* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    150    212     436
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02035   101.21982    17.15117
    3     1 S   H    _H1_     3     1.02120    38.83117   123.09253
    4     1 S   H    _H2_     4     1.02078    75.75589   -89.50940
    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   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C5_    36     1.84120   100.85269   159.98529
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C4_    37     1.52976   110.22258  -179.96574
   38    37 S   HC   _H4_    38     1.09614   112.80112   -57.93617
   39    37 S   HC   _H5_    39     1.09504   111.47804   179.95154
   40    37 S   HC   _H6_    40     1.09846   110.87853    63.53717
   41    33 S   OH   _O33    41     1.42650   111.81734   -60.62975
   42    41 S   HO   _H7_    42     0.97174   106.67431   -60.95750
   43    33 S   S    _S1_    43     1.84629   109.10973    63.16689
   44    43 S   CT   _C6_    44     1.81840   100.61071  -160.96092
   45    44 S   HC   _H8_    45     1.09520   108.49686    57.21165
   46    44 S   HC   _H9_    46     1.09492   107.64203   -59.47766
   47    44 S   CT   _C7_    47     1.52281   112.21048  -179.98022
   48    47 S   HC   _H10    48     1.09499   109.39350  -179.94405
   49    47 S   HC   _H11    49     1.09538   111.93100    60.67899
   50    47 S   N    _N4_    50     1.44508   113.01280   -61.45616
   51    50 S   H    _H12    51     1.01600   118.51597    89.96087
   52    50 S   C    _C8_    52     1.38714   122.97072   -90.01644
   53    52 S   O    _O34    53     1.22764   125.22264     0.01978
   54    52 S   CT   _C9_    54     1.51754   111.58718   179.88465
   55    54 S   HC   _H13    55     1.09714   108.36773   -58.05894
   56    54 S   HC   _H14    56     1.09794   108.33851    58.12473
   57    54 S   CT   _C10    57     1.52234   112.51754  -180.00000
   58    57 S   HC   _H15    58     1.09553   110.58953   -60.00437
   59    57 S   HC   _H16    59     1.09542   110.57823  -178.66206
   60    57 S   N    _N5_    60     1.44411   109.79137    60.66890
   61    60 S   H    _H17    61     1.01565   117.52300   -88.14865
   62    60 S   C    _C11    62     1.38533   123.00338    90.00701
   63    62 S   O    _O35    63     1.22936   124.93680     0.00000
   64    62 S   CT   _C12    64     1.52763   112.76459  -178.77156
   65    64 S   HC   _H3_    65     1.09667   109.21423   -31.22164
   66    64 S   CT   _C13    66     1.55749   114.28582    92.33475
   67    64 S   OH   _O40    84     1.42502   106.42341  -146.49772
   68    67 S   HO   _H27    85     0.97047   106.59018    60.02119
   69    66 S   CT   _C14    67     1.54747   108.57696    56.84750
   70    69 S   HC   _H18    68     1.09567   110.96262    59.79305
   71    69 S   HC   _H19    69     1.09622   111.63114   -59.81171
   72    69 S   HC   _H20    70     1.09499   111.56549  -179.98022
   73    66 S   CT   _C15    71     1.54176   111.00136   -61.06569
   74    73 S   HC   _H21    72     1.09599   111.48933   -61.47910
   75    73 S   HC   _H22    73     1.09579   111.03811   178.96940
   76    73 S   HC   _H23    74     1.09505   111.60984    58.22222
   77    66 S   CT   _C16    75     1.54846   111.16925   176.48091
   78    77 S   HC   _H24    76     1.09471   111.00155    60.44724
   79    77 S   HC   _H25    77     1.09540   111.07466   -60.05284
   80    77 S   OS   _O36    78     1.42369   111.06809  -180.00000
   81    80 S   P2   _P1_    79     1.63195   119.19151   159.99195
   82    81 S   O2Z  _O39    80     1.51351   108.20160   179.98022
   83    81 S   O2Z  _O37    81     1.51320   109.95360    46.62374
   84    81 S   OS   _O38    82     1.63458    99.65249   -67.27965
   85    84 S   HO   _H26    83     0.98076   118.53729   174.90392
  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   9   5   4   3
  11   2   1   1   7   4   3   2   3   1   7   8   5   4   7   4
   3   7   3   8   4   8   5   4   7   4   3   7   3   9   4  16
   6  15   4   1  11   4   3   2   7   3   2   1   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    48    49    50  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54    55    56    57    58    59    60  
   54    55    56    57  
   55    56    57    58    59    60    61    62  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60    61    62    63    64  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64    65    66    69    73    77    67    68  
   64    65    66    67  
   65    66    69    70    71    72    73    74    75    76    77    78    79    80    67    68  
   66    69    73    77    67    68  
   69    70    71    72    73    74    75    76    77    78    79    80    81    67    68  
   68    69    73    77  
    0  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    77  
   72    73    77  
   73    77  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   82   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   83   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   84   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.380000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   320.000  1.410
   33    43   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   337.000  1.449
   50    51   434.000  1.010
   50    52   490.000  1.335
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   337.000  1.449
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    67   320.000  1.410
   66    69   268.000  1.529
   66    73   268.000  1.529
   66    77   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   230.000  1.697
   81    82   525.000  1.480
   81    83   525.000  1.480
   81    84   230.000  1.697
   84    85   553.000  0.945
   67    68   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    55.00000  108.50000
   33    43    44    62.00000   98.90000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    50.00000  109.50000
   43    33    37    75.00000  111.63000
   43    33    41    85.00000  114.68000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    75.00000  111.63000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    70.00000  110.72300
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    38.00000  118.40000
   47    50    52    50.00000  121.90000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    80.00000  122.90000
   50    52    54    70.00000  116.60000
   52    50    51    35.00000  119.80000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    63.00000  111.10000
   54    52    53    80.00000  120.40000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    70.00000  110.72300
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    38.00000  118.40000
   57    60    62    50.00000  121.90000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  111.10000
   62    64    67    95.00000  109.52300
   64    62    63    80.00000  120.40000
   64    66    69    58.35000  112.70000
   64    66    73    58.35000  112.70000
   64    66    77    58.35000  112.70000
   64    67    68    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   66    77    78    37.50000  110.70000
   66    77    79    37.50000  110.70000
   66    77    80    50.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    66    69    58.35000  112.70000
   77    66    73    58.35000  112.70000
   77    80    81   100.00000  120.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82   100.00000  108.23000
   80    81    83   100.00000  108.23000
   80    81    84    45.00000  102.60000
   81    84    85    45.00000  108.50000
   83    81    82   140.00000  119.90000
   84    81    82   100.00000  108.23000
   84    81    83   100.00000  108.23000
   67    64    65    35.00000  109.50000
   67    64    66    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.08500  1.0 1.0
   24    29    33    43  -0.53150 -1.0 2.0
   24    29    33    43   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.08500  1.0 1.0
   29    33    43    44  -0.53150 -1.0 2.0
   29    33    43    44   0.48050  1.0 3.0
   33    43    44    45   0.32350  1.0 3.0
   33    43    44    46   0.32350  1.0 3.0
   33    43    44    47   0.01700  1.0 1.0
   33    43    44    47  -0.23550 -1.0 2.0
   33    43    44    47   0.21350  1.0 3.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44   0.01700  1.0 1.0
   37    33    43    44  -0.23550 -1.0 2.0
   37    33    43    44   0.21350  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44   0.13850  1.0 1.0
   41    33    43    44  -1.34450 -1.0 2.0
   41    33    43    44   0.57400  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    40   0.15000  1.0 3.0
   43    33    41    42   0.35600  1.0 1.0
   43    33    41    42  -0.10750 -1.0 2.0
   43    33    41    42  -0.54400  1.0 3.0
   43    44    47    48   0.15000  1.0 3.0
   43    44    47    49   0.15000  1.0 3.0
   43    44    47    50   0.56750  1.0 1.0
   43    44    47    50  -0.07550 -1.0 2.0
   43    44    47    50   0.20000  1.0 3.0
   44    47    50    51   0.00000  1.0 1.0
   44    47    50    52  -0.43950  1.0 1.0
   44    47    50    52  -0.08100 -1.0 2.0
   44    47    50    52   0.03350  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    52    53   3.04450 -1.0 2.0
   47    50    52    54   1.49850  1.0 1.0
   47    50    52    54   1.53950 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    54    55   0.00000  1.0 1.0
   50    52    54    56   0.00000  1.0 1.0
   50    52    54    57   1.39750  1.0 1.0
   50    52    54    57  -0.07950 -1.0 2.0
   50    52    54    57  -0.18750  1.0 3.0
   51    50    52    53   2.45000 -1.0 2.0
   51    50    52    54   2.45000 -1.0 2.0
   52    54    57    58  -0.11250  1.0 3.0
   52    54    57    59  -0.11250  1.0 3.0
   52    54    57    60  -2.10200  1.0 1.0
   52    54    57    60  -0.31600 -1.0 2.0
   52    54    57    60   0.13050  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.30150 -1.0 2.0
   54    57    60    61   0.00000  1.0 1.0
   54    57    60    62  -0.43950  1.0 1.0
   54    57    60    62  -0.08100 -1.0 2.0
   54    57    60    62   0.03350  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    60    62    63   3.04450 -1.0 2.0
   57    60    62    64   1.49850  1.0 1.0
   57    60    62    64   1.53950 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   1.39750  1.0 1.0
   60    62    64    66  -0.07950 -1.0 2.0
   60    62    64    66  -0.18750  1.0 3.0
   60    62    64    67   0.00000  1.0 1.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    69  -0.95700  1.0 1.0
   62    64    66    69  -0.18200 -1.0 2.0
   62    64    66    69   0.29450  1.0 3.0
   62    64    66    73  -0.95700  1.0 1.0
   62    64    66    73  -0.18200 -1.0 2.0
   62    64    66    73   0.29450  1.0 3.0
   62    64    66    77  -0.95700  1.0 1.0
   62    64    66    77  -0.18200 -1.0 2.0
   62    64    66    77   0.29450  1.0 3.0
   62    64    67    68   0.91850  1.0 1.0
   62    64    67    68   0.57950  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.30150 -1.0 2.0
   63    62    64    67   0.30150 -1.0 2.0
   64    66    69    70   0.15000  1.0 3.0
   64    66    69    71   0.15000  1.0 3.0
   64    66    69    72   0.15000  1.0 3.0
   64    66    73    74   0.15000  1.0 3.0
   64    66    73    75   0.15000  1.0 3.0
   64    66    73    76   0.15000  1.0 3.0
   64    66    77    78   0.15000  1.0 3.0
   64    66    77    79   0.15000  1.0 3.0
   64    66    77    80   0.62750  1.0 1.0
   64    66    77    80  -0.30950 -1.0 2.0
   64    66    77    80   0.27300  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    66    73   0.15000  1.0 3.0
   65    64    66    77   0.15000  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   66    64    67    68  -0.11600  1.0 1.0
   66    64    67    68  -0.09450 -1.0 2.0
   66    64    67    68   0.21250  1.0 3.0
   66    77    80    81  -2.65550  1.0 1.0
   66    77    80    81  -0.22350 -1.0 2.0
   66    77    80    81   0.24150  1.0 3.0
   69    66    73    74   0.15000  1.0 3.0
   69    66    73    75   0.15000  1.0 3.0
   69    66    73    76   0.15000  1.0 3.0
   69    66    77    78   0.15000  1.0 3.0
   69    66    77    79   0.15000  1.0 3.0
   69    66    77    80   0.62750  1.0 1.0
   69    66    77    80  -0.30950 -1.0 2.0
   69    66    77    80   0.27300  1.0 3.0
   73    66    69    70   0.15000  1.0 3.0
   73    66    69    71   0.15000  1.0 3.0
   73    66    69    72   0.15000  1.0 3.0
   73    66    77    78   0.15000  1.0 3.0
   73    66    77    79   0.15000  1.0 3.0
   73    66    77    80   0.62750  1.0 1.0
   73    66    77    80  -0.30950 -1.0 2.0
   73    66    77    80   0.27300  1.0 3.0
   77    66    69    70   0.15000  1.0 3.0
   77    66    69    71   0.15000  1.0 3.0
   77    66    69    72   0.15000  1.0 3.0
   77    66    73    74   0.15000  1.0 3.0
   77    66    73    75   0.15000  1.0 3.0
   77    66    73    76   0.15000  1.0 3.0
   77    80    81    82   0.00000  1.0 1.0
   77    80    81    83   0.00000  1.0 1.0
   77    80    81    84   0.05050  1.0 1.0
   77    80    81    84  -1.30700 -1.0 2.0
   77    80    81    84   0.91550  1.0 3.0
   78    77    80    81   0.03000  1.0 3.0
   79    77    80    81   0.03000  1.0 3.0
   80    81    84    85   0.00000  1.0 1.0
   82    81    84    85   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   67    64    66    69   0.86500  1.0 1.0
   67    64    66    69  -0.17500 -1.0 2.0
   67    64    66    69   0.20800  1.0 3.0
   67    64    66    73   0.86500  1.0 1.0
   67    64    66    73  -0.17500 -1.0 2.0
   67    64    66    73   0.20800  1.0 3.0
   67    64    66    77   0.86500  1.0 1.0
   67    64    66    77  -0.17500 -1.0 2.0
   67    64    66    77   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
   35    30    34    36  10.50000 -1.0 2.0
   51    52    50    47   1.00000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   61    62    60    57   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
END
