* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    233     435
    1     0 S   NP   _N1_     1    28.67166    96.17797   -22.24612
    2     1 S   H    _HN1     2     1.02776    96.60732   -83.23371
    3     1 S   H    _H1_     3     1.02961    74.95774    24.03847
    4     1 S   H    _H2_     4     1.02832    39.90082   166.62500
    5     1 S   CT   _CA1     5     1.50139   145.95500   128.23960
    6     5 S   HC   _HA1     6     1.09578   105.19379    84.31956
    7     5 S   CO3  _C1_     7     1.53763   112.43017   -35.79379
    8     7 S   O2Z  _O11     8     1.26357   114.99049   -42.34015
    9     7 S   O2Z  _O12     9     1.26241   114.91794   136.74007
   10     5 S   CT   _CB1    10     1.53087   107.40131  -157.82387
   11    10 S   HC   HB11    11     1.09827   109.21109   -50.98121
   12    10 S   HC   HB12    12     1.09817   110.44904    65.53045
   13    10 S   CT   _CG1    13     1.53019   112.74618  -172.10792
   14    13 S   HC   HG11    14     1.09594   110.45789   -65.93166
   15    13 S   HC   HG12    15     1.09661   109.94360    53.29708
   16    13 S   C    _CD1    16     1.51837   112.31789   173.55314
   17    16 S   O    _OE1    17     1.22725   123.25444    -0.19979
   18    16 S   N    _N2_    18     1.38637   111.67302  -179.77272
   19    18 S   H    _HN2    19     1.01575   119.00680     1.02946
   20    18 S   CT1  _CA2    20     1.46141   123.38919   178.77204
   21    20 S   HC   _HA2    21     1.09736   109.46421    -0.89394
   22    20 S   C    _C2_    22     1.53559   108.54405  -116.54124
   23    22 S   O    _O2_    23     1.23063   122.19509  -144.69288
   24    20 S   CT   _CB2    32     1.53449   111.71916   121.18563
   25    24 S   HC   HB21    33     1.09521   109.55219    55.68839
   26    24 S   HC   HB22    34     1.09251   109.16330   174.21484
   27    22 S   N    _N3_    24     1.38480   113.57169    42.58160
   28    27 S   H    _HN3    25     1.01489   119.02982    -0.25944
   29    24 S   S    _SG2    35     1.83179   111.57204   -64.77206
   30    27 S   CT   _CA3    26     1.45440   123.34821   175.31751
   31    30 S   HC   HA31    27     1.09527   109.21262    25.89063
   32    30 S   HC   HA32    28     1.09497   107.15641   142.86459
   33    29 S   CT   _C12    36     1.92169   102.65858  -166.70649
   34    30 S   CO3  _C3_    29     1.52901   113.00409   -97.56385
   35    34 S   O2Z  _O31    30     1.26406   115.31619   -47.52370
   36    34 S   O2Z  _O32    31     1.26344   115.03533   133.37297
   37    33 S   CO4  _C11    37     1.54733   104.07031   -49.55731
   38    37 S   O    _O34    38     1.23193   123.42283   -69.49346
   39    33 S   CT   _C13    51     1.56442   106.38144    68.96581
   40    39 S   HC   _H11    52     1.09478   110.42369    99.65658
   41    39 S   HC   _H12    53     1.09760   109.37799   -13.08188
   42    33 S   CT   _C16    70     1.59443   105.88596  -169.55980
   43    42 S   OM   _O36    71     1.32161   111.29050   171.88678
   44    37 S   CM   _C10    39     1.48200   119.24996   104.17787
   45    44 S   HC   _H10    40     1.08591   115.47282  -156.64833
   46    42 S   CO4  _C18    72     1.54331   113.11493    57.99141
   47    46 S   O    _O35    73     1.23074   124.29561  -104.72889
   48    46 S   HC   _H19    74     1.10573   116.94366    72.85384
   49    42 S   CT   _C17    75     1.54925   114.98343   -66.56118
   50    49 S   HC   _H16    76     1.09630   113.33630   -67.99200
   51    49 S   HC   _H17    77     1.09995   111.63683   172.46222
   52    49 S   HC   _H18    78     1.09500   111.93203    53.93361
   53    44 S   CM   _C9_    41     1.34324   123.40106    21.05223
   54    53 S   C3T  _C8_    42     1.47990   120.67356  -173.56529
   55    54 S   HC   _H6_    43     1.08624   114.62584    -5.11994
   56    54 S   C3T  _C7_    44     1.50390   115.35993   134.63041
   57    56 S   HC   _H5_    45     1.08104   118.69378  -134.72271
   58    56 S   CT   _C6_    46     1.49903   118.00614    10.86727
   59    58 S   HC   _H4_    47     1.09841   106.50179   -82.28076
   60    54 S   O3T  _O33    69     1.43603   124.99170  -157.84392
   61    58 S   CT   _C5_    48     1.55561   112.67377    37.34719
   62    61 S   HC   _H3_    49     1.10001   105.69170  -170.49988
   63    58 S   OS   _O37    62     1.44152   108.04988   161.21521
   64    53 S   CT   _C14    50     1.53454   121.05353     4.30070
   65    61 S   CT   _C4_    58     1.54343   112.46927    78.94265
   66    65 S   HC   _H7_    59     1.09157   113.32355   -69.59791
   67    65 S   HC   _H8_    60     1.09516   110.65950   169.01280
   68    65 S   HC   _H9_    61     1.09497   111.24021    51.57822
   69    63 S   CO4  _C19    63     1.36302   117.12227   153.71826
   70    69 S   O    _O38    64     1.22309   126.46987     0.24228
   71    64 S   CT   _C15    54     1.54458   106.61723    83.79505
   72    71 S   HC   _H13    55     1.09523   111.47381  -171.84305
   73    71 S   HC   _H14    56     1.09578   111.74109    66.94552
   74    71 S   HC   _H15    57     1.09346   112.30812   -50.70260
   75    69 S   CT   _C20    65     1.49835   109.46706  -179.97202
   76    75 S   HC   _H20    66     1.09290   109.80620   -61.44622
   77    75 S   HC   _H21    67     1.09379   109.36330   179.48756
   78    75 S   HC   _H22    68     1.09290   109.84466    60.46824
  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  12   5   4   3
  20   2   1   1  13   5  18   6   5  10   7   9   3   6   2   1
   3   2   1   1  14  10   5  10   5  14   7   3  12   7   8   8
   4   2   1   1   5   4   3   2   1   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    64    39    40    41    42    43    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    53    61    64    39    40    41    71    42    43    46    47    48    49    50    51    52  
   35    36  
   36  
    0  
   38    44    45    53    54    64    39    40    41    42    43    46    49  
   44    45    53    39    42  
   40    41    71    72    73    74    65    42    43    46    49    44    53    54    58    61    62    64  
   41    71    42    53    61    64  
   71    42    53    61    64  
   43    46    47    48    49    50    51    52    44    64  
   46    47    48    49    50    51    52  
   45    53    54    55    56    61    64    71    60  
   53    54    64  
   47    48    49    50    51    52  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    58    61    62    64    71    72    73    74    65    60  
   55    56    57    58    59    61    64    71    63    60  
   56    57    58    64    60  
   57    58    59    61    62    64    65    63    69    60  
   58    59    61    63    60  
   59    61    62    64    71    65    66    67    68    63    69    70    75    60  
   61    62    64    65    63    69    60  
   61    63    64  
   62    64    71    72    73    74    65    66    67    68    63    69  
   64    71    65    66    67    68    63  
   69    70    75    76    77    78    64    65  
   71    72    73    74    65    66    67    68  
   66    67    68    71  
   67    68  
   68  
    0  
   70    75    76    77    78  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   320.000  1.462
   44    45   340.000  1.080
   44    53   549.000  1.340
   53    54   305.000  1.480
   53    64   317.000  1.510
   54    55   340.000  1.088
   54    56   260.000  1.509
   54    60   335.000  1.432
   56    57   340.000  1.088
   56    58   275.000  1.510
   56    60   335.000  1.432
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   320.000  1.410
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    65   268.000  1.529
   64    39   268.000  1.529
   64    71   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   63    69   214.000  1.327
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   42    43   570.000  1.307
   42    46   317.000  1.522
   42    49   268.000  1.529
   46    47   570.000  1.229
   46    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  118.62400
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    46    63.00000  111.10000
   33    42    49    58.35000  112.70000
   37    44    45    40.00000  117.72500
   37    44    53    65.00000  118.96000
   44    37    38    80.00000  123.72100
   44    53    54    55.00000  125.06700
   44    53    64    70.00000  124.00000
   53    44    45    35.00000  120.00000
   53    54    55    40.00000  112.45000
   53    54    56    60.00000  120.58800
   53    54    60    85.00000  114.23300
   53    64    61    70.00000  112.02700
   53    64    39    70.00000  112.02700
   53    64    71    70.00000  112.02700
   54    56    57    37.50000  117.20000
   54    56    58    60.00000  120.94000
   54    56    60    15.00000   60.43100
   54    60    56    15.00000   59.14900
   56    54    55    37.50000  117.20000
   56    58    59    45.00000  109.38400
   56    58    61    70.00000  112.37300
   56    58    63    50.00000  109.50000
   58    56    57    40.00000  115.04500
   58    61    62    37.50000  110.70000
   58    61    64    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    63    69    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    64    39    58.35000  112.70000
   61    64    71    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   64    53    54    65.00000  117.92700
   64    61    62    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    37.50000  110.70000
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   71    64    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    64    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    61    50.00000  109.50000
   63    69    70    83.00000  123.40000
   63    69    75    81.00000  111.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   75    69    70    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   60    54    55    50.00000  114.27700
   60    54    56    15.00000   60.43100
   60    56    57    50.00000  114.27700
   60    56    58    80.00000  116.47100
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    46    47    80.00000  120.40000
   42    46    48    35.00000  115.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   46    42    43    90.00000  108.74100
   48    46    47    35.00000  123.00000
   49    42    43    50.00000  109.50000
   49    42    46    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   29    33    42    49   0.44750  1.0 1.0
   29    33    42    49  -0.17800 -1.0 2.0
   29    33    42    49   0.20200  1.0 3.0
   33    37    44    45   0.04550  1.0 1.0
   33    37    44    45   0.83000 -1.0 2.0
   33    37    44    45  -0.04000  1.0 3.0
   33    37    44    53  -0.33500  1.0 1.0
   33    37    44    53   1.06600 -1.0 2.0
   33    37    44    53  -0.14000  1.0 3.0
   33    42    46    47   0.30150 -1.0 2.0
   33    42    46    48   0.74550  1.0 1.0
   33    42    46    48  -0.00500 -1.0 2.0
   33    42    49    50   0.15000  1.0 3.0
   33    42    49    51   0.15000  1.0 3.0
   33    42    49    52   0.15000  1.0 3.0
   37    33    39    64  -0.95700  1.0 1.0
   37    33    39    64  -0.18200 -1.0 2.0
   37    33    39    64   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.09450  1.0 1.0
   37    33    42    43  -1.12950 -1.0 2.0
   37    33    42    43   0.54000  1.0 3.0
   37    33    42    46   0.11950  1.0 1.0
   37    33    42    46   0.20300 -1.0 2.0
   37    33    42    46  -0.70800  1.0 3.0
   37    33    42    49  -0.95700  1.0 1.0
   37    33    42    49  -0.18200 -1.0 2.0
   37    33    42    49   0.29450  1.0 3.0
   37    44    53    54   7.00000 -1.0 2.0
   37    44   -53    64   7.00000 -1.0 2.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    53   1.00000 -1.0 2.0
   44    53    54    55   0.00000  1.0 1.0
   44    53    54    56   0.09850  1.0 1.0
   44    53    54    56   0.15250 -1.0 2.0
   44    53    54    56  -0.50650  1.0 3.0
   44    53    54    60   0.39000  1.0 1.0
   44    53    54    60  -0.05800 -1.0 2.0
   44    53    54    60  -0.55150  1.0 3.0
   44    53    64    61   0.09850  1.0 1.0
   44    53    64    61   0.15250 -1.0 2.0
   44    53    64    61  -0.50650  1.0 3.0
   44    53    64    39   0.09850  1.0 1.0
   44    53    64    39   0.15250 -1.0 2.0
   44    53    64    39  -0.50650  1.0 3.0
   44    53    64    71   0.09850  1.0 1.0
   44    53    64    71   0.15250 -1.0 2.0
   44    53    64    71  -0.50650  1.0 3.0
   45    44    53    54   7.00000 -1.0 2.0
   45    44    53    64   7.00000 -1.0 2.0
   53    54    56    57   0.15000  1.0 3.0
   53    54    56    58   0.34400  1.0 1.0
   53    54    56    58   0.09450 -1.0 2.0
   53    54    56    58   0.11100  1.0 3.0
   53    54   -56    60   0.61850  1.0 1.0
   53    54   -56    60  -0.22750 -1.0 2.0
   53    54   -56    60   0.15300  1.0 3.0
   53    54   -60    56  -0.77900  1.0 1.0
   53    54   -60    56  -0.36900 -1.0 2.0
   53    54   -60    56   0.40400  1.0 3.0
   53    64   -39    33   0.34400  1.0 1.0
   53    64   -39    33   0.09450 -1.0 2.0
   53    64   -39    33   0.11100  1.0 3.0
   53    64    39    40   0.15000  1.0 3.0
   53    64    39    41   0.15000  1.0 3.0
   53    64    71    72   0.15000  1.0 3.0
   53    64    71    73   0.15000  1.0 3.0
   53    64    71    74   0.15000  1.0 3.0
   54    53    64    61   0.46850  1.0 1.0
   54    53    64    61   0.08550 -1.0 2.0
   54    53    64    61   0.09800  1.0 3.0
   54    53    64    39   0.46850  1.0 1.0
   54    53    64    39   0.08550 -1.0 2.0
   54    53    64    39   0.09800  1.0 3.0
   54    53    64    71   0.46850  1.0 1.0
   54    53    64    71   0.08550 -1.0 2.0
   54    53    64    71   0.09800  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56   -58    61   0.07850  1.0 1.0
   54    56   -58    61  -0.03950 -1.0 2.0
   54    56   -58    61   0.67350  1.0 3.0
   54    56    58    63  -0.26800  1.0 1.0
   54    56    58    63   0.69150 -1.0 2.0
   54    56    58    63  -0.48750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54   -56    60   0.23400  1.0 3.0
   55    54   -60    56   0.36800  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58    61    64   0.47050  1.0 1.0
   56    58    61    64   0.03900 -1.0 2.0
   56    58    61    64   0.20100  1.0 3.0
   56    58    61    65   0.47050  1.0 1.0
   56    58    61    65   0.03900 -1.0 2.0
   56    58    61    65   0.20100  1.0 3.0
   56    58    63    69  -0.25900  1.0 1.0
   56    58    63    69  -0.47000 -1.0 2.0
   56    58    63    69   0.11750  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    58    63   0.23400  1.0 3.0
   57    56   -60    54   0.36800  1.0 3.0
   58    56   -60    54   0.06250  1.0 1.0
   58    56   -60    54  -0.01100 -1.0 2.0
   58    56   -60    54   0.28050  1.0 3.0
   58    61   -64    53   0.34400  1.0 1.0
   58    61   -64    53   0.09450 -1.0 2.0
   58    61   -64    53   0.11100  1.0 3.0
   58    61    64    39   0.56750  1.0 1.0
   58    61    64    39  -0.07550 -1.0 2.0
   58    61    64    39   0.20000  1.0 3.0
   58    61    64    71   0.56750  1.0 1.0
   58    61    64    71  -0.07550 -1.0 2.0
   58    61    64    71   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    63    69    70   3.00000 -1.0 2.0
   58    63    69    75   1.63150  1.0 1.0
   58    63    69    75   2.92000 -1.0 2.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    63    69   0.08050  1.0 3.0
   61    58    63    69  -0.25900  1.0 1.0
   61    58    63    69  -0.47000 -1.0 2.0
   61    58    63    69   0.11750  1.0 3.0
   61    64    39    33   0.56750  1.0 1.0
   61    64    39    33  -0.07550 -1.0 2.0
   61    64    39    33   0.20000  1.0 3.0
   61    64    39    40   0.15000  1.0 3.0
   61    64    39    41   0.15000  1.0 3.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    74   0.15000  1.0 3.0
   62    61    64    53   0.15000  1.0 3.0
   62    61    64    39   0.15000  1.0 3.0
   62    61    64    71   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   64    53    54    55   0.34800  1.0 3.0
   64    53   -54    56   0.46850  1.0 1.0
   64    53   -54    56   0.08550 -1.0 2.0
   64    53   -54    56   0.09800  1.0 3.0
   64    53    54    60   0.09700  1.0 1.0
   64    53    54    60   0.15600 -1.0 2.0
   64    53    54    60  -0.50800  1.0 3.0
   64    61    65    66   0.15000  1.0 3.0
   64    61    65    67   0.15000  1.0 3.0
   64    61    65    68   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.65300  1.0 1.0
   39    33   -37    44  -0.03850 -1.0 2.0
   39    33   -37    44   0.33900  1.0 3.0
   39    33    42    43   0.62750  1.0 1.0
   39    33    42    43  -0.30950 -1.0 2.0
   39    33    42    43   0.27300  1.0 3.0
   39    33    42    46  -0.95700  1.0 1.0
   39    33    42    46  -0.18200 -1.0 2.0
   39    33    42    46   0.29450  1.0 3.0
   39    33    42    49   0.56750  1.0 1.0
   39    33    42    49  -0.07550 -1.0 2.0
   39    33    42    49   0.20000  1.0 3.0
   39    64    71    72   0.15000  1.0 3.0
   39    64    71    73   0.15000  1.0 3.0
   39    64    71    74   0.15000  1.0 3.0
   71    64    39    33   0.56750  1.0 1.0
   71    64    39    33  -0.07550 -1.0 2.0
   71    64    39    33   0.20000  1.0 3.0
   71    64    39    40   0.15000  1.0 3.0
   71    64    39    41   0.15000  1.0 3.0
   65    61    64    53   0.34400  1.0 1.0
   65    61    64    53   0.09450 -1.0 2.0
   65    61    64    53   0.11100  1.0 3.0
   65    61    64    39   0.56750  1.0 1.0
   65    61    64    39  -0.07550 -1.0 2.0
   65    61    64    39   0.20000  1.0 3.0
   65    61    64    71   0.56750  1.0 1.0
   65    61    64    71  -0.07550 -1.0 2.0
   65    61    64    71   0.20000  1.0 3.0
   63    58    61    62   0.23400  1.0 3.0
   63    58    61    64   0.62750  1.0 1.0
   63    58    61    64  -0.30950 -1.0 2.0
   63    58    61    64   0.27300  1.0 3.0
   63    58    61    65   0.62750  1.0 1.0
   63    58    61    65  -0.30950 -1.0 2.0
   63    58    61    65   0.27300  1.0 3.0
   63    69    75    76   0.00000  1.0 1.0
   63    69    75    77   0.00000  1.0 1.0
   63    69    75    78   0.00000  1.0 1.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.00000  1.0 1.0
   70    69    75    78   0.00000  1.0 1.0
   60    54   -56    57   0.23400  1.0 3.0
   60    54   -56    58   0.02550  1.0 1.0
   60    54   -56    58  -0.02600 -1.0 2.0
   60    54   -56    58   1.20400  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    61   0.02550  1.0 1.0
   60    56    58    61  -0.02600 -1.0 2.0
   60    56    58    61   1.20400  1.0 3.0
   60    56    58    63   1.11900  1.0 1.0
   60    56    58    63  -1.16350 -1.0 2.0
   60    56    58    63  -0.34150  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    64   0.56750  1.0 1.0
   42    33    39    64  -0.07550 -1.0 2.0
   42    33    39    64   0.20000  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   43    42    46    47   0.30150 -1.0 2.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    49    50   0.23400  1.0 3.0
   43    42    49    51   0.23400  1.0 3.0
   43    42    49    52   0.23400  1.0 3.0
   46    42    49    50  -0.11250  1.0 3.0
   46    42    49    51  -0.11250  1.0 3.0
   46    42    49    52  -0.11250  1.0 3.0
   49    42    46    47   0.30150 -1.0 2.0
   49    42    46    48   0.74550  1.0 1.0
   49    42    46    48  -0.00500 -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    44    37    38  10.50000 -1.0 2.0
   37    45    44    53   1.10000 -1.0 2.0
   54    64    53    44   1.10000 -1.0 2.0
   63    75    69    70  10.50000 -1.0 2.0
   42    48    46    47  10.50000 -1.0 2.0
END
