* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    149    223     439
    1     0 S   NP   _N1_     1    28.50444    93.04992   -18.86011
    2     1 S   H    _HN1     2     1.02821    25.82585   155.64860
    3     1 S   H    _H1_     3     1.02760    87.47987   -60.99439
    4     1 S   H    _H2_     4     1.02950   100.01125    47.28092
    5     1 S   CT   _CA1     5     1.50263   134.94474   179.40719
    6     5 S   HC   _HA1     6     1.09596   105.04998    47.90314
    7     5 S   CO3  _C1_     7     1.53733   112.44169   -71.57269
    8     7 S   O2Z  _O11     8     1.26331   114.96588   -37.00977
    9     7 S   O2Z  _O12     9     1.26244   114.90847   141.48855
   10     5 S   CT   _CB1    10     1.53053   107.24105   165.32995
   11    10 S   HC   HB11    11     1.09807   108.71974   -52.78994
   12    10 S   HC   HB12    12     1.09749   110.51651    63.42898
   13    10 S   CT   _CG1    13     1.53023   113.16602  -174.30415
   14    13 S   HC   HG11    14     1.09604   110.11319   -70.21813
   15    13 S   HC   HG12    15     1.09652   110.18863    48.96133
   16    13 S   C    _CD1    16     1.51939   112.33319   168.68575
   17    16 S   O    _OE1    17     1.22769   123.16359   -10.50495
   18    16 S   N    _N2_    18     1.38608   111.85297   170.94885
   19    18 S   H    _HN2    19     1.01620   118.99961    -2.06990
   20    18 S   CT1  _CA2    20     1.46360   123.41838   179.16749
   21    20 S   HC   _HA2    21     1.09739   109.28735   -12.15604
   22    20 S   C    _C2_    22     1.53472   108.63532  -127.73513
   23    22 S   O    _O2_    23     1.23035   122.18177  -149.24253
   24    20 S   CT   _CB2    32     1.53458   111.35042   109.92072
   25    24 S   HC   HB21    33     1.09361   109.09196    55.66564
   26    24 S   HC   HB22    34     1.09495   110.87916   174.13168
   27    22 S   N    _N3_    24     1.38498   113.46682    38.39035
   28    27 S   H    _HN3    25     1.01529   118.81137    -1.21869
   29    24 S   S    _SG2    35     1.82651   111.14530   -66.47383
   30    27 S   CT   _CA3    26     1.45442   123.62418   175.05914
   31    30 S   HC   HA31    27     1.09514   109.38970    21.12238
   32    30 S   HC   HA32    28     1.09500   107.08294   138.14834
   33    29 S   CT   _C18    36     1.82245   100.52472   157.99318
   34    33 S   HC   _H3_    37     1.09593   109.91528    56.02982
   35    30 S   CO3  _C3_    29     1.52912   113.02505  -102.46411
   36    35 S   O2Z  _O31    30     1.26411   115.38850   -44.91383
   37    35 S   O2Z  _O32    31     1.26351   114.99733   136.00292
   38    33 S   CM   _C19    38     1.49280   110.00084   177.11574
   39    38 S   CMA  _C20    39     1.35193   123.56458    92.53038
   40    39 S   OM   _O34    40     1.26224   128.81215   175.98151
   41    38 S   OH   _O35    80     1.38607   114.76674   -90.78449
   42    41 S   HO   _H27    81     0.97516   105.75083  -178.43389
   43    39 S   CM   _C15    41     1.49658   117.38344    -4.09787
   44    43 S   CMA  _C16    42     1.36533   122.47689    23.33153
   45    44 S   OM   _O36    43     1.26424   132.15873   178.08521
   46    43 S   CT   _C14    46     1.53849   118.82152  -155.59350
   47    46 S   HC   _H25    47     1.09768   110.70835  -161.58547
   48    46 S   HC   _H26    48     1.09686   111.36259   -46.48224
   49    33 S   CO4  _C17    44     1.51648   111.12845   -64.23716
   50    49 S   O    _O33    45     1.23400   120.41673   104.69600
   51    46 S   CT   _C13    49     1.53516   111.57992    77.60922
   52    51 S   HC   _H23    50     1.09751   109.60215    56.67325
   53    51 S   HC   _H24    51     1.09653   110.31334   -60.76402
   54    51 S   CT   _C12    52     1.52993   111.32051   177.74971
   55    54 S   HC   _H21    53     1.09651   109.50230   -58.50088
   56    54 S   HC   _H22    54     1.09673   109.65404    58.77443
   57    54 S   CT   _C11    55     1.52951   111.24395  -179.89165
   58    57 S   HC   _H19    56     1.09601   109.65288    56.20187
   59    57 S   HC   _H20    57     1.09678   109.53107   -61.00769
   60    57 S   CT   _C10    58     1.52908   111.40765   177.49337
   61    60 S   HC   _H17    59     1.09674   109.61280    58.90949
   62    60 S   HC   _H18    60     1.09677   109.55444   -58.40868
   63    60 S   CT   _C9_    61     1.52946   111.27209  -179.67675
   64    63 S   HC   _H15    62     1.09660   109.61306    57.86558
   65    63 S   HC   _H16    63     1.09679   109.55614   -59.40452
   66    63 S   CT   _C8_    64     1.52937   111.33524   179.19789
   67    66 S   HC   _H13    65     1.09683   109.56157   -58.49061
   68    66 S   HC   _H14    66     1.09679   109.57450    58.80956
   69    66 S   CT   _C7_    67     1.52956   111.30874  -179.81025
   70    69 S   HC   _H11    68     1.09684   109.56141    58.60751
   71    69 S   HC   _H12    69     1.09681   109.56752   -58.67657
   72    69 S   CT   _C6_    70     1.52953   111.33343   179.96574
   73    72 S   HC   _H9_    71     1.09685   109.57641    58.64657
   74    72 S   HC   _H10    72     1.09685   109.57570   -58.62421
   75    72 S   CT   _C5_    73     1.52846   111.32655  -180.00000
   76    75 S   HC   _H7_    74     1.09623   109.86594    58.86236
   77    75 S   HC   _H8_    75     1.09622   109.86592   -58.86580
   78    75 S   CT   _C4_    76     1.52036   111.49466   180.00000
   79    78 S   HC   _H4_    77     1.09469   111.00127    60.25885
   80    78 S   HC   _H5_    78     1.09469   111.00114   -60.26119
   81    78 S   HC   _H6_    79     1.09449   110.26123   180.00000
  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   8   5   4   3
  11   6   2   1   1   9  11   4   3   1  11   7   3  10   5   4
   1   1   9   5   4   9   5   4   9   5   4   9   5   4   9   5
   4   9   5   4   9   5   4   9   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    49    50    41    42  
   38    39    44    49    50    41  
   36    37  
   37  
    0  
   39    40    43    44    49    50    46    41    42  
   40    43    44    45    49    46    47    48    51    41    42  
   43    44    46    41  
   42    43    49  
    0  
   44    45    49    50    46    47    48    51    52    53    54  
   45    49    50    46    47    48    51  
   49    50    46  
   47    48    51    52    53    54    55    56    57    49  
   48    51    52    53    54  
   51    52    53    54  
   50  
    0  
   52    53    54    55    56    57    58    59    60  
   53    54    55    56    57  
   54    55    56    57  
   55    56    57    58    59    60    61    62    63  
   56    57    58    59    60  
   57    58    59    60  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    49   317.000  1.522
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   465.000  1.376
   43    46   317.000  1.510
   44    45   745.000  1.250
   44    49   270.000  1.476
   49    50   570.000  1.229
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   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   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    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    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    49    44    65.00000  118.62400
   33    49    50    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    70.00000  107.45700
   39    43    44    70.00000  117.34000
   39    43    46    70.00000  124.00000
   43    39    40    65.00000  137.10300
   43    44    45    65.00000  137.10300
   43    44    49    65.00000  114.61000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    51    70.00000  112.02700
   44    49    50    80.00000  120.81000
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  109.06800
   49    44    45    85.00000  116.28000
   46    43    44    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   41    38    39    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    44   0.65300  1.0 1.0
   29    33    49    44  -0.03850 -1.0 2.0
   29    33    49    44   0.33900  1.0 3.0
   29    33    49    50   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    44   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    44   0.65300  1.0 1.0
   38    33    49    44  -0.03850 -1.0 2.0
   38    33    49    44   0.33900  1.0 3.0
   38    33    49    50   0.30150 -1.0 2.0
   38    39   -43    44   7.00000 -1.0 2.0
   38    39    43    46   7.00000 -1.0 2.0
   39    38    41    42  -0.66100  1.0 1.0
   39    38    41    42   1.20850 -1.0 2.0
   39    38    41    42  -0.36000  1.0 3.0
   39    43    44    45   7.00000 -1.0 2.0
   39    43    44    49   7.00000 -1.0 2.0
   39    43    46    47   0.00000  1.0 1.0
   39    43    46    48   0.00000  1.0 1.0
   39    43    46    51   0.09850  1.0 1.0
   39    43    46    51   0.15250 -1.0 2.0
   39    43    46    51  -0.50650  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    44   -49    33  -0.33500  1.0 1.0
   43    44   -49    33   1.06600 -1.0 2.0
   43    44   -49    33  -0.14000  1.0 3.0
   43    44    49    50   1.00000 -1.0 2.0
   43    46    51    52   0.15000  1.0 3.0
   43    46    51    53   0.15000  1.0 3.0
   43    46    51    54   0.34400  1.0 1.0
   43    46    51    54   0.09450 -1.0 2.0
   43    46    51    54   0.11100  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    51   0.09850  1.0 1.0
   44    43    46    51   0.15250 -1.0 2.0
   44    43    46    51  -0.50650  1.0 3.0
   45    44    49    33   0.32450 -1.0 2.0
   45    44    49    33   0.17400  1.0 3.0
   45    44    49    50  -0.11900  1.0 1.0
   45    44    49    50   0.76850 -1.0 2.0
   45    44    49    50   0.14100  1.0 3.0
   49    33   -38    39  -0.51250  1.0 1.0
   49    33   -38    39  -0.88800 -1.0 2.0
   49    33   -38    39   0.08850  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   46    43    44    45   7.00000 -1.0 2.0
   46    43    44    49   7.00000 -1.0 2.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.56750  1.0 1.0
   46    51    54    57  -0.07550 -1.0 2.0
   46    51    54    57   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    54    57    58   0.15000  1.0 3.0
   51    54    57    59   0.15000  1.0 3.0
   51    54    57    60   0.56750  1.0 1.0
   51    54    57    60  -0.07550 -1.0 2.0
   51    54    57    60   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.56750  1.0 1.0
   54    57    60    63  -0.07550 -1.0 2.0
   54    57    60    63   0.20000  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    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.56750  1.0 1.0
   69    72    75    78  -0.07550 -1.0 2.0
   69    72    75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    46    43    44   1.10000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   33    44    49    50  10.50000 -1.0 2.0
END
