* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    152    227     437
    1     0 S   NP   _N1_     1    29.13499    93.19069   -24.08582
    2     1 S   H    _HN1     2     1.02831    20.27247  -172.75774
    3     1 S   H    _H1_     3     1.02783   109.23976   -83.17921
    4     1 S   H    _H2_     4     1.02958    87.83689    25.47010
    5     1 S   CT   _CA1     5     1.50136   125.35973   139.17241
    6     5 S   HC   _HA1     6     1.09566   105.26763    75.37527
    7     5 S   CO3  _C1_     7     1.53793   112.34572   -44.98940
    8     7 S   O2Z  _O11     8     1.26374   114.99948   -44.72604
    9     7 S   O2Z  _O12     9     1.26235   114.93441   134.43051
   10     5 S   CT   _CB1    10     1.53042   107.37614  -166.61491
   11    10 S   HC   HB11    11     1.09817   109.39762   -49.81560
   12    10 S   HC   HB12    12     1.09795   110.29195    66.81513
   13    10 S   CT   _CG1    13     1.52964   112.78383  -170.90651
   14    13 S   HC   HG11    14     1.09590   110.48894   -63.03163
   15    13 S   HC   HG12    15     1.09650   109.98274    56.22938
   16    13 S   C    _CD1    16     1.51821   112.20053   176.60944
   17    16 S   O    _OE1    17     1.22760   123.33681    -0.61230
   18    16 S   N    _N2_    18     1.38619   111.70706   179.27964
   19    18 S   H    _HN2    19     1.01608   119.06861     0.82020
   20    18 S   CT1  _CA2    20     1.46092   123.20006   179.88465
   21    20 S   HC   _HA2    21     1.09581   109.13573   -11.92653
   22    20 S   C    _C2_    22     1.53388   108.62461  -126.96613
   23    22 S   O    _O2_    23     1.23025   122.32872  -148.99579
   24    20 S   CT   _CB2    32     1.53372   111.80176   110.45112
   25    24 S   HC   HB21    33     1.09652   109.58577    61.30455
   26    24 S   HC   HB22    34     1.09564   111.02581   178.75243
   27    22 S   N    _N3_    24     1.38354   113.45000    38.66880
   28    27 S   H    _HN3    25     1.01649   119.48327    -3.79591
   29    24 S   S    _SG2    35     1.82841   114.34812   -58.36615
   30    27 S   CT   _CA3    26     1.45289   123.15302   176.86837
   31    30 S   HC   HA31    27     1.09551   107.58872   -62.61647
   32    30 S   HC   HA32    28     1.09558   107.88531    53.79658
   33    29 S   CT   _C18    36     1.82610    99.83603   -70.78123
   34    33 S   HC   _H19    37     1.09464   107.82869   -60.77060
   35    33 S   HC   _H20    38     1.09244   109.19981    57.84519
   36    30 S   CO3  _C3_    29     1.52941   114.10053   175.76451
   37    36 S   O2Z  _O31    30     1.26371   116.03009     0.43205
   38    36 S   O2Z  _O32    31     1.26425   114.42243  -179.54030
   39    33 S   CT   _C11    39     1.52799   110.27996   178.56237
   40    39 S   HC   _H6_    40     1.09860   110.00749   -52.45830
   41    39 S   CT   _C10    41     1.52412   112.77283  -175.80810
   42    41 S   HC   _H5_    42     1.09699   110.94636   -42.43411
   43    41 S   CT   _C9_    43     1.51942   101.72857  -158.67165
   44    43 S   HC   _H4_    44     1.09511   113.22237   159.21127
   45    41 S   OH   _O36    82     1.41262   113.08708    80.35229
   46    45 S   HO   _H21    83     0.97255   107.90740   -65.28046
   47    43 S   CO   _C12    45     1.52914   101.83794    36.92069
   48    47 S   HC   _H7_    46     1.09619   112.49351  -141.27834
   49    43 S   OS   _O34    62     1.44646   109.97559   -76.54909
   50    47 S   N*   _N4_    47     1.45347   113.24853    97.07939
   51    39 S   OS   _O35    61     1.43995   110.57841    67.49949
   52    49 S   CO4  _C8_    63     1.36290   117.60774  -100.93318
   53    52 S   O    _O33    64     1.22375   126.35382    -3.01259
   54    50 S   CRAB _C13    48     1.36852   127.79792   -97.04800
   55    54 S   HA   _H15    49     1.08161   122.91927    -0.51738
   56    52 S   CT1  _C7_    65     1.51495   109.49546   176.69969
   57    56 S   HC   _H3_    66     1.09572   108.47570    48.59411
   58    54 S   NNA  _N5_    50     1.31664   112.05360   179.46771
   59    56 S   CTG  _C6_    67     1.53411   112.14481   -73.56513
   60    59 S   HC   _H13    68     1.09822   108.44954   172.39659
   61    59 S   HC   _H14    69     1.09700   108.33359    57.19250
   62    56 S   NP   _N9_    78     1.49397   110.44586   163.07910
   63    62 S   H    _H22    79     1.02927   110.92456   -63.87826
   64    62 S   H    _H23    80     1.02876   111.88530   176.38686
   65    62 S   H    _H24    81     1.02926   111.93614    55.04876
   66    58 S   C56B _C14    51     1.37521   105.07655    -0.03956
   67    59 S   CT   _C5_    70     1.53159   114.33598   -65.52912
   68    67 S   HC   _H11    71     1.09414   111.85702    55.91541
   69    67 S   HC   _H12    72     1.09428   110.14724   -63.41907
   70    50 S   C56A _C15    52     1.37005   125.01216    82.20895
   71    67 S   S    _S1_    73     1.82337   111.53968   178.59779
   72    70 S   NB   _N6_    53     1.34222   127.74419     0.17804
   73    71 S   CT   _C4_    74     1.80894    99.44064   -80.64326
   74    73 S   HC   _H8_    75     1.09276   108.78052  -176.85191
   75    73 S   HC   _H9_    76     1.09243   110.98738    63.85278
   76    73 S   HC   _H10    77     1.09272   110.43601   -58.27174
   77    72 S   CQ   _C16    54     1.34756   110.59032  -179.90309
   78    77 S   HA   _H16    55     1.08493   115.80103  -179.87805
   79    77 S   NB   _N7_    56     1.35363   128.66255     0.13270
   80    66 S   CA   _C17    57     1.40354   131.81428  -179.86878
   81    80 S   NND  _N8_    58     1.38115   122.23930    -0.19180
   82    81 S   H    _H17    59     1.01082   120.41091    -0.05935
   83    81 S   H    _H18    60     1.01018   119.35441   179.97202
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  13   7   4   1  11   5
   8   9   2  11   4   6   3  12   8   6  11   6   5   4   2   1
   1   8   7   3   2   6   4   4   3   2   1   1   4   2   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    51    45  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    50    51    49    45    46  
   41    42    43    47    51    45  
   42    43    44    47    48    50    51    49    52    45    46  
   43    44    47    51    49    45    46  
   44    47    48    50    54    70    51    49    52    53    56    45    46  
   47    48    50    51    49    52    45  
   46    47    49    51  
    0  
   48    50    54    55    58    66    70    72    51    49    52  
   50    54    70    51    49  
   52    53    56    57    59    62    50    51  
   54    55    58    66    70    72    77    80    51  
   54    70  
   53    56    57    59    60    61    67    62    63    64    65  
   56    57    59    62  
   55    58    66    70    72    80  
   58    66    70  
   57    59    60    61    67    68    69    71    62    63    64    65  
   59    60    61    67    62    63    64    65  
   66    70    72    79    80    81  
   60    61    67    68    69    71    73    62    63    64    65  
   61    67    68    69    71    62  
   67    68    69    71    62  
   63    64    65    67  
   64    65  
   65  
    0  
   70    72    77    79    80    81    82    83  
   68    69    71    73    74    75    76  
   69    71    73  
   71    73  
   72    77    78    79    80    81  
   73    74    75    76  
   77    78    79    80  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   72   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5000   0.0660  -0.012500   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   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   79   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   80   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   82   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.370000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    50   275.000  1.479
   47    51   320.000  1.380
   50    54   440.000  1.371
   50    70   436.000  1.374
   54    55   367.000  1.080
   54    58   529.000  1.304
   58    66   414.000  1.391
   66    70   447.000  1.419
   66    80   469.000  1.404
   70    72   461.000  1.354
   72    77   502.000  1.324
   77    78   367.000  1.080
   77    79   502.000  1.324
   79    80   483.000  1.339
   80    81   481.000  1.340
   81    82   434.000  1.010
   81    83   434.000  1.010
   49    52   214.000  1.327
   52    53   570.000  1.229
   52    56   255.000  1.522
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    62   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   222.000  1.810
   71    73   222.000  1.810
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   62    63   434.000  1.010
   62    64   434.000  1.010
   62    65   434.000  1.010
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    50    75.00000  107.44000
   43    47    51    90.00000  108.56700
   43    49    52    83.00000  116.90000
   47    43    44    45.00000  108.72000
   47    50    54    70.00000  128.80000
   47    50    70    70.00000  125.80000
   50    47    48    55.00000  103.44000
   50    54    55    35.00000  123.05000
   50    54    58    70.00000  113.90000
   50    70    66    70.00000  106.20000
   50    70    72    70.00000  126.20000
   54    58    66    70.00000  103.80000
   58    54    55    35.00000  123.05000
   58    66    70    70.00000  110.40000
   58    66    80    70.00000  132.40000
   66    70    72    70.00000  127.70000
   66    80    79    70.00000  117.30000
   66    80    81    70.00000  123.50000
   70    50    54    70.00000  105.40000
   70    72    77    70.00000  111.00000
   72    77    78    35.00000  115.45000
   72    77    79    70.00000  129.10000
   77    79    80    70.00000  118.60000
   79    77    78    35.00000  115.45000
   79    80    81    70.00000  119.30000
   80    66    70    85.00000  116.20000
   80    81    82    35.00000  120.00000
   80    81    83    35.00000  120.00000
   83    81    82    35.00000  120.00000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    47    48    35.00000  109.50000
   51    47    50   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  109.38000
   49    52    53    83.00000  123.40000
   49    52    56    90.00000  109.72300
   52    56    57    45.00000  110.09800
   52    56    59    63.00000  111.10000
   52    56    62    85.00000  107.27000
   56    52    53    75.00000  123.42600
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    67    58.35000  112.70000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   59    56    57    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    71    50.00000  114.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    71    73    62.00000   98.90000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    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
   62    56    57    35.00000  109.50000
   62    56    59    80.00000  111.20000
   64    62    63    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    51    47   0.06250  1.0 1.0
   33    39    51    47  -0.01100 -1.0 2.0
   33    39    51    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.62750  1.0 1.0
   39    41    43    49  -0.30950 -1.0 2.0
   39    41    43    49   0.27300  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    51    47   0.37050  1.0 3.0
   41    39   -51    47   0.06250  1.0 1.0
   41    39   -51    47  -0.01100 -1.0 2.0
   41    39   -51    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    50  -0.64600  1.0 1.0
   41    43    47    50   0.58400 -1.0 2.0
   41    43   -47    51   0.62750  1.0 1.0
   41    43   -47    51  -0.30950 -1.0 2.0
   41    43   -47    51   0.27300  1.0 3.0
   41    43    49    52  -0.25900  1.0 1.0
   41    43    49    52  -0.47000 -1.0 2.0
   41    43    49    52   0.11750  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    50    54   1.10250  1.0 1.0
   43    47    50    54   0.01650 -1.0 2.0
   43    47    50    54   0.39100  1.0 3.0
   43    47    50    70   1.10250  1.0 1.0
   43    47    50    70   0.01650 -1.0 2.0
   43    47    50    70   0.39100  1.0 3.0
   43    47   -51    39   0.06250  1.0 1.0
   43    47   -51    39  -0.01100 -1.0 2.0
   43    47   -51    39   0.28050  1.0 3.0
   43    49    52    53   3.00000 -1.0 2.0
   43    49    52    56   1.63150  1.0 1.0
   43    49    52    56   2.92000 -1.0 2.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   44    43    49    52   0.08050  1.0 3.0
   47    43    49    52  -0.25900  1.0 1.0
   47    43    49    52  -0.47000 -1.0 2.0
   47    43    49    52   0.11750  1.0 3.0
   47    50    54    55   3.62500 -1.0 2.0
   47    50    54    58   3.62500 -1.0 2.0
   47    50    70    66   0.81400  1.0 1.0
   47    50    70    66   1.55550 -1.0 2.0
   47    50    70    72   3.62500 -1.0 2.0
   48    47    50    54   0.00000  1.0 1.0
   48    47    50    70   0.00000  1.0 1.0
   48    47    51    39   0.37050  1.0 3.0
   50    47    51    39  -2.37750  1.0 1.0
   50    47    51    39  -0.08150 -1.0 2.0
   50    47    51    39   0.59000  1.0 3.0
   50    54   -58    66   3.62500 -1.0 2.0
   50    70    72    77   3.62500 -1.0 2.0
   54    50   -70    66   0.70250  1.0 1.0
   54    50   -70    66   1.56150 -1.0 2.0
   54    50    70    72   3.62500 -1.0 2.0
   54    58   -66    70   3.62500 -1.0 2.0
   54    58    66    80   3.62500 -1.0 2.0
   55    54    58    66   3.62500 -1.0 2.0
   58    66   -70    50   3.62500 -1.0 2.0
   58    66    70    72   3.62500 -1.0 2.0
   58    66    80    79   3.62500 -1.0 2.0
   58    66    80    81   3.62500 -1.0 2.0
   66    70    72    77   3.62500 -1.0 2.0
   66    80    81    82   0.70000 -1.0 2.0
   66    80    81    83   0.70000 -1.0 2.0
   70    50    54    55   3.62500 -1.0 2.0
   70    50   -54    58   3.62500 -1.0 2.0
   70    66    80    79   3.62500 -1.0 2.0
   70    66    80    81   3.62500 -1.0 2.0
   70    72    77    78   3.62500 -1.0 2.0
   70    72   -77    79   3.62500 -1.0 2.0
   72    77    79    80   3.62500 -1.0 2.0
   77    79   -80    66   3.62500 -1.0 2.0
   77    79    80    81   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    80    81    82   0.70000 -1.0 2.0
   79    80    81    83   0.70000 -1.0 2.0
   80    66    70    50   3.00000 -1.0 2.0
   80    66   -70    72   3.62500 -1.0 2.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    45   3.69350  1.0 1.0
   51    39    41    45  -1.82950 -1.0 2.0
   51    47    50    54   0.10350  1.0 1.0
   51    47    50    54  -0.15350 -1.0 2.0
   51    47    50    70   0.10350  1.0 1.0
   51    47    50    70  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50  -0.86350  1.0 1.0
   49    43    47    50   0.04750 -1.0 2.0
   49    43    47    51   1.11900  1.0 1.0
   49    43    47    51  -1.16350 -1.0 2.0
   49    43    47    51  -0.34150  1.0 3.0
   49    52    56    57   0.00000  1.0 1.0
   49    52    56    59   0.36750  1.0 3.0
   49    52    56    62   0.40000  1.0 3.0
   52    56    59    60  -0.03800  1.0 3.0
   52    56    59    61  -0.03800  1.0 3.0
   52    56    59    67   0.19200  1.0 1.0
   52    56    59    67  -0.38100 -1.0 2.0
   52    56    62    63   0.17350  1.0 3.0
   52    56    62    64   0.17350  1.0 3.0
   52    56    62    65   0.17350  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    62   0.00000  1.0 1.0
   56    59    67    68   0.15000  1.0 3.0
   56    59    67    69   0.15000  1.0 3.0
   56    59    67    71   1.30950  1.0 1.0
   56    59    67    71  -0.31000 -1.0 2.0
   56    59    67    71   0.12900  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    67   0.15000  1.0 3.0
   57    56    62    63   0.13050  1.0 3.0
   57    56    62    64   0.13050  1.0 3.0
   57    56    62    65   0.13050  1.0 3.0
   59    56    62    63   0.17350  1.0 3.0
   59    56    62    64   0.17350  1.0 3.0
   59    56    62    65   0.17350  1.0 3.0
   59    67    71    73   0.46250  1.0 1.0
   59    67    71    73  -0.28800 -1.0 2.0
   59    67    71    73   0.33850  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    71   0.22600  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    71   0.22600  1.0 3.0
   67    71    73    74   0.32350  1.0 3.0
   67    71    73    75   0.32350  1.0 3.0
   67    71    73    76   0.32350  1.0 3.0
   68    67    71    73   0.32350  1.0 3.0
   69    67    71    73   0.32350  1.0 3.0
   62    56    59    60   0.23200  1.0 3.0
   62    56    59    61   0.23200  1.0 3.0
   62    56    59    67   0.74650  1.0 1.0
   62    56    59    67   0.09950 -1.0 2.0
   62    56    59    67  -0.04900  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.69350  1.0 1.0
   45    41    43    49  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   54    70    50    47   4.00000 -1.0 2.0
   58    55    54    50   1.10000 -1.0 2.0
   70    80    66    58   4.00000 -1.0 2.0
   66    72    70    50   4.00000 -1.0 2.0
   79    78    77    72   1.10000 -1.0 2.0
   79    81    80    66   4.00000 -1.0 2.0
   83    80    81    82   1.00000 -1.0 2.0
   49    56    52    53  10.50000 -1.0 2.0
END
