* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    159    252     477
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065   104.46709   -34.53548
    3     1 S   H    _H1_     3     1.02077    68.49049    70.21799
    4     1 S   H    _H2_     4     1.02088    44.47557  -136.58393
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C19    36     1.80816    98.61696   161.80662
   34    33 S   HC   _H22    37     1.09338   109.23460    40.73775
   35    33 S   HC   _H23    38     1.09290   109.41035   158.96365
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C17    39     1.48933   110.03052   -79.94175
   40    39 S   CM   _C18    40     1.33479   129.09814   120.37111
   41    40 S   OS   _O36    41     1.38460   115.29777  -177.19621
   42    40 S   OH   _O37    82     1.37153   125.91628     1.98584
   43    42 S   HO   _H21    83     0.96559   110.49202   180.00000
   44    41 S   CT   _C11    42     1.45424   105.86221    -4.75135
   45    44 S   HC   _H4_    43     1.09869   104.07835   120.26530
   46    39 S   CT   _C12    44     1.49965   121.78463   -56.31126
   47    46 S   HC   _H5_    45     1.10016   106.86643    69.57505
   48    44 S   CT   _C10    63     1.55754   108.69049  -124.69613
   49    46 S   CT   _C13    46     1.53111   113.39894   -47.71486
   50    49 S   HC   _H14    47     1.09980   106.88559    63.49739
   51    49 S   HC   _H15    48     1.09284   112.29979   -50.15779
   52    48 S   CT   _C20    64     1.54900   110.63669    55.80514
   53    52 S   HC   _H24    65     1.08186   108.73163   179.98022
   54    52 S   HC   _H25    66     1.08179   108.73524    59.98714
   55    52 S   HC   _H26    67     1.08134   108.75900   -60.02622
   56    49 S   CT   _C14    49     1.52346   115.02342  -179.00436
   57    56 S   HC   _H16    50     1.09930   107.53960  -154.92422
   58    56 S   HC   _H17    51     1.09655   109.75193   -41.57260
   59    56 S   CT   _C15    52     1.54136   116.04276    84.72354
   60    59 S   HC   _H6_    53     1.10172   104.04740  -178.96978
   61    59 S   CT   _C9_    54     1.54847   113.75289   -64.66426
   62    59 S   CT   _C16    77     1.53417   110.76350    69.33574
   63    62 S   HC   _H18    78     1.08721   109.54948   -60.00158
   64    62 S   HC   _H19    79     1.08691   109.51312   179.08807
   65    61 S   CT   _C8_    55     1.54373   113.41098  -178.76949
   66    65 S   HC   _H12    56     1.09645   112.24490    74.31165
   67    65 S   HC   _H13    57     1.09441   112.66488   -47.37639
   68    61 S   OH   _O38    75     1.44991   105.85680   -65.70576
   69    68 S   HO   _H27    76     0.96309   105.19837   -59.68779
   70    62 S   OH   _O35    80     1.41241   108.21488    59.53518
   71    70 S   HO   _H20    81     0.97388   107.22346   179.97202
   72    65 S   CT   _C7_    58     1.53167   105.80873  -165.25748
   73    72 S   HC   _H10    59     1.09513   110.79947   130.00509
   74    72 S   HC   _H11    60     1.09578   110.92041  -111.64086
   75    72 S   CT   _C6_    61     1.53002   106.17360     8.05844
   76    75 S   HC   _H3_    62     1.09802   108.81024   -98.48548
   77    75 S   OS   _O34    68     1.41731   110.99712   144.00066
   78    77 S   CO4  _C5_    69     1.36928   116.00464    88.56548
   79    78 S   O    _O33    70     1.22393   125.82993     0.00000
   80    78 S   CT   _C4_    71     1.49883   110.06784  -180.00000
   81    80 S   HC   _H7_    72     1.09251   109.83858   -90.00512
   82    80 S   HC   _H8_    73     1.09302   109.80165   148.06924
   83    80 S   HC   _H9_    74     1.09379   109.33467    29.10247
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  20   7  12   5  22
   9   5   4  11   4   3   2  11   5   4  14   7  15   6   3   2
  10   6   5   3   1   1   1   6   4   3   5   2   6   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    49    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    49    50    51    56    48    42    43  
   41    44    45    46    47    49    48    42    43  
   44    45    46    47    49    61    75    48    52    42    43  
   43    44    46  
    0  
   45    46    47    49    50    51    56    59    61    65    72    75    76    48    52    53    54    55    77    68  
   46    47    49    61    75    48    52  
   47    49    50    51    56    57    58    59    61    75    48    52  
   49    50    51    56    48  
   52    53    54    55    77    78    68    69    62    49    56    59    60    61    65    66    67    72    73    74    75    76  
   50    51    56    57    58    59    60    61    62  
   51    56    57    58    59  
   56    57    58    59  
   53    54    55    77    68    59    61    65    72    75    76  
   54    55    61    75  
   55    61    75  
   61    75  
   57    58    59    60    61    65    68    62    63    64    70  
   58    59    60    61    62  
   59    60    61    62  
   60    61    65    66    67    72    75    68    69    62    63    64    70    71  
   61    65    68    62    63    64    70  
   65    66    67    72    73    74    75    76    77    68    69    62    63    64    70  
   63    64    70    71    65    68  
   64    70    71  
   70    71  
   66    67    72    73    74    75    76    77    68    69  
   67    72    73    74    75    68  
   72    73    74    75    68  
   69    72    75  
    0  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80  
   77    78  
   78    79    80    81    82    83  
   79    80    81    82    83  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   268.000  1.529
   61    65   268.000  1.529
   61    48   268.000  1.529
   61    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    48   268.000  1.529
   75    77   320.000  1.410
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   77    78   214.000  1.327
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   320.000  1.410
   70    71   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    49    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    61    58.35000  112.70000
   44    48    75    58.35000  112.70000
   44    48    52    58.35000  112.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    48    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    70    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    72    58.35000  112.70000
   61    48    75    58.35000  112.70000
   61    48    52    58.35000  112.70000
   61    68    69    55.00000  108.50000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    48    58.35000  112.70000
   72    75    77    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    48    52    58.35000  112.70000
   75    77    78    83.00000  116.90000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    61    65    58.35000  112.70000
   48    75    76    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   77    75    76    35.00000  109.50000
   77    75    48    50.00000  109.50000
   77    78    79    83.00000  123.40000
   77    78    80    81.00000  111.40000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   68    61    65    50.00000  109.50000
   68    61    48    50.00000  109.50000
   62    59    60    37.50000  110.70000
   62    59    61    58.35000  112.70000
   62    70    71    55.00000  108.50000
   64    62    63    33.00000  107.80000
   70    62    63    35.00000  109.50000
   70    62    64    35.00000  109.50000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    49   0.46850  1.0 1.0
   33    39    46    49   0.08550 -1.0 2.0
   33    39    46    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    51   0.15000  1.0 3.0
   39    46    49    56   0.34400  1.0 1.0
   39    46    49    56   0.09450 -1.0 2.0
   39    46    49    56   0.11100  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    49   0.09850  1.0 1.0
   40    39    46    49   0.15250 -1.0 2.0
   40    39    46    49  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    49   0.62750  1.0 1.0
   41    44    46    49  -0.30950 -1.0 2.0
   41    44    46    49   0.27300  1.0 3.0
   41    44    48    61   0.62750  1.0 1.0
   41    44    48    61  -0.30950 -1.0 2.0
   41    44    48    61   0.27300  1.0 3.0
   41    44    48    75   0.62750  1.0 1.0
   41    44    48    75  -0.30950 -1.0 2.0
   41    44    48    75   0.27300  1.0 3.0
   41    44    48    52   0.62750  1.0 1.0
   41    44    48    52  -0.30950 -1.0 2.0
   41    44    48    52   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   0.15000  1.0 3.0
   44    46    49    56   0.56750  1.0 1.0
   44    46    49    56  -0.07550 -1.0 2.0
   44    46    49    56   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    48    75   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    61   0.56750  1.0 1.0
   46    44    48    61  -0.07550 -1.0 2.0
   46    44    48    61   0.20000  1.0 3.0
   46    44    48    75   0.56750  1.0 1.0
   46    44    48    75  -0.07550 -1.0 2.0
   46    44    48    75   0.20000  1.0 3.0
   46    44    48    52   0.56750  1.0 1.0
   46    44    48    52  -0.07550 -1.0 2.0
   46    44    48    52   0.20000  1.0 3.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.56750  1.0 1.0
   46    49    56    59  -0.07550 -1.0 2.0
   46    49    56    59   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56   0.15000  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    62   0.56750  1.0 1.0
   49    56    59    62  -0.07550 -1.0 2.0
   49    56    59    62   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    65   0.56750  1.0 1.0
   56    59    61    65  -0.07550 -1.0 2.0
   56    59    61    65   0.20000  1.0 3.0
   56    59    61    48   0.56750  1.0 1.0
   56    59    61    48  -0.07550 -1.0 2.0
   56    59    61    48   0.20000  1.0 3.0
   56    59    61    68   0.86500  1.0 1.0
   56    59    61    68  -0.17500 -1.0 2.0
   56    59    61    68   0.20800  1.0 3.0
   56    59    62    63   0.15000  1.0 3.0
   56    59    62    64   0.15000  1.0 3.0
   56    59    62    70   0.86500  1.0 1.0
   56    59    62    70  -0.17500 -1.0 2.0
   56    59    62    70   0.20800  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    67   0.15000  1.0 3.0
   59    61    65    72   0.56750  1.0 1.0
   59    61    65    72  -0.07550 -1.0 2.0
   59    61    65    72   0.20000  1.0 3.0
   59    61    48    44   0.56750  1.0 1.0
   59    61    48    44  -0.07550 -1.0 2.0
   59    61    48    44   0.20000  1.0 3.0
   59    61    48    75   0.56750  1.0 1.0
   59    61    48    75  -0.07550 -1.0 2.0
   59    61    48    75   0.20000  1.0 3.0
   59    61    48    52   0.56750  1.0 1.0
   59    61    48    52  -0.07550 -1.0 2.0
   59    61    48    52   0.20000  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   59    62    70    71  -0.11600  1.0 1.0
   59    62    70    71  -0.09450 -1.0 2.0
   59    62    70    71   0.21250  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    48   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    70   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    70   0.86500  1.0 1.0
   61    59    62    70  -0.17500 -1.0 2.0
   61    59    62    70   0.20800  1.0 3.0
   61    65    72    73   0.15000  1.0 3.0
   61    65    72    74   0.15000  1.0 3.0
   61    65   -72    75   0.56750  1.0 1.0
   61    65   -72    75  -0.07550 -1.0 2.0
   61    65   -72    75   0.20000  1.0 3.0
   61    48    52    53   0.15000  1.0 3.0
   61    48    52    54   0.15000  1.0 3.0
   61    48    52    55   0.15000  1.0 3.0
   65    61    48    44   0.56750  1.0 1.0
   65    61    48    44  -0.07550 -1.0 2.0
   65    61    48    44   0.20000  1.0 3.0
   65    61   -48    75   0.56750  1.0 1.0
   65    61   -48    75  -0.07550 -1.0 2.0
   65    61   -48    75   0.20000  1.0 3.0
   65    61    48    52   0.56750  1.0 1.0
   65    61    48    52  -0.07550 -1.0 2.0
   65    61    48    52   0.20000  1.0 3.0
   65    61    68    69  -0.11600  1.0 1.0
   65    61    68    69  -0.09450 -1.0 2.0
   65    61    68    69   0.21250  1.0 3.0
   65    72    75    76   0.15000  1.0 3.0
   65    72   -75    48   0.56750  1.0 1.0
   65    72   -75    48  -0.07550 -1.0 2.0
   65    72   -75    48   0.20000  1.0 3.0
   65    72    75    77   0.62750  1.0 1.0
   65    72    75    77  -0.30950 -1.0 2.0
   65    72    75    77   0.27300  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    75   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    75   0.15000  1.0 3.0
   72    75    48    44   0.56750  1.0 1.0
   72    75    48    44  -0.07550 -1.0 2.0
   72    75    48    44   0.20000  1.0 3.0
   72    75   -48    61   0.56750  1.0 1.0
   72    75   -48    61  -0.07550 -1.0 2.0
   72    75   -48    61   0.20000  1.0 3.0
   72    75    48    52   0.56750  1.0 1.0
   72    75    48    52  -0.07550 -1.0 2.0
   72    75    48    52   0.20000  1.0 3.0
   72    75    77    78  -0.25900  1.0 1.0
   72    75    77    78  -0.47000 -1.0 2.0
   72    75    77    78   0.11750  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    48   0.15000  1.0 3.0
   73    72    75    77   0.23400  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    48   0.15000  1.0 3.0
   74    72    75    77   0.23400  1.0 3.0
   75    48    52    53   0.15000  1.0 3.0
   75    48    52    54   0.15000  1.0 3.0
   75    48    52    55   0.15000  1.0 3.0
   75    77    78    79   3.00000 -1.0 2.0
   75    77    78    80   1.63150  1.0 1.0
   75    77    78    80   2.92000 -1.0 2.0
   76    75    48    44   0.15000  1.0 3.0
   76    75    48    61   0.15000  1.0 3.0
   76    75    48    52   0.15000  1.0 3.0
   76    75    77    78   0.08050  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    61    65    66   0.15000  1.0 3.0
   48    61    65    67   0.15000  1.0 3.0
   48    61   -65    72   0.56750  1.0 1.0
   48    61   -65    72  -0.07550 -1.0 2.0
   48    61   -65    72   0.20000  1.0 3.0
   48    61    68    69  -0.11600  1.0 1.0
   48    61    68    69  -0.09450 -1.0 2.0
   48    61    68    69   0.21250  1.0 3.0
   48    75    77    78  -0.25900  1.0 1.0
   48    75    77    78  -0.47000 -1.0 2.0
   48    75    77    78   0.11750  1.0 3.0
   77    75    48    44   0.62750  1.0 1.0
   77    75    48    44  -0.30950 -1.0 2.0
   77    75    48    44   0.27300  1.0 3.0
   77    75    48    61   0.62750  1.0 1.0
   77    75    48    61  -0.30950 -1.0 2.0
   77    75    48    61   0.27300  1.0 3.0
   77    75    48    52   0.62750  1.0 1.0
   77    75    48    52  -0.30950 -1.0 2.0
   77    75    48    52   0.27300  1.0 3.0
   77    78    80    81   0.00000  1.0 1.0
   77    78    80    82   0.00000  1.0 1.0
   77    78    80    83   0.00000  1.0 1.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.00000  1.0 1.0
   68    61    65    66   0.23400  1.0 3.0
   68    61    65    67   0.23400  1.0 3.0
   68    61    65    72   0.86500  1.0 1.0
   68    61    65    72  -0.17500 -1.0 2.0
   68    61    65    72   0.20800  1.0 3.0
   68    61    48    44   0.86500  1.0 1.0
   68    61    48    44  -0.17500 -1.0 2.0
   68    61    48    44   0.20800  1.0 3.0
   68    61    48    75   0.86500  1.0 1.0
   68    61    48    75  -0.17500 -1.0 2.0
   68    61    48    75   0.20800  1.0 3.0
   68    61    48    52   0.86500  1.0 1.0
   68    61    48    52  -0.17500 -1.0 2.0
   68    61    48    52   0.20800  1.0 3.0
   62    59    61    65   0.56750  1.0 1.0
   62    59    61    65  -0.07550 -1.0 2.0
   62    59    61    65   0.20000  1.0 3.0
   62    59    61    48   0.56750  1.0 1.0
   62    59    61    48  -0.07550 -1.0 2.0
   62    59    61    48   0.20000  1.0 3.0
   62    59    61    68   0.86500  1.0 1.0
   62    59    61    68  -0.17500 -1.0 2.0
   62    59    61    68   0.20800  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   64    62    70    71   0.19450  1.0 3.0
   42    40    41    44   2.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   77    80    78    79  10.50000 -1.0 2.0
END
