* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    250     471
    1     0 S   NP   _N1_     1    27.86949    94.61729   -23.23459
    2     1 S   H    _HN1     2     1.02951    92.49731   -12.23535
    3     1 S   H    _H1_     3     1.02847    22.44955   119.81474
    4     1 S   H    _H2_     4     1.02790    97.50453  -120.95487
    5     1 S   CT   _CA1     5     1.50043   132.94322   109.20204
    6     5 S   HC   _HA1     6     1.09579   105.34697    64.08743
    7     5 S   CO3  _C1_     7     1.53758   112.05496   -56.18015
    8     7 S   O2Z  _O11     8     1.26384   115.11431   -56.97072
    9     7 S   O2Z  _O12     9     1.26211   114.98495   122.48661
   10     5 S   CT   _CB1    10     1.53100   107.43650  -178.15591
   11    10 S   HC   HB11    11     1.09826   109.52109   -51.98982
   12    10 S   HC   HB12    12     1.09817   110.45079    64.56114
   13    10 S   CT   _CG1    13     1.52991   112.44982  -173.00849
   14    13 S   HC   HG11    14     1.09615   110.55539   -59.80817
   15    13 S   HC   HG12    15     1.09640   109.96268    59.39957
   16    13 S   C    _CD1    16     1.51746   112.18136   179.97202
   17    16 S   O    _OE1    17     1.22748   123.30643    -1.09343
   18    16 S   N    _N2_    18     1.38527   111.70256   178.55382
   19    18 S   H    _HN2    19     1.01557   119.12609     5.79738
   20    18 S   CT1  _CA2    20     1.45741   122.76895  -179.90935
   21    20 S   HC   _HA2    21     1.09737   108.83398    23.09516
   22    20 S   C    _C2_    22     1.52886   107.28235   -94.02161
   23    22 S   O    _O2_    23     1.22962   123.06545   -26.06600
   24    20 S   CT   _CB2    32     1.53181   112.22453   145.81228
   25    24 S   HC   HB21    33     1.09542   110.19083    57.29329
   26    24 S   HC   HB22    34     1.09522   109.93576   176.21090
   27    22 S   N    _N3_    24     1.38490   112.50176   156.66101
   28    27 S   H    _HN3    25     1.01645   120.35858    -2.30673
   29    24 S   S    _SG2    35     1.82777   111.18600   -63.41847
   30    27 S   CT   _CA3    26     1.45358   122.55561   178.53955
   31    30 S   HC   HA31    27     1.09563   107.87285   -54.97102
   32    30 S   HC   HA32    28     1.09560   107.57310    61.39676
   33    29 S   CT   _C10    36     1.83603    99.72144  -168.15109
   34    33 S   HC   _H7_    37     1.09724   105.23158    55.16824
   35    30 S   CO3  _C3_    29     1.52907   114.24234  -176.84998
   36    35 S   O2Z  _O31    30     1.26351   116.02884     1.65256
   37    35 S   O2Z  _O32    31     1.26431   114.43103  -178.40529
   38    33 S   CT   _C9_    38     1.54469   111.28166   -63.84665
   39    38 S   HC   _H6_    39     1.09688   111.84853   -17.49252
   40    33 S   CT   _C11    51     1.56008   115.75180   175.64302
   41    38 S   CT   _C8_    40     1.53412   105.87228  -137.71600
   42    41 S   HC   _H5_    41     1.09818   110.46701   -84.43018
   43    40 S   CT   _C12    52     1.53394   117.07513   -22.69967
   44    43 S   HC   _H15    53     1.09323   112.53281    63.24874
   45    43 S   HC   _H16    54     1.09561   110.60784   -58.32212
   46    40 S   OH   _O35    57     1.45195   105.20580  -140.08336
   47    46 S   HO   _H18    58     0.97271   108.03286    73.44714
   48    38 S   OH   _O36    82     1.42313   111.04907   102.00468
   49    48 S   HO   _H19    83     0.97267   108.18857    59.80699
   50    41 S   CM   _C4_    42     1.49400   112.40206   154.99354
   51    50 S   HC   _H13    43     1.08552   118.67950    76.06238
   52    43 S   OH   _O34    55     1.42551   110.01677  -176.10303
   53    52 S   HO   _H17    56     0.97222   107.09593  -175.89468
   54    50 S   CM   _C5_    44     1.33548   121.32211  -106.34764
   55    54 S   HC   _H14    45     1.08105   123.32033  -175.54697
   56    54 S   OS   _O33    46     1.36495   125.68895     3.16891
   57    56 S   CO   _C6_    47     1.44159   115.83944    14.60405
   58    57 S   HC   _H3_    48     1.09693   108.18614    77.85366
   59    41 S   CT   _C7_    49     1.54012   103.85750    33.35983
   60    59 S   HC   _H4_    50     1.09966   108.72091  -157.82615
   61    57 S   OS1  _O37    59     1.43107   109.22651  -163.53379
   62    61 S   CO1  _C13    60     1.43241   113.59888   -67.26944
   63    62 S   HC   _H8_    61     1.09767   108.78278    52.26914
   64    62 S   CT   _C14    62     1.53417   107.13733   171.05923
   65    64 S   HC   _H9_    63     1.09689   109.98750    53.47605
   66    64 S   CT   _C15    64     1.53036   111.18100   175.47411
   67    66 S   HC   _H10    65     1.09666   110.28044    73.27204
   68    64 S   OH5  _O42    80     1.42962   110.02446   -63.29560
   69    68 S   HO   _H25    81     0.97223   108.19566   -59.43645
   70    66 S   CT   _C16    66     1.53151   111.21911   -49.41277
   71    70 S   HC   _H11    67     1.09649   108.65523   -71.71744
   72    66 S   OH5  _O41    78     1.42964   109.60643  -170.84738
   73    72 S   HO   _H24    79     0.97245   108.07004    61.92508
   74    70 S   CT   _C17    68     1.53471   110.56502    49.84322
   75    74 S   HC   _H12    69     1.09842   110.20256    63.76692
   76    70 S   OH5  _O40    76     1.42629   109.62335   171.64593
   77    76 S   HO   _H23    77     0.97227   108.23590   -59.35960
   78    62 S   OS1  _O38    70     1.42962   111.07238   -68.89374
   79    74 S   CT   _C18    71     1.53105   112.74039  -176.90004
   80    79 S   HC   _H20    72     1.09478   110.42641   -65.89459
   81    79 S   HC   _H21    73     1.09482   110.52768   173.43750
   82    79 S   OH5  _O39    74     1.42299   110.81636    54.25563
   83    82 S   HO   _H22    75     0.97565   106.56209  -167.77435
  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
  18   8   2   1   1  14   7  17  15   7   9   5   4   5   1   3
   1   7   4   2   1   6   2   6   8   4   3   1   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    59    40    43    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    57    59    60    40    43    44    45    52    46    47    48    49  
   38    39    41    59    40    43    46    48  
   36    37  
   37  
    0  
   39    41    42    50    51    54    57    59    60    40    43    46    48    49  
   41    42    50    59    40    48    49  
   43    44    45    52    53    46    47    61    48    41    42    50    56    57    58    59    60  
   42    50    51    54    55    56    57    58    59    60    43    46    61    48    49  
   50    51    54    57    59    60    48  
   44    45    52    53    46    47    57    59    60  
   45    52    53    46    59  
   52    53    46    59  
   47    52    57    59    60  
   59  
   49    50    59  
    0  
   51    54    55    56    57    59    60  
   54    55    56    59  
   53    59  
    0  
   55    56    57    58    59    61  
   56    57  
   57    58    59    60    61    62  
   58    59    60    61    62    63    64    78  
   59    60    61    62  
   60    61    62  
   61  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    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  
   81    82    83  
   82    83  
   83  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   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   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    48   320.000  1.410
   41    42   340.000  1.090
   41    50   317.000  1.510
   41    59   268.000  1.529
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    56   440.000  1.360
   56    57   320.000  1.380
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   320.000  1.380
   59    60   340.000  1.090
   59    40   268.000  1.529
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   320.000  1.410
   52    53   553.000  0.945
   46    47   553.000  0.945
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   48    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    59    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    50    70.00000  112.02700
   38    41    59    58.35000  112.70000
   38    48    49    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    50    51    35.00000  117.00000
   41    50    54    70.00000  124.00000
   41    59    57    75.00000  109.43000
   41    59    60    37.50000  110.70000
   41    59    40    58.35000  112.70000
   50    41    42    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    56    80.00000  120.01400
   54    50    51    35.00000  120.00000
   54    56    57    85.00000  113.97000
   56    54    55    55.00000  109.52600
   56    57    58    35.00000  109.50000
   56    57    59    90.00000  108.56700
   56    57    61    92.60000  111.55000
   57    59    60    45.00000  108.72000
   57    59    40    75.00000  109.43000
   57    61    62    90.00000  112.10700
   59    41    42    37.50000  110.70000
   59    41    50    70.00000  112.02700
   59    57    58    45.00000  112.01100
   59    40    43    58.35000  112.70000
   59    40    46    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    59    60    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    52    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    52    53    55.00000  108.50000
   45    43    44    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    90.00000  108.56700
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   48    38    39    35.00000  109.50000
   48    38    41    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    59   0.44750  1.0 1.0
   29    33    40    59  -0.17800 -1.0 2.0
   29    33    40    59   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    50   0.34400  1.0 1.0
   33    38    41    50   0.09450 -1.0 2.0
   33    38    41    50   0.11100  1.0 3.0
   33    38   -41    59   0.56750  1.0 1.0
   33    38   -41    59  -0.07550 -1.0 2.0
   33    38   -41    59   0.20000  1.0 3.0
   33    38    48    49  -0.11600  1.0 1.0
   33    38    48    49  -0.09450 -1.0 2.0
   33    38    48    49   0.21250  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    52   0.86500  1.0 1.0
   33    40    43    52  -0.17500 -1.0 2.0
   33    40    43    52   0.20800  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    59   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33   -40    59   0.56750  1.0 1.0
   38    33   -40    59  -0.07550 -1.0 2.0
   38    33   -40    59   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    50    51   0.00000  1.0 1.0
   38    41    50    54   0.09850  1.0 1.0
   38    41    50    54   0.15250 -1.0 2.0
   38    41    50    54  -0.50650  1.0 3.0
   38    41    59    57   3.97050  1.0 1.0
   38    41    59    60   0.15000  1.0 3.0
   38    41   -59    40   0.56750  1.0 1.0
   38    41   -59    40  -0.07550 -1.0 2.0
   38    41   -59    40   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    41    59   0.15000  1.0 3.0
   39    38    48    49   0.19450  1.0 3.0
   41    38    48    49  -0.11600  1.0 1.0
   41    38    48    49  -0.09450 -1.0 2.0
   41    38    48    49   0.21250  1.0 3.0
   41    50    54    55   7.00000 -1.0 2.0
   41    50    54    56   7.00000 -1.0 2.0
   41    59   -40    33   0.56750  1.0 1.0
   41    59   -40    33  -0.07550 -1.0 2.0
   41    59   -40    33   0.20000  1.0 3.0
   41    59    40    43   0.56750  1.0 1.0
   41    59    40    43  -0.07550 -1.0 2.0
   41    59    40    43   0.20000  1.0 3.0
   41    59    40    46   0.86500  1.0 1.0
   41    59    40    46  -0.17500 -1.0 2.0
   41    59    40    46   0.20800  1.0 3.0
   42    41    50    51   0.33100  1.0 3.0
   42    41    50    54   0.00000  1.0 1.0
   42    41    59    57   0.15000  1.0 3.0
   42    41    59    60   0.15000  1.0 3.0
   42    41    59    40   0.15000  1.0 3.0
   50    41    59    57   0.34400  1.0 1.0
   50    41    59    57   0.09450 -1.0 2.0
   50    41    59    57   0.11100  1.0 3.0
   50    41    59    60   0.15000  1.0 3.0
   50    41    59    40   0.34400  1.0 1.0
   50    41    59    40   0.09450 -1.0 2.0
   50    41    59    40   0.11100  1.0 3.0
   50    54   -56    57  -2.26850  1.0 1.0
   50    54   -56    57   3.39050 -1.0 2.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    56    57    58   0.08050  1.0 3.0
   54    56    57    59  -0.46850  1.0 1.0
   54    56    57    59   0.09300 -1.0 2.0
   54    56    57    59  -0.12850  1.0 3.0
   54    56    57    61  -0.48150  1.0 1.0
   54    56    57    61   0.09250 -1.0 2.0
   54    56    57    61  -0.12850  1.0 3.0
   55    54    56    57   0.50000 -1.0 2.0
   56    57   -59    41   0.62750  1.0 1.0
   56    57   -59    41  -0.30950 -1.0 2.0
   56    57   -59    41   0.27300  1.0 3.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    40   0.62750  1.0 1.0
   56    57    59    40  -0.30950 -1.0 2.0
   56    57    59    40   0.27300  1.0 3.0
   56    57    61    62  -0.53350  1.0 1.0
   56    57    61    62  -0.78350 -1.0 2.0
   56    57    61    62   0.33750  1.0 3.0
   57    59    40    33   3.97050  1.0 1.0
   57    59    40    43   3.97050  1.0 1.0
   57    59    40    46   0.86500  1.0 1.0
   57    59    40    46  -0.17500 -1.0 2.0
   57    59    40    46   0.20800  1.0 3.0
   57    61    62    63   0.37050  1.0 3.0
   57    61    62    64   0.06250  1.0 1.0
   57    61    62    64  -0.01100 -1.0 2.0
   57    61    62    64   0.28050  1.0 3.0
   57    61    62    78  -0.12700  1.0 1.0
   57    61    62    78  -1.16200 -1.0 2.0
   57    61    62    78   0.58800  1.0 3.0
   58    57    59    41   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    40   0.15000  1.0 3.0
   58    57    61    62   0.37050  1.0 3.0
   59    41    50    51   0.00000  1.0 1.0
   59    41   -50    54   0.09850  1.0 1.0
   59    41   -50    54   0.15250 -1.0 2.0
   59    41   -50    54  -0.50650  1.0 3.0
   59    57    61    62   0.06250  1.0 1.0
   59    57    61    62  -0.01100 -1.0 2.0
   59    57    61    62   0.28050  1.0 3.0
   59    40    43    44   0.15000  1.0 3.0
   59    40    43    45   0.15000  1.0 3.0
   59    40    43    52   0.86500  1.0 1.0
   59    40    43    52  -0.17500 -1.0 2.0
   59    40    43    52   0.20800  1.0 3.0
   59    40    46    47  -0.11600  1.0 1.0
   59    40    46    47  -0.09450 -1.0 2.0
   59    40    46    47   0.21250  1.0 3.0
   60    59    40    33   0.15000  1.0 3.0
   60    59    40    43   0.15000  1.0 3.0
   60    59    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    48   0.86500  1.0 1.0
   40    33    38    48  -0.17500 -1.0 2.0
   40    33    38    48   0.20800  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   45    43    52    53   0.19450  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    45   0.23400  1.0 3.0
   46    40    43    52   3.75450  1.0 1.0
   61    57    59    41   0.62750  1.0 1.0
   61    57    59    41  -0.30950 -1.0 2.0
   61    57    59    41   0.27300  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    40   0.62750  1.0 1.0
   61    57    59    40  -0.30950 -1.0 2.0
   61    57    59    40   0.27300  1.0 3.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   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  -0.47750  1.0 1.0
   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   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   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    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   48    38    41    42   0.23400  1.0 3.0
   48    38    41    50   1.05650  1.0 1.0
   48    38    41    50   0.15600 -1.0 2.0
   48    38    41    50   0.53150  1.0 3.0
   48    38    41    59   0.86500  1.0 1.0
   48    38    41    59  -0.17500 -1.0 2.0
   48    38    41    59   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    51    50    54   1.10000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
END
