* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    171    263     496
    1     0 S   NP   _N1_     1    28.92891    97.60323   -22.95176
    2     1 S   H    _HN1     2     1.02848    66.56901     8.41426
    3     1 S   H    _H1_     3     1.02957    46.21982   158.36099
    4     1 S   H    _H2_     4     1.02793   100.54393   -97.06748
    5     1 S   CT   _CA1     5     1.50507   145.45386   102.31401
    6     5 S   HC   _HA1     6     1.09700   104.53634   102.84197
    7     5 S   CO3  _C1_     7     1.54502   110.84086   -12.77231
    8     7 S   O2Z  _O11     8     1.26018   116.67509  -117.20910
    9     7 S   O2Z  _O12     9     1.26573   113.74070    61.26183
   10     5 S   CT   _CB1    10     1.53251   106.95047  -141.32116
   11    10 S   HC   HB11    11     1.09820   109.95904   -43.88082
   12    10 S   HC   HB12    12     1.09758   110.37003    73.01511
   13    10 S   CT   _CG1    13     1.52797   111.94323  -164.40640
   14    13 S   HC   HG11    14     1.09411   110.38835   -61.59677
   15    13 S   HC   HG12    15     1.09657   109.70882    57.54652
   16    13 S   C    _CD1    16     1.51642   113.18074   178.43677
   17    16 S   O    _OE1    17     1.22664   123.48032     4.15256
   18    16 S   N    _N2_    18     1.38720   111.17395  -176.45354
   19    18 S   H    _HN2    19     1.01493   119.07916     4.19657
   20    18 S   CT1  _CA2    20     1.46213   123.82115  -177.86274
   21    20 S   HC   _HA2    21     1.09717   109.23230     3.10753
   22    20 S   C    _C2_    22     1.53528   109.40823  -112.89593
   23    22 S   O    _O2_    23     1.23069   122.07478  -155.30436
   24    20 S   CT   _CB2    32     1.53519   110.90350   124.85727
   25    24 S   HC   HB21    33     1.09485   109.50464    58.19747
   26    24 S   HC   HB22    34     1.09495   110.60723   177.28675
   27    22 S   N    _N3_    24     1.38251   113.95235    31.79159
   28    27 S   H    _HN3    25     1.01573   119.43767    -2.93598
   29    24 S   S    _SG2    35     1.82748   110.94707   -62.73162
   30    27 S   CT   _CA3    26     1.45265   123.36363   177.66125
   31    30 S   HC   HA31    27     1.09542   107.43725   -67.59625
   32    30 S   HC   HA32    28     1.09556   108.11792    48.91146
   33    29 S   CT   _C24    36     1.83961   100.07580   173.46940
   34    33 S   HC   _H6_    37     1.09499   104.68459    51.89821
   35    30 S   CO3  _C3_    29     1.52975   113.97786   170.98583
   36    35 S   O2Z  _O31    30     1.26387   116.05657     0.15451
   37    35 S   O2Z  _O32    31     1.26417   114.42853  -179.77272
   38    33 S   CM   _C21    38     1.54137   111.89957   -70.88025
   39    33 S   OS   _O35    86     1.43556   109.18816   168.20428
   40    38 S   CMA  _C22    39     1.37034   120.67727   118.99475
   41    40 S   OM   _O33    40     1.26995   125.23098    -1.47751
   42    38 S   CT   _C20    46     1.54880   114.97168   -62.30930
   43    42 S   HC   _H5_    47     1.09970   106.82287    -1.65375
   44    39 S   CT   _C25    87     1.42178   112.68426  -136.44266
   45    44 S   HC   _H28    88     1.09323   108.26289  -176.53237
   46    44 S   HC   _H29    89     1.09424   110.29645    64.88200
   47    44 S   HC   _H30    90     1.09389   110.90281   -57.45603
   48    40 S   OS   _O34    41     1.41522   112.13830  -179.89347
   49    42 S   CT   _C19    48     1.54595   111.68297   113.62577
   50    49 S   HC   _H23    49     1.09703   111.06957    64.74801
   51    49 S   HC   _H24    50     1.09632   109.48749   -52.12401
   52    42 S   CT   _C6_    77     1.55959   116.99912  -118.75412
   53    52 S   HC   _H3_    78     1.09685   109.52447   -65.49750
   54    48 S   CT   _C23    42     1.42729   114.40131  -141.71254
   55    54 S   HC   _H25    43     1.09403   107.72473   171.19730
   56    54 S   HC   _H26    44     1.09543   111.07316    53.09120
   57    54 S   HC   _H27    45     1.09473   111.05500   -70.85628
   58    49 S   CT   _C18    51     1.53381   111.05620  -173.34946
   59    58 S   HC   _H4_    52     1.09998   108.65075    62.53172
   60    52 S   CT   _C5_    79     1.54362   111.84504    53.73387
   61    60 S   HC   _H10    80     1.09492   109.33801   -57.54503
   62    60 S   HC   _H11    81     1.09638   110.06957    59.88936
   63    58 S   C5A  _C17    53     1.50036   112.68723  -178.72298
   64    60 S   CT   _C4_    82     1.52308   114.10340  -177.28957
   65    64 S   HC   _H7_    83     1.09364   111.67532   -69.17217
   66    64 S   HC   _H8_    84     1.09500   109.92183   171.85992
   67    64 S   HC   _H9_    85     1.09445   111.09356    52.38036
   68    63 S   C5B  _C10    54     1.37932   124.93604   145.49006
   69    63 S   NA   _N5_    65     1.36511   126.95514   -36.96490
   70    69 S   H    _H22    66     1.00953   125.51618     2.77855
   71    68 S   C56B _C11    55     1.42105   107.78016   176.57149
   72    68 S   CT   _C9_    67     1.48863   121.10812    -4.06361
   73    72 S   HC   _H16    68     1.09557   110.57886   134.79449
   74    72 S   HC   _H17    69     1.09708   108.55101  -107.25931
   75    71 S   CA   _C12    56     1.40893   134.52366  -179.33854
   76    75 S   HA   _H18    57     1.08608   120.71532    -0.03956
   77    72 S   CT   _C8_    70     1.54792   111.10515    12.92676
   78    77 S   HC   _H14    71     1.09860   109.69682    79.86939
   79    77 S   HC   _H15    72     1.09701   107.61570  -164.05310
   80    75 S   CA   _C13    58     1.39966   119.25552   179.62675
   81    80 S   HA   _H19    59     1.08684   119.49694  -179.78694
   82    58 S   NT   _N4_    73     1.48665   110.18044   -57.30214
   83    80 S   CA   _C14    60     1.39343   120.78756     0.15323
   84    83 S   HA   _H20    61     1.08711   119.56324  -179.98022
   85    82 S   CT   _C7_    74     1.46826   111.51733    59.47413
   86    85 S   HC   _H12    75     1.09559   108.05640  -179.67675
   87    85 S   HC   _H13    76     1.09815   110.77918    63.10879
   88    83 S   CA   _C15    62     1.39756   121.04265     0.08393
   89    88 S   HA   _H21    63     1.08502   120.95604   179.88465
   90    71 S   C56A _C16    64     1.39851   106.79059     0.61038
  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
  14   5   2   1   1  16   6  10   3  18   8   3   2   1   1   4
  13   6   5  14   8   3   2   1   1  15   6  10   6   5  13   4
   2   1   1  15   9   3  12   9   5   4   7   4   6   3   2   6
   3   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    85    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    63    82    85    86    87    52    53    60    61    62    64    48  
   49    50    51    58    85    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    63    68    69    77    82    85    52    53    60  
   51    58    59    63    82    52  
   58    59    63    82    52  
   53    60    61    62    64    65    66    67    58    77    82    85    86    87  
   60    61    62    64    82    85    86    87  
   55    56    57  
   56    57  
   57  
    0  
   59    63    68    71    90    69    70    72    77    78    79    82    85    86    87  
   63    68    69    77    82    85  
   61    62    64    65    66    67    82    85    86    87  
   62    64    65    66    67    85  
   64    65    66    67    85  
   68    71    75    88    90    69    70    72    73    74    77    82    85  
   65    66    67    85  
   66    67  
   67  
    0  
   71    75    76    80    88    90    69    70    72    73    74    77    78    79    82  
   70    72    82    71    75    83    88    89    90  
   71    88    90  
   75    76    80    81    83    88    89    90    72    73    74    77  
   73    74    77    78    79    82    85    75    90  
   74    77    78    79    82  
   77    78    79    82  
   76    80    81    83    84    88    90  
   80    81    83    90  
   78    79    82    85    86    87  
   79    82    85  
   82    85  
   81    83    84    88    89    90  
   83    84    88  
   85    86    87  
   84    88    89    90  
   88    89    90  
   86    87  
   87  
    0  
   89    90  
   90  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   82   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    63   295.000  1.489
   58    82   382.000  1.448
   63    68   520.000  1.370
   63    69   427.000  1.381
   68    71   380.000  1.440
   68    72   295.000  1.494
   71    75   469.000  1.404
   71    90   447.000  1.419
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    83   469.000  1.400
   83    84   367.000  1.080
   83    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    69   428.000  1.380
   69    70   434.000  1.010
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   382.000  1.448
   82    85   382.000  1.448
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    52   268.000  1.529
   52    53   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    85    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    70.00000  113.44400
   49    58    82    56.20000  109.47000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    63    68    55.00000  130.44200
   58    63    69    65.00000  122.56900
   58    82    77    51.80000  107.20000
   58    82    85    51.80000  107.20000
   63    58    59    45.00000  110.47400
   63    68    71    80.00000  105.82900
   63    68    72    55.00000  127.77900
   63    69    90    90.00000  107.14200
   63    69    70    35.00000  120.00000
   68    71    75    50.00000  134.85500
   68    71    90    80.00000  107.43600
   68    72    73    45.00000  111.11700
   68    72    74    45.00000  111.11700
   68    72    77    70.00000  112.62400
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    90    88    85.00000  122.70000
   71    90    69    70.00000  104.40000
   75    80    81    35.00000  120.00000
   75    80    83    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    83    84    35.00000  120.00000
   80    83    88    63.00000  120.00000
   83    80    81    35.00000  120.00000
   83    88    89    35.00000  120.00000
   83    88    90    85.00000  120.00000
   88    83    84    35.00000  120.00000
   88    90    69    70.00000  132.80000
   90    71    75    85.00000  116.20000
   90    88    89    35.00000  120.00000
   90    69    70    35.00000  123.10000
   69    63    68    70.00000  106.30000
   72    68    71    55.00000  128.73000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    56.20000  109.47000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    85    51.80000  107.20000
   79    77    78    33.00000  107.80000
   82    58    59    35.00000  109.50000
   82    58    63    75.00000  112.58000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    52    56.20000  109.47000
   85    52    53    37.50000  110.70000
   85    52    60    58.35000  112.70000
   87    85    86    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    85    86    37.50000  110.70000
   52    85    87    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   60    52    53    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    85   0.34400  1.0 1.0
   38    42    52    85   0.09450 -1.0 2.0
   38    42    52    85   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.34400  1.0 1.0
   38    42    52    60   0.09450 -1.0 2.0
   38    42    52    60   0.11100  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    63  -0.03700  1.0 1.0
   42    49    58    63   0.37200 -1.0 2.0
   42    49    58    63  -0.47300  1.0 3.0
   42    49    58    82   1.53400  1.0 1.0
   42    49    58    82  -0.09950 -1.0 2.0
   42    49    58    82   0.05700  1.0 3.0
   42    52    60    61   0.15000  1.0 3.0
   42    52    60    62   0.15000  1.0 3.0
   42    52    60    64   0.56750  1.0 1.0
   42    52    60    64  -0.07550 -1.0 2.0
   42    52    60    64   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    85   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    85   0.56750  1.0 1.0
   49    42    52    85  -0.07550 -1.0 2.0
   49    42    52    85   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.56750  1.0 1.0
   49    42    52    60  -0.07550 -1.0 2.0
   49    42    52    60   0.20000  1.0 3.0
   49    58    63    68   0.04150 -1.0 2.0
   49    58    63    69   0.39850  1.0 1.0
   49    58    63    69   0.06450 -1.0 2.0
   49    58    63    69   0.32400  1.0 3.0
   49    58    82    77   0.23450  1.0 1.0
   49    58    82    77   0.02050 -1.0 2.0
   49    58    82    77   0.25250  1.0 3.0
   49    58   -82    85   0.23450  1.0 1.0
   49    58   -82    85   0.02050 -1.0 2.0
   49    58   -82    85   0.25250  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.43200  1.0 3.0
   50    49    58    82   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    63   0.43200  1.0 3.0
   51    49    58    82   0.15000  1.0 3.0
   58    63    68    71   3.62500 -1.0 2.0
   58    63    68    72   3.62500 -1.0 2.0
   58    63    69    90   3.62500 -1.0 2.0
   58    63    69    70   2.00000 -1.0 2.0
   58    82    85    86   0.28000  1.0 3.0
   58    82    85    87   0.28000  1.0 3.0
   58    82    85    52   0.23450  1.0 1.0
   58    82    85    52   0.02050 -1.0 2.0
   58    82    85    52   0.25250  1.0 3.0
   59    58    63    68   0.00000  1.0 1.0
   59    58    63    69   0.00000  1.0 1.0
   59    58    82    77   0.28000  1.0 3.0
   59    58    82    85   0.28000  1.0 3.0
   63    58    82    77   0.82600  1.0 1.0
   63    58    82    77  -0.32100 -1.0 2.0
   63    58    82    77   1.02000  1.0 3.0
   63    58    82    85   0.82600  1.0 1.0
   63    58    82    85  -0.32100 -1.0 2.0
   63    58    82    85   1.02000  1.0 3.0
   63    68    71    75   3.62500 -1.0 2.0
   63    68   -71    90   3.50000 -1.0 2.0
   63    68    72    73   0.00000  1.0 1.0
   63    68    72    74   0.00000  1.0 1.0
   63    68   -72    77   0.04150 -1.0 2.0
   68    63   -69    90   3.62500 -1.0 2.0
   68    63    69    70   1.40000 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   68    71    90    88   3.00000 -1.0 2.0
   68    71   -90    69   3.00000 -1.0 2.0
   68    72    77    78   0.43200  1.0 3.0
   68    72    77    79   0.43200  1.0 3.0
   68    72    77    82   0.83750  1.0 1.0
   68    72    77    82   0.32200 -1.0 2.0
   68    72    77    82   0.70600  1.0 3.0
   71    68    72    73   0.00000  1.0 1.0
   71    68    72    74   0.00000  1.0 1.0
   71    68    72    77   0.04150 -1.0 2.0
   71    75    80    81   3.62500 -1.0 2.0
   71    75    80    83   3.62500 -1.0 2.0
   71    90   -69    63   3.62500 -1.0 2.0
   71    90    69    70   1.52500 -1.0 2.0
   75    71    90    88   3.00000 -1.0 2.0
   75    71    90    69   3.00000 -1.0 2.0
   75    80    83    84   3.62500 -1.0 2.0
   75    80   -83    88   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    83   3.62500 -1.0 2.0
   80    83    88    89   3.62500 -1.0 2.0
   80    83    88    90   3.62500 -1.0 2.0
   81    80    83    84   3.62500 -1.0 2.0
   81    80    83    88   3.62500 -1.0 2.0
   83    88   -90    71   3.62500 -1.0 2.0
   83    88    90    69   3.62500 -1.0 2.0
   84    83    88    89   3.62500 -1.0 2.0
   84    83    88    90   3.62500 -1.0 2.0
   88    90    69    63   3.62500 -1.0 2.0
   88    90    69    70   1.52500 -1.0 2.0
   89    88    90    71   3.62500 -1.0 2.0
   89    88    90    69   3.62500 -1.0 2.0
   90    71    75    76   3.50000 -1.0 2.0
   90    71   -75    80   3.50000 -1.0 2.0
   69    63   -68    71   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   72    68    71    75   3.62500 -1.0 2.0
   72    68    71    90   3.62500 -1.0 2.0
   72    77   -82    58   0.23450  1.0 1.0
   72    77   -82    58   0.02050 -1.0 2.0
   72    77   -82    58   0.25250  1.0 3.0
   72    77    82    85   0.23450  1.0 1.0
   72    77    82    85   0.02050 -1.0 2.0
   72    77    82    85   0.25250  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    79   0.15000  1.0 3.0
   74    72    77    82   0.15000  1.0 3.0
   77    82    85    86   0.28000  1.0 3.0
   77    82    85    87   0.28000  1.0 3.0
   77    82    85    52   0.23450  1.0 1.0
   77    82    85    52   0.02050 -1.0 2.0
   77    82    85    52   0.25250  1.0 3.0
   78    77    82    58   0.28000  1.0 3.0
   78    77    82    85   0.28000  1.0 3.0
   79    77    82    58   0.28000  1.0 3.0
   79    77    82    85   0.28000  1.0 3.0
   82    58   -63    68   0.18550 -1.0 2.0
   82    58   -63    68   0.14000  1.0 3.0
   82    58    63    69   0.04300 -1.0 2.0
   82    85   -52    42   1.53400  1.0 1.0
   82    85   -52    42  -0.09950 -1.0 2.0
   82    85   -52    42   0.05700  1.0 3.0
   82    85    52    53   0.15000  1.0 3.0
   82    85    52    60   1.53400  1.0 1.0
   82    85    52    60  -0.09950 -1.0 2.0
   82    85    52    60   0.05700  1.0 3.0
   85    52    60    61   0.15000  1.0 3.0
   85    52    60    62   0.15000  1.0 3.0
   85    52    60    64   0.56750  1.0 1.0
   85    52    60    64  -0.07550 -1.0 2.0
   85    52    60    64   0.20000  1.0 3.0
   86    85    52    42   0.15000  1.0 3.0
   86    85    52    53   0.15000  1.0 3.0
   86    85    52    60   0.15000  1.0 3.0
   87    85    52    42   0.15000  1.0 3.0
   87    85    52    53   0.15000  1.0 3.0
   87    85    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   68    69    63    58   4.00000 -1.0 2.0
   71    72    68    63   4.00000 -1.0 2.0
   75    90    71    68   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   83    81    80    75   1.10000 -1.0 2.0
   88    84    83    80   1.10000 -1.0 2.0
   90    89    88    83   1.10000 -1.0 2.0
   88    69    90    71   4.00000 -1.0 2.0
   70    63    69    90   1.00000 -1.0 2.0
END
