* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    164    250     469
    1     0 S   NP   _N1_     1    28.66946    95.07261   -20.32406
    2     1 S   H    _HN1     2     1.02773    87.70599   -64.14916
    3     1 S   H    _H1_     3     1.02956    90.08632    44.26296
    4     1 S   H    _H2_     4     1.02836    32.76315   166.68457
    5     1 S   CT   _CA1     5     1.50182   143.41209   170.14256
    6     5 S   HC   _HA1     6     1.09577   105.14218    57.02399
    7     5 S   CO3  _C1_     7     1.53777   112.53736   -62.90590
    8     7 S   O2Z  _O11     8     1.26356   114.96238   -37.12182
    9     7 S   O2Z  _O12     9     1.26227   114.96228   141.94496
   10     5 S   CT   _CB1    10     1.53110   107.37244   174.87845
   11    10 S   HC   HB11    11     1.09814   109.14014   -50.12860
   12    10 S   HC   HB12    12     1.09833   110.41578    66.36827
   13    10 S   CT   _CG1    13     1.53033   112.83929  -171.33628
   14    13 S   HC   HG11    14     1.09597   110.22371   -66.47901
   15    13 S   HC   HG12    15     1.09646   110.11949    52.71681
   16    13 S   C    _CD1    16     1.51887   112.39305   172.82258
   17    16 S   O    _OE1    17     1.22725   123.23142    -6.94534
   18    16 S   N    _N2_    18     1.38634   111.66642   173.53862
   19    18 S   H    _HN2    19     1.01606   118.88681     0.44455
   20    18 S   CT1  _CA2    20     1.46296   123.56513  -178.51470
   21    20 S   HC   _HA2    21     1.09739   109.21820   -18.60958
   22    20 S   C    _C2_    22     1.53428   108.08845  -134.20441
   23    22 S   O    _O2_    23     1.23001   122.31928  -145.44710
   24    20 S   CT   _CB2    32     1.53652   111.60011   103.67819
   25    24 S   HC   HB21    33     1.09463   109.67914    54.12649
   26    24 S   HC   HB22    34     1.09489   110.22232   172.73818
   27    22 S   N    _N3_    24     1.38530   113.27726    41.88481
   28    27 S   H    _HN3    25     1.01536   118.91311    -0.53959
   29    24 S   S    _SG2    35     1.82951   111.53816   -68.28386
   30    27 S   CT   _CA3    26     1.45450   123.44624   175.09599
   31    30 S   HC   HA31    27     1.09523   109.23119    24.37601
   32    30 S   HC   HA32    28     1.09494   107.11932   141.38905
   33    29 S   CT   _C18    36     1.85025   101.73297   155.83430
   34    30 S   CO3  _C3_    29     1.52930   113.13688   -99.09205
   35    34 S   O2Z  _O31    30     1.26401   115.42342   -43.71708
   36    34 S   O2Z  _O32    31     1.26357   114.96782   137.21780
   37    33 S   CT   _C13    37     1.56085   116.45424   -62.24713
   38    37 S   HC   _H34    38     1.09742   109.49957    94.31896
   39    33 S   CT   _C23    85     1.54703   107.64160    61.92525
   40    39 S   HC   _H50    86     1.09644   111.51874    55.90295
   41    39 S   HC   _H51    87     1.09524   111.90800   -65.38860
   42    39 S   HC   _H52    88     1.09545   111.96039   175.57561
   43    37 S   CO4  _C4_    39     1.52505   100.86460  -151.82503
   44    43 S   O    _O22    40     1.22590   123.96785  -164.96142
   45    37 S   CT   _C24    73     1.54112   117.77908   -32.62296
   46    45 S   HC   _H53    74     1.09201   110.20953    55.23012
   47    45 S   HC   _H54    75     1.09307   110.14036   -63.01075
   48    43 S   CT   _C12    41     1.50855   113.23259    14.13504
   49    48 S   HC   _H32    42     1.09269   109.88628   129.93462
   50    48 S   HC   _H33    43     1.09340   108.48594  -108.78648
   51    45 S   CM   _C9_    76     1.50849   112.11445   172.77200
   52    51 S   HC   _H31    77     1.08956   115.37739   -43.23293
   53    33 S   CT   _C16    44     1.55476   109.27299  -179.55457
   54    53 S   HC   _H37    45     1.09716   111.57944   -74.86013
   55    51 S   CM   _C7_    78     1.34214   128.13460   137.18987
   56    55 S   HC   _H29    79     1.08895   117.23356  -179.30283
   57    53 S   OS   _O24    46     1.44414   110.82404    47.88339
   58    55 S   CM   _C6_    80     1.44295   126.68261     2.08347
   59    58 S   HC   _H28    81     1.08415   118.72713     3.45848
   60    57 S   CO4  _C11    47     1.36009   117.21986  -157.27874
   61    60 S   O    _O23    48     1.22216   126.95901    -1.28877
   62    58 S   CM   _C5_    82     1.33800   123.20072  -177.85853
   63    62 S   HC   _H26    83     1.08523   120.12621  -178.95695
   64    62 S   HC   _H27    84     1.08470   122.18600     0.54572
   65    60 S   C3T  _C15    49     1.47886   110.56023   177.61640
   66    65 S   HC   _H36    50     1.08722   112.65399   -71.07968
   67    65 S   C3T  _C14    51     1.51447   120.44431   144.57834
   68    67 S   HC   _H35    52     1.08680   116.64684    -2.04335
   69    65 S   C3T  _C17    53     1.51959   120.55982    73.52287
   70    67 S   CM   _C8_    62     1.47037   118.96766   138.83792
   71    70 S   HC   _H30    63     1.08889   115.06453   -29.86502
   72    69 S   CT   _C21    54     1.50926   116.44036  -138.03891
   73    72 S   HC   _H44    55     1.09413   109.84287    87.38674
   74    72 S   HC   _H45    56     1.09499   112.73730   -32.13382
   75    72 S   HC   _H46    57     1.09480   110.48810  -153.18429
   76    69 S   CT   _C22    58     1.51004   119.89388     4.67965
   77    76 S   HC   _H47    59     1.09402   110.43664   -78.57808
   78    76 S   HC   _H48    60     1.09508   110.24688   161.79356
   79    76 S   HC   _H49    61     1.09514   112.41438    41.92088
   80    70 S   CM   _C10    64     1.34710   127.31975   150.98142
   81    80 S   CT   _C19    65     1.50322   121.22811   179.85065
   82    81 S   HC   _H38    66     1.09490   110.23626   120.17358
   83    81 S   HC   _H39    67     1.09488   110.26445  -120.00451
   84    81 S   HC   _H40    68     1.09506   112.33218     0.10468
   85    80 S   CT   _C20    69     1.50264   123.70713    -0.23656
   86    85 S   HC   _H41    70     1.09500   110.14006   121.61635
   87    85 S   HC   _H42    71     1.09494   110.11826  -118.84197
   88    85 S   HC   _H43    72     1.09369   113.00643     1.48990
  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  13   5   4   3
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   6   3   5   2   6   3   6   4   3   9   4   2   1   1
  15   6  15   6  11  12   3   7   3   2   1   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    57    60    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    57    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    57  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    57    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    58    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    57    60  
   50    53    54    57  
   53    54    57  
   52    55    56    58    59    62  
   55    56    58  
   54    57    60    61    65  
   57    60  
   56    58    59    62    63    64  
   58    59    62  
   60    61    65    66    67    69  
   59    62    63    64  
   62    63    64  
   61    65    66    67    68    69    72    76    70  
   65    66    67    69  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    75    76    77    78    79    70    71    80  
   67    68    69    72    76    70  
   68    69    72    73    74    75    76    77    78    79    70    71    80    81    85  
   69    72    76    70    71    80  
   72    73    74    75    76    77    78    79    70    71    80  
   71    80    81    82    83    84    85    86    87    88    72    76  
   80    81    85  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    60   214.000  1.327
   60    61   570.000  1.229
   60    65   290.000  1.496
   65    66   340.000  1.088
   65    67   260.000  1.509
   65    69   260.000  1.509
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    70   305.000  1.480
   69    72   275.000  1.510
   69    76   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    71   340.000  1.080
   70    80   549.000  1.340
   80    81   317.000  1.510
   80    85   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    58   380.000  1.444
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    60    83.00000  116.90000
   57    53    54    35.00000  109.50000
   57    60    61    83.00000  123.40000
   57    60    65    81.00000  111.40000
   60    65    66    40.00000  116.18000
   60    65    67    65.00000  117.18000
   60    65    69    65.00000  117.18000
   65    60    61    75.00000  121.36600
   65    67    68    37.50000  117.20000
   65    67    69    10.00000   60.00500
   65    67    70    60.00000  120.58800
   65    69    67    10.00000   60.00500
   65    69    72    60.00000  120.94000
   65    69    76    60.00000  120.94000
   67    65    66    37.50000  117.20000
   67    69    72    60.00000  120.94000
   67    69    76    60.00000  120.94000
   67    70    71    40.00000  117.24000
   67    70    80    55.00000  125.06700
   69    65    66    37.50000  117.20000
   69    65    67    10.00000   60.00500
   69    67    68    37.50000  117.20000
   69    72    73    45.00000  109.38400
   69    72    74    45.00000  109.38400
   69    72    75    45.00000  109.38400
   69    76    77    45.00000  109.38400
   69    76    78    45.00000  109.38400
   69    76    79    45.00000  109.38400
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    69    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    67    68    40.00000  112.45000
   70    67    69    60.00000  120.58800
   70    80    81    70.00000  124.00000
   70    80    85    70.00000  124.00000
   80    70    71    35.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    65.00000  117.92700
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    62    70.00000  123.01800
   58    55    56    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    64    35.00000  120.00000
   62    58    59    35.00000  120.00000
   64    62    63    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    57    60  -0.25900  1.0 1.0
   33    53    57    60  -0.47000 -1.0 2.0
   33    53    57    60   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    57  -0.09450  1.0 1.0
   43    48    53    57  -1.12950 -1.0 2.0
   43    48    53    57   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    57    60  -0.25900  1.0 1.0
   48    53    57    60  -0.47000 -1.0 2.0
   48    53    57    60   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    57    60    61   3.00000 -1.0 2.0
   53    57    60    65   1.63150  1.0 1.0
   53    57    60    65   2.92000 -1.0 2.0
   54    53    57    60   0.08050  1.0 3.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67   0.36750  1.0 3.0
   57    60    65    69   0.36750  1.0 3.0
   60    65    67    68   0.15000  1.0 3.0
   60    65   -67    69  -0.95700  1.0 1.0
   60    65   -67    69  -0.18200 -1.0 2.0
   60    65   -67    69   0.29450  1.0 3.0
   60    65    67    70  -0.98800  1.0 1.0
   60    65    67    70   0.48800 -1.0 2.0
   60    65    67    70   0.76800  1.0 3.0
   60    65   -69    67  -0.95700  1.0 1.0
   60    65   -69    67  -0.18200 -1.0 2.0
   60    65   -69    67   0.29450  1.0 3.0
   60    65    69    72  -0.95700  1.0 1.0
   60    65    69    72  -0.18200 -1.0 2.0
   60    65    69    72   0.29450  1.0 3.0
   60    65    69    76  -0.95700  1.0 1.0
   60    65    69    76  -0.18200 -1.0 2.0
   60    65    69    76   0.29450  1.0 3.0
   61    60    65    66   0.50000  1.0 3.0
   61    60    65    67   0.30150 -1.0 2.0
   61    60    65    69   0.30150 -1.0 2.0
   65    67   -69    72   0.07850  1.0 1.0
   65    67   -69    72  -0.03950 -1.0 2.0
   65    67   -69    72   0.67350  1.0 3.0
   65    67   -69    76   0.07850  1.0 1.0
   65    67   -69    76  -0.03950 -1.0 2.0
   65    67   -69    76   0.67350  1.0 3.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    80   0.09850  1.0 1.0
   65    67    70    80   0.15250 -1.0 2.0
   65    67    70    80  -0.50650  1.0 3.0
   65    69    72    73   0.15000  1.0 3.0
   65    69    72    74   0.15000  1.0 3.0
   65    69    72    75   0.15000  1.0 3.0
   65    69    76    77   0.15000  1.0 3.0
   65    69    76    78   0.15000  1.0 3.0
   65    69    76    79   0.15000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65   -67    69   0.15000  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65   -69    67   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65   -69    72   0.07850  1.0 1.0
   67    65   -69    72  -0.03950 -1.0 2.0
   67    65   -69    72   0.67350  1.0 3.0
   67    65   -69    76   0.07850  1.0 1.0
   67    65   -69    76  -0.03950 -1.0 2.0
   67    65   -69    76   0.67350  1.0 3.0
   67    69    72    73   0.15000  1.0 3.0
   67    69    72    74   0.15000  1.0 3.0
   67    69    72    75   0.15000  1.0 3.0
   67    69    76    77   0.15000  1.0 3.0
   67    69    76    78   0.15000  1.0 3.0
   67    69    76    79   0.15000  1.0 3.0
   67    70    80    81   7.00000 -1.0 2.0
   67    70    80    85   7.00000 -1.0 2.0
   68    67   -69    65   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67    69    76   0.15000  1.0 3.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    80   0.00000  1.0 1.0
   69    65   -67    68   0.15000  1.0 3.0
   69    65   -67    70   0.34400  1.0 1.0
   69    65   -67    70   0.09450 -1.0 2.0
   69    65   -67    70   0.11100  1.0 3.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    80   0.09850  1.0 1.0
   69    67    70    80   0.15250 -1.0 2.0
   69    67    70    80  -0.50650  1.0 3.0
   72    69    76    77   0.15000  1.0 3.0
   72    69    76    78   0.15000  1.0 3.0
   72    69    76    79   0.15000  1.0 3.0
   76    69    72    73   0.15000  1.0 3.0
   76    69    72    74   0.15000  1.0 3.0
   76    69    72    75   0.15000  1.0 3.0
   70    67   -69    65   0.34400  1.0 1.0
   70    67   -69    65   0.09450 -1.0 2.0
   70    67   -69    65   0.11100  1.0 3.0
   70    67    69    72   0.34400  1.0 1.0
   70    67    69    72   0.09450 -1.0 2.0
   70    67    69    72   0.11100  1.0 3.0
   70    67    69    76   0.34400  1.0 1.0
   70    67    69    76   0.09450 -1.0 2.0
   70    67    69    76   0.11100  1.0 3.0
   70    80    81    82   0.00000  1.0 1.0
   70    80    81    83   0.00000  1.0 1.0
   70    80    81    84   0.00000  1.0 1.0
   70    80    85    86   0.00000  1.0 1.0
   70    80    85    87   0.00000  1.0 1.0
   70    80    85    88   0.00000  1.0 1.0
   71    70    80    81   7.00000 -1.0 2.0
   71    70    80    85   7.00000 -1.0 2.0
   81    80    85    86   0.34800  1.0 3.0
   81    80    85    87   0.34800  1.0 3.0
   81    80    85    88   0.34800  1.0 3.0
   85    80    81    82   0.34800  1.0 3.0
   85    80    81    83   0.34800  1.0 3.0
   85    80    81    84   0.34800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    58   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   51    55    58    59  -0.18600  1.0 3.0
   51    55    58    62   0.28850  1.0 1.0
   51    55    58    62   2.61350 -1.0 2.0
   51    55    58    62   0.78400  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    58   7.00000 -1.0 2.0
   55    58    62    63   7.00000 -1.0 2.0
   55    58    62    64   7.00000 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    62  -0.18600  1.0 3.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    64   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    57   0.62750  1.0 1.0
   39    33    53    57  -0.30950 -1.0 2.0
   39    33    53    57   0.27300  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   57    65    60    61  10.50000 -1.0 2.0
   67    71    70    80  15.00000 -1.0 2.0
   81    85    80    70  15.00000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   58    56    55    51  15.00000 -1.0 2.0
   55    59    58    62  15.00000 -1.0 2.0
   63    64    62    58  15.00000 -1.0 2.0
END
