* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    161    248     458
    1     0 S   NP   _N1_     1    29.80514    96.61214   -17.32617
    2     1 S   H    _HN1     2     1.02968    91.39338    33.87412
    3     1 S   H    _H1_     3     1.02827    52.66274   144.24852
    4     1 S   H    _H2_     4     1.02769    65.87146   -75.68816
    5     1 S   CT   _CA1     5     1.50145   156.80305  -166.33733
    6     5 S   HC   _HA1     6     1.09569   105.21221    18.90221
    7     5 S   CO3  _C1_     7     1.53915   112.57780  -101.16471
    8     7 S   O2Z  _O11     8     1.26342   114.96596   -35.80238
    9     7 S   O2Z  _O12     9     1.26271   115.07718   143.41481
   10     5 S   CT   _CB1    10     1.53132   107.36422   136.93449
   11    10 S   HC   HB11    11     1.09806   109.54205   -49.09464
   12    10 S   HC   HB12    12     1.09805   110.29187    67.57823
   13    10 S   CT   _CG1    13     1.52842   112.52584  -170.20738
   14    13 S   HC   HG11    14     1.09519   110.11008   -61.17818
   15    13 S   HC   HG12    15     1.09641   110.17838    57.79006
   16    13 S   C    _CD1    16     1.51797   112.63024   178.21370
   17    16 S   O    _OE1    17     1.22661   123.43940   -11.83649
   18    16 S   N    _N2_    18     1.38548   111.27359   168.74623
   19    18 S   H    _HN2    19     1.01517   118.77737     1.81002
   20    18 S   CT1  _CA2    20     1.46015   123.99643  -178.48173
   21    20 S   HC   _HA2    21     1.09702   109.31227   -17.10030
   22    20 S   C    _C2_    22     1.53544   108.18655  -132.84680
   23    22 S   O    _O2_    23     1.23031   122.36120  -151.97977
   24    20 S   CT   _CB2    32     1.53480   111.39156   105.48138
   25    24 S   HC   HB21    33     1.09550   110.26197    53.15275
   26    24 S   HC   HB22    34     1.09524   110.35666   171.00842
   27    22 S   N    _N3_    24     1.38351   113.59246    35.24781
   28    27 S   H    _HN3    25     1.01647   119.43499    -2.51738
   29    24 S   S    _SG2    35     1.83017   112.59723   -70.62211
   30    27 S   CT   _CA3    26     1.45280   123.20251   177.84814
   31    30 S   HC   HA31    27     1.09545   107.40810   -67.51378
   32    30 S   HC   HA32    28     1.09558   108.11401    48.96598
   33    29 S   CT   _C20    36     1.82893   100.16713   125.60879
   34    33 S   HC   _H3_    37     1.09428   107.93241    45.36632
   35    33 S   HC   _H4_    38     1.09594   106.92795   159.98482
   36    30 S   CO3  _C3_    29     1.52939   114.05607   170.97886
   37    36 S   O2Z  _O31    30     1.26370   116.03151    -2.18463
   38    36 S   O2Z  _O32    31     1.26425   114.43011   177.88548
   39    33 S   CT   _C9_    39     1.53087   112.54646   -78.78056
   40    39 S   HC   _H31    40     1.09241   112.07669    38.36092
   41    39 S   CO4  _C4_    41     1.50647   112.27051   -82.51635
   42    41 S   O    _O18    42     1.22106   126.21713    43.13086
   43    41 S   OS   _O20    43     1.35954   109.90391  -138.32490
   44    43 S   CT   _C12    44     1.43692   110.96229    -1.93482
   45    44 S   HC   _H34    45     1.09373   107.37657   -98.05670
   46    39 S   CT   _C10    46     1.54192   112.30259   162.37267
   47    46 S   HC   _H32    47     1.09906   108.13073    33.06615
   48    44 S   C3T  _C13    63     1.49547   108.09863   141.07425
   49    48 S   HC   _H35    64     1.08237   112.93834   -97.97217
   50    46 S   CT   _C14    48     1.55003   110.73927   -85.54085
   51    50 S   HC   _H36    49     1.09858   105.05520    50.53536
   52    77 S   O3T  _O22    65     1.43349   115.41265  -147.14456
   53    50 S   CT   _C8_    50     1.54272   117.59379   166.31188
   54    53 S   HC   _H29    51     1.09854   107.58647  -167.27170
   55    53 S   HC   _H30    52     1.09758   108.16348   -53.34475
   56    50 S   OS   _O23    75     1.44364   109.69313   -65.10000
   57    53 S   C3T  _C16    53     1.51478   118.47092    72.35607
   58    56 S   CO4  _C5_    76     1.36258   118.19879   141.41411
   59    58 S   O    _O19    77     1.22298   126.43403    -0.35827
   60    57 S   C3T  _C11    54     1.53302   118.50287  -113.08228
   61    60 S   HC   _H33    55     1.08308   119.66418     5.24355
   62    57 S   CT   _C19    71     1.50275   117.25215    55.93510
   63    62 S   HC   _H43    72     1.09405   112.66821   162.21431
   64    62 S   HC   _H44    73     1.09514   110.35098    43.37896
   65    62 S   HC   _H45    74     1.09188   111.03978   -76.84657
   66    58 S   CT   _C17    78     1.49879   109.61451   178.30950
   67    66 S   HC   _H37    79     1.09231   109.66876   -76.83983
   68    66 S   HC   _H38    80     1.09375   109.28791   163.15257
   69    66 S   HC   _H39    81     1.09300   110.22239    44.78390
   70    60 S   CT   _C6_    56     1.49861   123.40269   159.28697
   71    70 S   HC   _H25    57     1.09653   108.51594   139.25471
   72    70 S   HC   _H26    58     1.09378   111.86353    22.28947
   73    57 S   O3T  _O21    70     1.45005   111.86508  -176.26189
   74    70 S   CT   _C7_    59     1.53511   111.78215  -101.13325
   75    74 S   HC   _H27    60     1.09637   109.43569   179.54976
   76    74 S   HC   _H28    61     1.09787   109.07410   -64.47463
   77    74 S   C3T  _C15    62     1.50673   111.81910    57.54935
   78    77 S   CT   _C18    66     1.49859   116.91542    79.43098
   79    78 S   HC   _H40    67     1.09340   112.44977   176.47080
   80    78 S   HC   _H41    68     1.09544   109.99309    57.16181
   81    78 S   HC   _H42    69     1.09229   111.22729   -61.98819
  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
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  12   6   9  13   6   5   7  11   5   4  13   6   5   3   2
   1   3   2   1   1   8   6   5   1   7   3   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    77    48    49    52  
   45    46    47    50    51    53    74    77    48    49    52    78    56  
   46    47    50    77    48    49    52  
   47    50    51    53    54    55    57    77    48    49    52    56    58  
   50    51    53    48    56  
   49    52    78    79    80    81    50    70    74    75    76    77  
   52    78    74    77  
   51    53    54    55    57    60    73    62    56    58    59    66  
   53    54    55    57    56    58  
   78    79    80    81    70    74    75    76    77  
   54    55    57    60    61    70    73    62    63    64    65    56    58  
   55    57    60    73    62    56  
   57    60    73    62    56  
   58    59    66    67    68    69    57  
   60    61    70    71    72    74    73    62    63    64    65  
   59    66    67    68    69  
   66    67    68    69  
   61    70    71    72    74    75    76    77    73    62    63    64    65  
   70    71    72    74    73    62  
   63    64    65    70    73  
   64    65    73  
   65    73  
   73  
   67    68    69  
   68    69  
   69  
    0  
   71    72    74    75    76    77    78    73  
   72    74    75    76    77    73  
   74    75    76    77    73  
   74  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   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   0.047500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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    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   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   275.000  1.510
   57    60   260.000  1.509
   57    73   335.000  1.432
   57    62   275.000  1.510
   60    61   340.000  1.088
   60    70   275.000  1.510
   60    73   335.000  1.432
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   275.000  1.510
   77    48   260.000  1.509
   77    52   335.000  1.432
   77    78   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    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    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    77    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.37300
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    60.00000  120.94000
   53    57    73    80.00000  116.47100
   53    57    62    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    45.00000  109.38400
   57    53    55    45.00000  109.38400
   57    60    61    37.50000  117.20000
   57    60    70    60.00000  120.94000
   57    60    73    15.00000   60.43100
   57    73    60    15.00000   59.14900
   57    62    63    45.00000  109.38400
   57    62    64    45.00000  109.38400
   57    62    65    45.00000  109.38400
   60    70    71    45.00000  109.38400
   60    70    72    45.00000  109.38400
   60    70    74    70.00000  112.37300
   70    60    61    40.00000  115.04500
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    70.00000  112.37300
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    77    48    60.00000  120.94000
   74    77    52    80.00000  116.47100
   74    77    78    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    45.00000  109.38400
   77    74    76    45.00000  109.38400
   77    48    49    37.50000  117.20000
   77    48    52    15.00000   60.43100
   77    52    48    15.00000   59.14900
   77    78    79    45.00000  109.38400
   77    78    80    45.00000  109.38400
   77    78    81    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    77    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   78    77    48    60.00000  120.94000
   78    77    52    80.00000  116.47100
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   73    57    60    15.00000   60.43100
   73    60    61    50.00000  114.27700
   73    60    70    80.00000  116.47100
   62    57    60    60.00000  120.94000
   62    57    73    80.00000  116.47100
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    77  -0.26800  1.0 1.0
   43    44    48    77   0.69150 -1.0 2.0
   43    44    48    77  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    77   0.06250  1.0 1.0
   44    48   -52    77  -0.01100 -1.0 2.0
   44    48   -52    77   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    77   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    77   0.07850  1.0 1.0
   46    44    48    77  -0.03950 -1.0 2.0
   46    44    48    77   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.47050  1.0 1.0
   46    50    53    57   0.03900 -1.0 2.0
   46    50    53    57   0.20100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.07850  1.0 1.0
   50    53    57    60  -0.03950 -1.0 2.0
   50    53    57    60   0.67350  1.0 3.0
   50    53    57    73   0.02550  1.0 1.0
   50    53    57    73  -0.02600 -1.0 2.0
   50    53    57    73   1.20400  1.0 3.0
   50    53    57    62   0.56750  1.0 1.0
   50    53    57    62  -0.07550 -1.0 2.0
   50    53    57    62   0.20000  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    66   1.63150  1.0 1.0
   50    56    58    66   2.92000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    70   0.56750  1.0 1.0
   53    57    60    70  -0.07550 -1.0 2.0
   53    57    60    70   0.20000  1.0 3.0
   53    57   -60    73   0.02550  1.0 1.0
   53    57   -60    73  -0.02600 -1.0 2.0
   53    57   -60    73   1.20400  1.0 3.0
   53    57   -73    60   0.06250  1.0 1.0
   53    57   -73    60  -0.01100 -1.0 2.0
   53    57   -73    60   0.28050  1.0 3.0
   53    57    62    63   0.15000  1.0 3.0
   53    57    62    64   0.15000  1.0 3.0
   53    57    62    65   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    73   0.23400  1.0 3.0
   54    53    57    62   0.15000  1.0 3.0
   55    53    57    60   0.15000  1.0 3.0
   55    53    57    73   0.23400  1.0 3.0
   55    53    57    62   0.15000  1.0 3.0
   57    60    70    71   0.15000  1.0 3.0
   57    60    70    72   0.15000  1.0 3.0
   57    60    70    74   0.07850  1.0 1.0
   57    60    70    74  -0.03950 -1.0 2.0
   57    60    70    74   0.67350  1.0 3.0
   60    57    62    63   0.15000  1.0 3.0
   60    57    62    64   0.15000  1.0 3.0
   60    57    62    65   0.15000  1.0 3.0
   60    70    74    75   0.15000  1.0 3.0
   60    70    74    76   0.15000  1.0 3.0
   60    70    74    77   0.47050  1.0 1.0
   60    70    74    77   0.03900 -1.0 2.0
   60    70    74    77   0.20100  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    72   0.15000  1.0 3.0
   61    60    70    74   0.15000  1.0 3.0
   61    60   -73    57   0.36800  1.0 3.0
   70    60   -73    57   0.06250  1.0 1.0
   70    60   -73    57  -0.01100 -1.0 2.0
   70    60   -73    57   0.28050  1.0 3.0
   70    74    77    48   0.07850  1.0 1.0
   70    74    77    48  -0.03950 -1.0 2.0
   70    74    77    48   0.67350  1.0 3.0
   70    74    77    52   0.02550  1.0 1.0
   70    74    77    52  -0.02600 -1.0 2.0
   70    74    77    52   1.20400  1.0 3.0
   70    74    77    78   0.56750  1.0 1.0
   70    74    77    78  -0.07550 -1.0 2.0
   70    74    77    78   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.15000  1.0 3.0
   74    77    48    44   0.56750  1.0 1.0
   74    77    48    44  -0.07550 -1.0 2.0
   74    77    48    44   0.20000  1.0 3.0
   74    77    48    49   0.15000  1.0 3.0
   74    77   -48    52   0.02550  1.0 1.0
   74    77   -48    52  -0.02600 -1.0 2.0
   74    77   -48    52   1.20400  1.0 3.0
   74    77   -52    48   0.06250  1.0 1.0
   74    77   -52    48  -0.01100 -1.0 2.0
   74    77   -52    48   0.28050  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   75    74    77    48   0.15000  1.0 3.0
   75    74    77    52   0.23400  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   76    74    77    48   0.15000  1.0 3.0
   76    74    77    52   0.23400  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    77    78    79   0.15000  1.0 3.0
   48    77    78    80   0.15000  1.0 3.0
   48    77    78    81   0.15000  1.0 3.0
   49    48   -52    77   0.36800  1.0 3.0
   52    77   -48    44   0.02550  1.0 1.0
   52    77   -48    44  -0.02600 -1.0 2.0
   52    77   -48    44   1.20400  1.0 3.0
   52    77   -48    49   0.23400  1.0 3.0
   52    77    78    79   0.23400  1.0 3.0
   52    77    78    80   0.23400  1.0 3.0
   52    77    78    81   0.23400  1.0 3.0
   78    77    48    44   0.56750  1.0 1.0
   78    77    48    44  -0.07550 -1.0 2.0
   78    77    48    44   0.20000  1.0 3.0
   78    77    48    49   0.15000  1.0 3.0
   78    77   -48    52   0.02550  1.0 1.0
   78    77   -48    52  -0.02600 -1.0 2.0
   78    77   -48    52   1.20400  1.0 3.0
   78    77   -52    48   0.06250  1.0 1.0
   78    77   -52    48  -0.01100 -1.0 2.0
   78    77   -52    48   0.28050  1.0 3.0
   73    57   -60    61   0.23400  1.0 3.0
   73    57   -60    70   0.02550  1.0 1.0
   73    57   -60    70  -0.02600 -1.0 2.0
   73    57   -60    70   1.20400  1.0 3.0
   73    57    62    63   0.23400  1.0 3.0
   73    57    62    64   0.23400  1.0 3.0
   73    57    62    65   0.23400  1.0 3.0
   73    60    70    71   0.23400  1.0 3.0
   73    60    70    72   0.23400  1.0 3.0
   73    60    70    74   0.02550  1.0 1.0
   73    60    70    74  -0.02600 -1.0 2.0
   73    60    70    74   1.20400  1.0 3.0
   62    57    60    61   0.15000  1.0 3.0
   62    57    60    70   0.56750  1.0 1.0
   62    57    60    70  -0.07550 -1.0 2.0
   62    57    60    70   0.20000  1.0 3.0
   62    57   -60    73   0.02550  1.0 1.0
   62    57   -60    73  -0.02600 -1.0 2.0
   62    57   -60    73   1.20400  1.0 3.0
   62    57   -73    60   0.06250  1.0 1.0
   62    57   -73    60  -0.01100 -1.0 2.0
   62    57   -73    60   0.28050  1.0 3.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57  -0.26800  1.0 1.0
   56    50    53    57   0.69150 -1.0 2.0
   56    50    53    57  -0.48750  1.0 3.0
   56    58    66    67   0.00000  1.0 1.0
   56    58    66    68   0.00000  1.0 1.0
   56    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
END
