* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    143    199     404
    1     0 S   NP   _N1_     1    32.38059   101.64724   -21.41649
    2     1 S   H    _HN1     2     1.02869    34.44323   -99.32565
    3     1 S   H    _H1_     3     1.02745   100.12170   154.72875
    4     1 S   H    _H2_     4     1.03496   139.84566   -71.73052
    5     1 S   CT   _CA1     5     1.50072    83.09056    44.38883
    6     5 S   HC   _HA1     6     1.09534   105.01036   155.84972
    7     5 S   CO3  _C1_     7     1.53658   113.23301    35.23246
    8     7 S   O2Z  _O11     8     1.26389   115.09372   -34.53578
    9     7 S   O2Z  _O12     9     1.26254   114.99324   144.80192
   10     5 S   CT   _CB1    10     1.52944   107.36475   -85.91382
   11    10 S   HC   HB11    11     1.09601   109.25438   -43.16620
   12    10 S   HC   HB12    12     1.09833   110.43814    72.46853
   13    10 S   CT   _CG1    13     1.53228   113.16323  -165.54833
   14    13 S   HC   HG11    14     1.09534   110.99474   -94.37691
   15    13 S   HC   HG12    15     1.09617   111.56279    25.11285
   16    13 S   C    _CD1    16     1.51468   109.01451   145.59242
   17    16 S   O    _OE1    17     1.22783   122.01946    87.21911
   18    16 S   N    _N2_    18     1.38433   112.31536   -89.06765
   19    18 S   H    _HN2    19     1.01602   119.11567    -6.77060
   20    18 S   CT1  _CA2    20     1.45987   123.20458   171.28206
   21    20 S   HC   _HA2    21     1.09735   108.69426    27.33092
   22    20 S   C    _C2_    22     1.53330   109.89824   -88.77820
   23    22 S   O    _O2_    23     1.23189   120.84518   158.38265
   24    20 S   CT   _CB2    32     1.53136   111.17711   150.35438
   25    24 S   HC   HB21    33     1.09430   109.89072    50.59630
   26    24 S   HC   HB22    34     1.09513   110.54302   169.29939
   27    22 S   N    _N3_    24     1.38299   115.06434   -28.18069
   28    27 S   H    _HN3    25     1.01460   119.41519     4.27049
   29    24 S   S    _SG2    35     1.83020   110.25579   -71.65435
   30    27 S   CT   _CA3    26     1.45396   122.62970  -177.78937
   31    30 S   HC   HA31    27     1.09558   108.12256   -52.18845
   32    30 S   HC   HA32    28     1.09580   107.22944    63.82835
   33    29 S   CT   _C9_    36     1.84900   101.13762   146.70199
   34    33 S   OM   _O34    37     1.31936   109.16972   177.76726
   35    30 S   CO3  _C3_    29     1.52890   114.22055  -173.59593
   36    35 S   O2Z  _O31    30     1.26439   115.91833    32.80600
   37    35 S   O2Z  _O32    31     1.26346   114.78634  -147.56789
   38    33 S   CM   _C8_    38     1.51622   112.34304    54.99225
   39    38 S   CMA  _C7_    39     1.35925   123.85784  -136.57901
   40    39 S   OM   _O36    40     1.26405   128.71791   171.07047
   41    38 S   OS   _O35    76     1.39980   116.27820    34.33736
   42    39 S   CM   _C6_    41     1.49558   118.67422    -9.15324
   43    41 S   CT   _C11    77     1.42543   111.31188    92.44575
   44    43 S   HC   _H6_    78     1.09412   107.75996   168.52486
   45    43 S   HC   _H7_    79     1.09541   111.95761    49.92393
   46    43 S   HC   _H8_    80     1.09389   110.86028   -73.79576
   47    42 S   CM   _C5_    42     1.35550   121.18760    19.86126
   48    42 S   CT   _C12    49     1.53963   119.16413  -158.99248
   49    48 S   HC   _H9_    50     1.09675   111.75021    23.29566
   50    48 S   HC   _H10    51     1.09451   108.46403   136.65087
   51    33 S   CO4  _C10    43     1.53659   108.40201   -67.89561
   52    51 S   O    _O33    44     1.23491   123.26273   -28.82336
   53    47 S   CT   _C4_    45     1.50386   127.29046   177.40807
   54    53 S   HC   _H3_    46     1.09566   110.10035   125.66628
   55    53 S   HC   _H4_    47     1.09029   114.13242     5.73750
   56    53 S   HC   _H5_    48     1.09493   110.26982  -114.89490
   57    48 S   CM   _C13    52     1.50920   111.87950   -99.03984
   58    57 S   HC   _H11    53     1.08739   113.50092    47.70520
   59    57 S   CM   _C14    54     1.34812   128.17735  -131.39248
   60    59 S   CT   _C15    55     1.50643   123.81962    -5.44219
   61    60 S   HC   _H12    56     1.09478   110.13597   109.91659
   62    60 S   HC   _H13    57     1.09203   113.58987   -11.59874
   63    60 S   HC   _H14    58     1.09570   109.95561  -130.78508
   64    59 S   CT   _C16    59     1.52240   122.83614   174.83229
   65    64 S   HC   _H15    60     1.09765   107.91694    97.98537
   66    64 S   HC   _H16    61     1.09916   108.21889  -147.72819
   67    64 S   CT   _C17    62     1.54009   118.22484   -25.75002
   68    67 S   HC   _H17    63     1.09249   109.84013    65.15768
   69    67 S   HC   _H18    64     1.09754   107.96211   179.96044
   70    67 S   CM   _C18    65     1.50672   112.45569   -61.73854
   71    70 S   HC   _H19    66     1.08969   114.02636   -53.45056
   72    70 S   CM   _C19    67     1.34709   128.23593   126.33519
   73    72 S   CT   _C20    68     1.50562   120.33012  -178.54116
   74    73 S   HC   _H20    69     1.09467   110.35214   123.63557
   75    73 S   HC   _H21    70     1.09501   112.47553     3.58108
   76    73 S   HC   _H22    71     1.09316   110.23951  -116.59293
   77    72 S   CT   _C21    72     1.50248   125.49583     1.20788
   78    77 S   HC   _H23    73     1.09419   109.98395   122.19627
   79    77 S   HC   _H24    74     1.09415   110.09655  -118.50997
   80    77 S   HC   _H25    75     1.09118   113.82947     2.19357
  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  12  11   4   6  13   3   2   1   1  10   9
   4   3   5   1   3   2   1   1  10   3  11   7   3   2   1   8
   5   4   7   4   3  10   3   8   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    51    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    51    52    53    41    43  
   38    39    47    51    52    41  
   36    37  
   37  
    0  
   39    40    42    47    51    52    48    41    43    44    45    46  
   40    42    47    51    53    48    49    50    57    41    43  
   42    47    48    41  
   43    44    45    46    42    51  
   47    51    52    53    54    55    56    48    49    50    57    58    59  
   44    45    46  
   45    46  
   46  
    0  
   51    52    53    54    55    56    48    49    50    57  
   49    50    57    58    59    60    64    51    53  
   50    57    58    59  
   57    58    59  
   52    53    54    55    56  
   53  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66    67  
   59    60    64  
   60    61    62    63    64    65    66    67    68    69    70  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.516200   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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   2.5000   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   570.000  1.307
   33    38   317.000  1.510
   33    51   317.000  1.522
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    47   549.000  1.340
   42    48   317.000  1.510
   47    51   320.000  1.462
   47    53   317.000  1.510
   51    52   570.000  1.229
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   317.000  1.510
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   317.000  1.510
   59    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   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   340.000  1.090
   41    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    47    65.00000  118.62400
   33    51    52    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  117.34000
   39    42    48    70.00000  124.00000
   42    39    40    65.00000  137.10300
   42    47    51    65.00000  118.96000
   42    47    53    70.00000  124.00000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    57    70.00000  110.12100
   47    51    52    80.00000  123.72100
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    35.00000  109.50000
   51    33    34    90.00000  108.74100
   51    33    38    70.00000  109.06800
   53    47    51    65.00000  116.34900
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   48    42    47    70.00000  124.00000
   48    57    58    35.00000  117.00000
   48    57    59    70.00000  124.00000
   50    48    49    33.00000  107.80000
   57    48    49    35.00000  109.50000
   57    48    50    35.00000  109.50000
   57    59    60    70.00000  124.00000
   57    59    64    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    65.00000  117.92700
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    51    47   0.65300  1.0 1.0
   29    33    51    47  -0.03850 -1.0 2.0
   29    33    51    47   0.33900  1.0 3.0
   29    33    51    52   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    43   2.00000 -1.0 2.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    51    47   0.65300  1.0 1.0
   34    33    51    47  -0.03850 -1.0 2.0
   34    33    51    47   0.33900  1.0 3.0
   34    33    51    52   0.30150 -1.0 2.0
   38    33    51    47   0.65300  1.0 1.0
   38    33    51    47  -0.03850 -1.0 2.0
   38    33    51    47   0.33900  1.0 3.0
   38    33    51    52   0.30150 -1.0 2.0
   38    39   -42    47   7.00000 -1.0 2.0
   38    39    42    48   7.00000 -1.0 2.0
   38    41    43    44   0.08050  1.0 3.0
   38    41    43    45   0.08050  1.0 3.0
   38    41    43    46   0.08050  1.0 3.0
   39    38    41    43  -2.26850  1.0 1.0
   39    38    41    43   3.39050 -1.0 2.0
   39    42    47    51   7.00000 -1.0 2.0
   39    42    47    53   7.00000 -1.0 2.0
   39    42    48    49   0.00000  1.0 1.0
   39    42    48    50   0.00000  1.0 1.0
   39    42    48    57  -0.28300  1.0 1.0
   39    42    48    57   0.26700 -1.0 2.0
   39    42    48    57  -0.63300  1.0 3.0
   40    39    42    47   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    47   -51    33  -0.33500  1.0 1.0
   42    47   -51    33   1.06600 -1.0 2.0
   42    47   -51    33  -0.14000  1.0 3.0
   42    47    51    52   1.00000 -1.0 2.0
   42    47    53    54   0.00000  1.0 1.0
   42    47    53    55   0.00000  1.0 1.0
   42    47    53    56   0.00000  1.0 1.0
   42    48    57    58   0.00000  1.0 1.0
   42    48    57    59  -0.28300  1.0 1.0
   42    48    57    59   0.26700 -1.0 2.0
   42    48    57    59  -0.63300  1.0 3.0
   47    42    48    49   0.00000  1.0 1.0
   47    42    48    50   0.00000  1.0 1.0
   47    42    48    57  -0.28300  1.0 1.0
   47    42    48    57   0.26700 -1.0 2.0
   47    42    48    57  -0.63300  1.0 3.0
   51    33   -38    39  -0.51250  1.0 1.0
   51    33   -38    39  -0.88800 -1.0 2.0
   51    33   -38    39   0.08850  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    47    53    54   0.15000  1.0 3.0
   51    47    53    55   0.15000  1.0 3.0
   51    47    53    56   0.15000  1.0 3.0
   53    47    51    33   0.25700  1.0 1.0
   53    47    51    33   0.66200 -1.0 2.0
   53    47    51    33   0.04450  1.0 3.0
   53    47    51    52  -0.64400  1.0 1.0
   53    47    51    52   0.26850 -1.0 2.0
   48    42    47    51   7.00000 -1.0 2.0
   48    42    47    53   7.00000 -1.0 2.0
   48    57    59    60   7.00000 -1.0 2.0
   48    57    59    64   7.00000 -1.0 2.0
   49    48    57    58   0.33100  1.0 3.0
   49    48    57    59   0.00000  1.0 1.0
   50    48    57    58   0.33100  1.0 3.0
   50    48    57    59   0.00000  1.0 1.0
   57    59    60    61   0.00000  1.0 1.0
   57    59    60    62   0.00000  1.0 1.0
   57    59    60    63   0.00000  1.0 1.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.09850  1.0 1.0
   57    59    64    67   0.15250 -1.0 2.0
   57    59    64    67  -0.50650  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    64   7.00000 -1.0 2.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.31000  1.0 1.0
   59    64    67    70   0.14700 -1.0 2.0
   59    64    67    70   0.07550  1.0 3.0
   60    59    64    65   0.34800  1.0 3.0
   60    59    64    66   0.34800  1.0 3.0
   60    59    64    67   0.46850  1.0 1.0
   60    59    64    67   0.08550 -1.0 2.0
   60    59    64    67   0.09800  1.0 3.0
   64    59    60    61   0.34800  1.0 3.0
   64    59    60    62   0.34800  1.0 3.0
   64    59    60    63   0.34800  1.0 3.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.09850  1.0 1.0
   64    67    70    72   0.15250 -1.0 2.0
   64    67    70    72  -0.50650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   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
   42    40    39    38   1.10000 -1.0 2.0
   39    48    42    47   1.10000 -1.0 2.0
   51    53    47    42   1.10000 -1.0 2.0
   33    47    51    52  10.50000 -1.0 2.0
   48    58    57    59  15.00000 -1.0 2.0
   60    64    59    57  15.00000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
