* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    144    222     435
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085   103.87748   -37.08798
    3     1 S   H    _H1_     3     1.02133    70.16953    68.07400
    4     1 S   H    _H2_     4     1.02155    43.11738  -139.76764
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C11    36     1.83799    97.65739  -178.16752
   34    33 S   HC   _H4_    37     1.09288   103.39488   -35.08579
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C12    38     1.54588   110.39178    80.00564
   39    38 S   HC   _H19    39     1.09685   110.47756    97.99095
   40    38 S   HC   _H20    40     1.09810   110.94809   -18.95749
   41    33 S   CT   _C10    57     1.55033   112.82243  -154.13621
   42    41 S   HC   _H18    58     1.09318   108.50513  -156.72257
   43    38 S   CT   _C13    41     1.54489   114.01318  -138.50711
   44    43 S   HC   _H21    42     1.09868   107.88446  -177.13283
   45    43 S   HC   _H22    43     1.09868   108.80556    69.84192
   46    41 S   CO4  _C18    59     1.50635   112.85709   -42.90023
   47    46 S   O    _O35    60     1.22609   123.46328   123.02220
   48    46 S   HC   _H27    61     1.10353   115.54616   -56.90954
   49    43 S   CM   _C14    44     1.51727   116.71510   -54.36774
   50    49 S   CT   _C16    45     1.51725   116.51594   103.52172
   51    50 S   HC   _H5_    46     1.09464   109.25084   -24.08903
   52    49 S   CM   _C15    76     1.34327   120.00054   -80.50543
   53    52 S   HC   _H23    77     1.07946   120.31261   179.97202
   54    52 S   HC   _H24    78     1.07913   120.33950     0.00000
   55    50 S   CT   _C17    47     1.54998   118.53273  -148.98879
   56    55 S   HC   _H6_    48     1.09845   109.31565   -70.02277
   57    50 S   OH   _O34    74     1.43567   106.20264    88.65920
   58    57 S   HO   _H26    75     0.96630   105.91751   -59.94378
   59    55 S   CT   _C7_    49     1.55037   115.31233    53.95788
   60    59 S   HC   _H3_    50     1.08745   107.82599   -61.93234
   61    55 S   OH   _O33    72     1.43333   108.12564   174.72757
   62    61 S   HO   _H25    73     0.96724   106.09302   -60.02292
   63    59 S   CT   _C8_    51     1.55088   113.34839    60.95219
   64    63 S   HC   _H14    52     1.09775   109.67981   104.97713
   65    63 S   HC   _H15    53     1.09215   111.50299   -10.30912
   66    59 S   CT   _C5_    62     1.53689   110.27164  -176.06737
   67    66 S   HC   _H10    63     1.09414   107.84994   -65.25034
   68    63 S   CT   _C9_    54     1.53872   113.94123  -134.34467
   69    68 S   HC   _H16    55     1.09729   108.57053  -175.10087
   70    68 S   HC   _H17    56     1.09933   108.37342   -60.83671
   71    66 S   CT   _C4_    64     1.52358   110.23565    53.29600
   72    71 S   HC   _H7_    65     1.09526   111.50288    62.03005
   73    71 S   HC   _H8_    66     1.09466   110.99344   -58.46716
   74    71 S   HC   _H9_    67     1.09520   110.42845  -177.94748
   75    66 S   CT   _C6_    68     1.52349   110.26480   176.16855
   76    75 S   HC   _H11    69     1.09489   111.51702   -61.99223
   77    75 S   HC   _H12    70     1.09592   110.41030   177.91531
   78    75 S   HC   _H13    71     1.09496   110.94865    58.50462
  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
  17   8   2   1   1  12   6   5  12   7  10   4   3   6   2   1
  11  14   7   4   1   1  15   7   3   1  19   9   3   1   9   5
   4  10   8   2   1   1   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    68    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    49    63    68    69    70    41    42    46    47    48  
   38    39    40    43    68    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    49    50    68    41    42    46    52  
   40    43    44    45    49    41  
   43    44    45    49    41  
   42    46    47    48    43    59    63    64    65    68    69    70  
   46    47    48    63    68    69    70  
   44    45    49    50    51    55    57    52    53    54  
   45    49    50    52  
   49    50    52  
   47    48    63    68    69    70  
   48    68  
   68  
   50    51    55    56    59    61    57    58    52    53    54  
   51    55    56    59    60    63    66    61    62    57    58    52    53    54  
   55    56    59    61    57    58    52  
   53    54    55    57  
   54  
    0  
   56    59    60    63    64    65    68    66    67    71    75    61    62    57    58  
   59    60    63    66    61    62    57  
   58    59    61  
    0  
   60    63    64    65    68    69    70    66    67    71    72    73    74    75    76    77    78    61    62  
   63    64    65    68    66    67    71    75    61  
   62    63    66  
    0  
   64    65    68    69    70    66    67    71    75  
   65    68    69    70    66  
   68    69    70    66  
   67    71    72    73    74    75    76    77    78    68  
   71    72    73    74    75    76    77    78  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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   0.107500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.7500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   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    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   317.000  1.510
   49    52   549.000  1.340
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    41   268.000  1.529
   41    42   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    48   340.000  1.090
   66    67   340.000  1.090
   66    71   268.000  1.529
   66    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   553.000  0.945
   57    58   553.000  0.945
   52    53   340.000  1.080
   52    54   340.000  1.080
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    68    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    49    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    50    65.00000  117.92700
   43    49    52    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    50    51    35.00000  109.50000
   49    50    55    70.00000  112.02700
   49    50    57    90.00000  110.39200
   49    52    53    35.00000  120.00000
   49    52    54    35.00000  120.00000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    61    50.00000  109.50000
   50    57    58    55.00000  108.50000
   55    50    51    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    66    58.35000  112.70000
   55    61    62    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    68    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    71    58.35000  112.70000
   59    66    75    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    41    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    41    42    37.50000  110.70000
   68    41    46    63.00000  111.10000
   70    68    69    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    68    70    37.50000  110.70000
   41    46    47    80.00000  120.40000
   41    46    48    35.00000  115.00000
   46    41    42    35.00000  109.50000
   48    46    47    35.00000  123.00000
   66    59    60    37.50000  110.70000
   66    59    63    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   71    66    67    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   52    49    50    70.00000  124.00000
   54    52    53    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    68   0.44750  1.0 1.0
   29    33    41    68  -0.17800 -1.0 2.0
   29    33    41    68   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    48   0.74550  1.0 1.0
   33    41    46    48  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    68   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46  -0.11250  1.0 3.0
   38    33    41    68   0.56750  1.0 1.0
   38    33    41    68  -0.07550 -1.0 2.0
   38    33    41    68   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    43    49    50   0.46850  1.0 1.0
   38    43    49    50   0.08550 -1.0 2.0
   38    43    49    50   0.09800  1.0 3.0
   38    43    49    52   0.09850  1.0 1.0
   38    43    49    52   0.15250 -1.0 2.0
   38    43    49    52  -0.50650  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   43    49    50    51   0.34800  1.0 3.0
   43    49    50    55   0.46850  1.0 1.0
   43    49    50    55   0.08550 -1.0 2.0
   43    49    50    55   0.09800  1.0 3.0
   43    49    50    57   0.18000  1.0 1.0
   43    49    50    57   0.16450 -1.0 2.0
   43    49    50    57   0.04450  1.0 3.0
   43    49    52    53   7.00000 -1.0 2.0
   43    49    52    54   7.00000 -1.0 2.0
   44    43    49    50   0.34800  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   45    43    49    50   0.34800  1.0 3.0
   45    43    49    52   0.00000  1.0 1.0
   49    50    55    56   0.15000  1.0 3.0
   49    50    55    59   0.34400  1.0 1.0
   49    50    55    59   0.09450 -1.0 2.0
   49    50    55    59   0.11100  1.0 3.0
   49    50    55    61   1.05650  1.0 1.0
   49    50    55    61   0.15600 -1.0 2.0
   49    50    55    61   0.53150  1.0 3.0
   49    50    57    58  -0.07800  1.0 1.0
   49    50    57    58  -0.21500 -1.0 2.0
   49    50    57    58  -0.03150  1.0 3.0
   50    49    52    53   7.00000 -1.0 2.0
   50    49    52    54   7.00000 -1.0 2.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    63   0.56750  1.0 1.0
   50    55    59    63  -0.07550 -1.0 2.0
   50    55    59    63   0.20000  1.0 3.0
   50    55    59    66   0.56750  1.0 1.0
   50    55    59    66  -0.07550 -1.0 2.0
   50    55    59    66   0.20000  1.0 3.0
   50    55    61    62  -0.11600  1.0 1.0
   50    55    61    62  -0.09450 -1.0 2.0
   50    55    61    62   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   51    50    55    61   0.23400  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   55    50    57    58  -0.11600  1.0 1.0
   55    50    57    58  -0.09450 -1.0 2.0
   55    50    57    58   0.21250  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    65   0.15000  1.0 3.0
   55    59    63    68   0.56750  1.0 1.0
   55    59    63    68  -0.07550 -1.0 2.0
   55    59    63    68   0.20000  1.0 3.0
   55    59    66    67   0.15000  1.0 3.0
   55    59    66    71   0.56750  1.0 1.0
   55    59    66    71  -0.07550 -1.0 2.0
   55    59    66    71   0.20000  1.0 3.0
   55    59    66    75   0.56750  1.0 1.0
   55    59    66    75  -0.07550 -1.0 2.0
   55    59    66    75   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62  -0.11600  1.0 1.0
   59    55    61    62  -0.09450 -1.0 2.0
   59    55    61    62   0.21250  1.0 3.0
   59    63    68    69   0.15000  1.0 3.0
   59    63    68    70   0.15000  1.0 3.0
   59    63    68    41   0.56750  1.0 1.0
   59    63    68    41  -0.07550 -1.0 2.0
   59    63    68    41   0.20000  1.0 3.0
   59    66    71    72   0.15000  1.0 3.0
   59    66    71    73   0.15000  1.0 3.0
   59    66    71    74   0.15000  1.0 3.0
   59    66    75    76   0.15000  1.0 3.0
   59    66    75    77   0.15000  1.0 3.0
   59    66    75    78   0.15000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    68   0.15000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    71   0.15000  1.0 3.0
   60    59    66    75   0.15000  1.0 3.0
   63    59    66    67   0.15000  1.0 3.0
   63    59    66    71   0.56750  1.0 1.0
   63    59    66    71  -0.07550 -1.0 2.0
   63    59    66    71   0.20000  1.0 3.0
   63    59    66    75   0.56750  1.0 1.0
   63    59    66    75  -0.07550 -1.0 2.0
   63    59    66    75   0.20000  1.0 3.0
   63    68    41    33   0.56750  1.0 1.0
   63    68    41    33  -0.07550 -1.0 2.0
   63    68    41    33   0.20000  1.0 3.0
   63    68    41    42   0.15000  1.0 3.0
   63    68    41    46  -0.95700  1.0 1.0
   63    68    41    46  -0.18200 -1.0 2.0
   63    68    41    46   0.29450  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    41   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    41   0.15000  1.0 3.0
   68    41    46    47   0.30150 -1.0 2.0
   68    41    46    48   0.74550  1.0 1.0
   68    41    46    48  -0.00500 -1.0 2.0
   69    68    41    33   0.15000  1.0 3.0
   69    68    41    42   0.15000  1.0 3.0
   69    68    41    46  -0.11250  1.0 3.0
   70    68    41    33   0.15000  1.0 3.0
   70    68    41    42   0.15000  1.0 3.0
   70    68    41    46  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   66    59    63    64   0.15000  1.0 3.0
   66    59    63    65   0.15000  1.0 3.0
   66    59    63    68   0.56750  1.0 1.0
   66    59    63    68  -0.07550 -1.0 2.0
   66    59    63    68   0.20000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    78   0.15000  1.0 3.0
   71    66    75    76   0.15000  1.0 3.0
   71    66    75    77   0.15000  1.0 3.0
   71    66    75    78   0.15000  1.0 3.0
   75    66    71    72   0.15000  1.0 3.0
   75    66    71    73   0.15000  1.0 3.0
   75    66    71    74   0.15000  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   0.86500  1.0 1.0
   61    55    59    63  -0.17500 -1.0 2.0
   61    55    59    63   0.20800  1.0 3.0
   61    55    59    66   0.86500  1.0 1.0
   61    55    59    66  -0.17500 -1.0 2.0
   61    55    59    66   0.20800  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    59   0.86500  1.0 1.0
   57    50    55    59  -0.17500 -1.0 2.0
   57    50    55    59   0.20800  1.0 3.0
   57    50    55    61   3.75450  1.0 1.0
   52    49    50    51   0.00000  1.0 1.0
   52    49    50    55   0.09850  1.0 1.0
   52    49    50    55   0.15250 -1.0 2.0
   52    49    50    55  -0.50650  1.0 3.0
   52    49    50    57   0.67800  1.0 1.0
   52    49    50    57   0.47050 -1.0 2.0
   52    49    50    57  -0.62500  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
   43    50    49    52   1.10000 -1.0 2.0
   41    48    46    47  10.50000 -1.0 2.0
   53    54    52    49   1.10000 -1.0 2.0
END
