78    70   0.02100 -1.0 2.0
   29    33    78    70   0.24950  1.0 3.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    39    40   0.34800  1.0 3.0
   33    37   -39    44   0.46850  1.0 1.0
   33    37   -39    44   0.08550 -1.0 2.0
   33    37   -39    44   0.09800  1.0 3.0
   33    37    39    45   0.46850  1.0 1.0
   33    37    39    45   0.08550 -1.0 2.0
   33    37    39    45   0.09800  1.0 3.0
   37    33    56    48   0.65300  1.0 1.0
   37    33    56    48  -0.03850 -1.0 2.0
   37    33    56    48   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33   -78    44  -0.60800  1.0 1.0
   37    33   -78    44   1.10050 -1.0 2.0
   37    33   -78    44   0.47000  1.0 3.0
   37    33    78    70  -0.60800  1.0 1.0
   37    33    78    70   1.10050 -1.0 2.0
   37    33    78    70   0.47000  1.0 3.0
   37    38   -41    48   0.28850  1.0 1.0
   37    38   -41    48   2.61350 -1.0 2.0
   37    38   -41    48   0.78400  1.0 3.0
   37    38    41    49  -0.18600  1.0 3.0
   37    38    42    43  -0.66100  1.0 1.0
   37    38    42    43   1.20850 -1.0 2.0
   37    38    42    43  -0.36000  1.0 3.0
   37    39    44    52   0.34400  1.0 1.0
   37    39    44    52   0.09450 -1.0 2.0
   37    39    44    52   0.11100  1.0 3.0
   37    39   -44    78   0.59950  1.0 1.0
   37    39   -44    78  -0.21400 -1.0 2.0
   37    39   -44    78   0.56200  1.0 3.0
   37    39    44    54   0.61850  1.0 1.0
   37    39    44    54  -0.22750 -1.0 2.0
   37    39    44    54   0.15300  1.0 3.0
   37    39    45    46   0.15000  1.0 3.0
   37    39    45    47   0.15000  1.0 3.0
   37    39    45    55   0.61850  1.0 1.0
   37    39    45    55  -0.22750 -1.0 2.0
   37    39    45    55   0.15300  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    44   0.09850  1.0 1.0
   38    37    39    44   0.15250 -1.0 2.0
   38    37    39    44  -0.50650  1.0 3.0
   38    37    39    45   0.09850  1.0 1.0
   38    37    39    45   0.15250 -1.0 2.0
   38    37    39    45  -0.50650  1.0 3.0
   38    41    48    56   7.00000 -1.0 2.0
   38    41    48    58   7.00000 -1.0 2.0
   38    41    49    50   1.00000 -1.0 2.0
   38    41    49    51   1.00000 -1.0 2.0
   41    38    42    43  -0.66100  1.0 1.0
   41    38    42    43   1.20850 -1.0 2.0
   41    38    42    43  -0.36000  1.0 3.0
   41    48   -56    33  -0.33500  1.0 1.0
   41    48   -56    33   1.06600 -1.0 2.0
   41    48   -56    33  -0.14000  1.0 3.0
   41    48    56    57   1.00000 -1.0 2.0
   41    48    58    59   0.00000  1.0 1.0
   41    48    58    60   0.00000  1.0 1.0
   41    48    58    61   0.00000  1.0 1.0
   48    41    49    50   1.00000 -1.0 2.0
   48    41    49    51   1.00000 -1.0 2.0
   56    33   -37    38  -0.51250  1.0 1.0
   56    33   -37    38  -0.88800 -1.0 2.0
   56    33   -37    38   0.08850  1.0 3.0
   56    33    37    39   0.17250  1.0 1.0
   56    33    37    39  -0.04100 -1.0 2.0
   56    33    37    39  -0.33850  1.0 3.0
   56    33    78    44  -1.76800  1.0 1.0
   56    33    78    44   1.02600 -1.0 2.0
   56    33    78    44   0.19700  1.0 3.0
   56    33    78    70  -1.76800  1.0 1.0
   56    33    78    70   1.02600 -1.0 2.0
   56    33    78    70   0.19700  1.0 3.0
   56    48    58    59   0.15000  1.0 3.0
   56    48    58    60   0.15000  1.0 3.0
   56    48    58    61   0.15000  1.0 3.0
   58    48    56    33   0.25700  1.0 1.0
   58    48    56    33   0.66200 -1.0 2.0
   58    48    56    33   0.04450  1.0 3.0
   58    48    56    57  -0.64400  1.0 1.0
   58    48    56    57   0.26850 -1.0 2.0
   49    41    48    56   7.00000 -1.0 2.0
   49    41    48    58   7.00000 -1.0 2.0
   42    38    41    48   0.50950  1.0 1.0
   42    38    41    48   0.56650 -1.0 2.0
   42    38    41    48   0.34050  1.0 3.0
   42    38    41    49   1.08500 -1.0 2.0
   39    37    38    41   7.00000 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    44    52    53   0.15000  1.0 3.0
   39    44    52    62   0.07850  1.0 1.0
   39    44    52    62  -0.03950 -1.0 2.0
   39    44    52    62   0.67350  1.0 3.0
   39    44    52    73   1.53400  1.0 1.0
   39    44    52    73  -0.09950 -1.0 2.0
   39    44    52    73   0.05700  1.0 3.0
   39    44   -78    33   1.99000  1.0 1.0
   39    44   -78    33   0.18800 -1.0 2.0
   39    44   -78    33   0.81350  1.0 3.0
   39    44    78    70   1.99000  1.0 1.0
   39    44    78    70   0.18800 -1.0 2.0
   39    44    78    70   0.81350  1.0 3.0
   39    44    54    64   0.06250  1.0 1.0
   39    44    54    64  -0.01100 -1.0 2.0
   39    44    54    64   0.28050  1.0 3.0
   39    45    55    68  -0.25900  1.0 1.0
   39    45    55    68  -0.47000 -1.0 2.0
   39    45    55    68   0.11750  1.0 3.0
   40    39    44    52   0.15000  1.0 3.0
   40    39    44    78   0.15000  1.0 3.0
   40    39    44    54   0.23400  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    55   0.23400  1.0 3.0
   44    39    45    46   0.15000  1.0 3.0
   44    39    45    47   0.15000  1.0 3.0
   44    39    45    55   0.62750  1.0 1.0
   44    39    45    55  -0.30950 -1.0 2.0
   44    39    45    55   0.27300  1.0 3.0
   44    52    62    63   0.15000  1.0 3.0
   44    52   -62    70   3.97050  1.0 1.0
   44    52   -62    73   1.53400  1.0 1.0
   44    52   -62    73  -0.09950 -1.0 2.0
   44    52   -62    73   0.05700  1.0 3.0
   44    52   -73    62  -0.35450  1.0 1.0
   44    52   -73    62   0.44050 -1.0 2.0
   44    52   -73    62   0.77100  1.0 3.0
   44    52    73    74   0.03200  1.0 1.0
   44    52    73    74   0.33800 -1.0 2.0
   44    54    64    65   0.37050  1.0 3.0
   44    54    64    66   0.37050  1.0 3.0
   44    54    64    67   0.37050  1.0 3.0
   52    44    78    33   1.99000  1.0 1.0
   52    44    78    33   0.18800 -1.0 2.0
   52    44    78    33   0.81350  1.0 3.0
   52    44   -78    70   1.99000  1.0 1.0
   52    44   -78    70   0.18800 -1.0 2.0
   52    44   -78    70   0.81350  1.0 3.0
   52    44    54    64   0.06250  1.0 1.0
   52    44    54    64  -0.01100 -1.0 2.0
   52    44    54    64   0.28050  1.0 3.0
   52    62    70    71   0.15000  1.0 3.0
   52    62    70    72   0.15000  1.0 3.0
   52    62   -70    78   1.53400  1.0 1.0
   52    62   -70    78  -0.09950 -1.0 2.0
   52    62   -70    78   0.05700  1.0 3.0
   52    62   -73    74   0.03200  1.0 1.0
   52    62   -73    74   0.33800 -1.0 2.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    70   0.15000  1.0 3.0
   53    52   -62    73   0.15000  1.0 3.0
   53    52   -73    62   0.28000  1.0 3.0
   53    52    73    74   0.20000  1.0 3.0
   62    52   -73    74   0.03200  1.0 1.0
   62    52   -73    74   0.33800 -1.0 2.0
   62    70    78    33   1.99000  1.0 1.0
   62    70    78    33   0.18800 -1.0 2.0
   62    70    78    33   0.81350  1.0 3.0
   62    70   -78    44   1.99000  1.0 1.0
   62    70   -78    44   0.18800 -1.0 2.0
   62    70   -78    44   0.81350  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    78   0.15000  1.0 3.0
   63    62   -73    52   0.28000  1.0 3.0
   63    62    73    74   0.20000  1.0 3.0
   70    62   -73    52  -0.35450  1.0 1.0
   70    62   -73    52   0.44050 -1.0 2.0
   70    62   -73    52   0.77100  1.0 3.0
   70    62    73    74   0.03200  1.0 1.0
   70    62    73    74   0.33800 -1.0 2.0
   71    70    78    33   0.28000  1.0 3.0
   71    70    78    44   0.10550  1.0 3.0
   72    70    78    33   0.28000  1.0 3.0
   72    70    78    44   0.10550  1.0 3.0
   78    33    37    38   0.90200  1.0 1.0
   78    33    37    38   0.57900 -1.0 2.0
   78    33    37    38  -0.62100  1.0 3.0
   78    33   -37    39   0.52100  1.0 1.0
   78    33   -37    39  -0.20350 -1.0 2.0
   78    33   -37    39   0.29750  1.0 3.0
   78    33    56    48   0.65300  1.0 1.0
   78    33    56    48  -0.03850 -1.0 2.0
   78    33    56    48   0.33900  1.0 3.0
   78    33    56    57   0.30150 -1.0 2.0
   78    44    52    53   0.15000  1.0 3.0
   78    44   -52    62   1.53400  1.0 1.0
   78    44   -52    62  -0.09950 -1.0 2.0
   78    44   -52    62   0.05700  1.0 3.0
   78    44    52    73   2.32150  1.0 1.0
   78    44    54    64  -1.02450  1.0 1.0
   78    44    54    64  -0.46500 -1.0 2.0
   78    44    54    64   0.47400  1.0 3.0
   73    52   -62    63   0.15000  1.0 3.0
   73    52   -62    70   1.53400  1.0 1.0
   73    52   -62    70  -0.09950 -1.0 2.0
   73    52   -62    70   0.05700  1.0 3.0
   73    62    70    71   0.15000  1.0 3.0
   73    62    70    72   0.15000  1.0 3.0
   73    62   -70    78   2.32150  1.0 1.0
   54    44    52    53   0.23400  1.0 3.0
   54    44    52    62  -0.26800  1.0 1.0
   54    44    52    62   0.69150 -1.0 2.0
   54    44    52    62  -0.48750  1.0 3.0
   54    44    52    73   2.01850  1.0 1.0
   54    44    52    73  -0.32950 -1.0 2.0
   54    44    52    73  -0.50350  1.0 3.0
   54    44    78    33   1.00600  1.0 1.0
   54    44    78    33  -1.41450 -1.0 2.0
   54    44    78    33   0.25150  1.0 3.0
   54    44    78    70   1.00600  1.0 1.0
   54    44    78    70  -1.41450 -1.0 2.0
   54    44    78    70   0.25150  1.0 3.0
   45    39    44    52   0.47050  1.0 1.0
   45    39    44    52   0.03900 -1.0 2.0
   45    39    44    52   0.20100  1.0 3.0
   45    39    44    78   1.53400  1.0 1.0
   45    39    44    78  -0.09950 -1.0 2.0
   45    39    44    78   0.05700  1.0 3.0
   45    39    44    54   0.62750  1.0 1.0
   45    39    44    54  -0.30950 -1.0 2.0
   45    39    44    54   0.27300  1.0 3.0
   45    55    68    69   3.00000 -1.0 2.0
   45    55    68    75  -0.80800  1.0 1.0
   45    55    68    75   2.06850 -1.0 2.0
   46    45    55    68   0.08050  1.0 3.0
   47    45    55    68   0.08050  1.0 3.0
   55    68    75    76   2.56700 -1.0 2.0
   55    68    75    77   2.56700 -1.0 2.0
   69    68    75    76   2.45000 -1.0 2.0
   69    68    75    77   2.45000 -1.0 2.0
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
   33    39    37    38   1.10000 -1.0 2.0
   41    42    38    37   1.10000 -1.0 2.0
   38    49    41    48   1.10000 -1.0 2.0
   56    58    48    41   1.10000 -1.0 2.0
   33    48    56    57  10.50000 -1.0 2.0
   51    41    49    50   1.00000 -1.0 2.0
   55    75    68    69  10.50000 -1.0 2.0
   77    68    75    76   1.00000 -1.0 2.0
END
