* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    227     439
    1     0 S   NP   _N1_     1    28.80412    94.43989   -25.87334
    2     1 S   H    _HN1     2     1.02785   118.44235   -88.92224
    3     1 S   H    _H1_     3     1.02950    79.34009    16.30455
    4     1 S   H    _H2_     4     1.02828    27.74150  -162.70071
    5     1 S   CT   _CA1     5     1.50116   121.80140   123.80103
    6     5 S   HC   _HA1     6     1.09573   105.19317    87.73264
    7     5 S   CO3  _C1_     7     1.53783   112.46107   -32.50019
    8     7 S   O2Z  _O11     8     1.26372   115.00243   -42.48262
    9     7 S   O2Z  _O12     9     1.26239   114.94759   136.63938
   10     5 S   CT   _CB1    10     1.53079   107.42137  -154.28424
   11    10 S   HC   HB11    11     1.09834   109.36195   -49.71184
   12    10 S   HC   HB12    12     1.09813   110.45010    66.89105
   13    10 S   CT   _CG1    13     1.52997   112.61696  -170.68837
   14    13 S   HC   HG11    14     1.09580   110.64075   -65.88351
   15    13 S   HC   HG12    15     1.09671   109.77695    53.35174
   16    13 S   C    _CD1    16     1.51804   112.20357   173.80369
   17    16 S   O    _OE1    17     1.22734   123.27956     7.52191
   18    16 S   N    _N2_    18     1.38663   111.70016  -172.58243
   19    18 S   H    _HN2    19     1.01583   118.92669     1.65635
   20    18 S   CT1  _CA2    20     1.46176   123.35665   177.19258
   21    20 S   HC   _HA2    21     1.09736   109.36345     2.92710
   22    20 S   C    _C2_    22     1.53565   108.63976  -112.56155
   23    22 S   O    _O2_    23     1.23063   122.24494  -147.92827
   24    20 S   CT   _CB2    32     1.53333   111.66577   124.94771
   25    24 S   HC   HB21    33     1.09591   110.12583    56.24469
   26    24 S   HC   HB22    34     1.09413   109.95384   175.16803
   27    22 S   N    _N3_    24     1.38314   113.73469    39.50284
   28    27 S   H    _HN3    25     1.01583   119.60648    -3.30441
   29    24 S   S    _SG2    35     1.82792   111.60252   -64.54032
   30    27 S   CT   _CA3    26     1.45290   123.21551   177.13584
   31    30 S   HC   HA31    27     1.09549   107.50801   -64.62581
   32    30 S   HC   HA32    28     1.09556   107.98832    51.81394
   33    29 S   CT   _C18    36     1.84091    99.46980   177.37796
   34    33 S   HC   _H3_    37     1.09488   107.46124   -42.72592
   35    30 S   CO3  _C3_    29     1.52962   114.07681   173.81040
   36    35 S   O2Z  _O31    30     1.26378   116.06541    -0.74388
   37    35 S   O2Z  _O32    31     1.26429   114.41255   179.31729
   38    33 S   CO4  _C11    38     1.51361   106.20047  -156.97415
   39    38 S   O    _O23    39     1.22952   120.83377    88.38406
   40    38 S   CA   _C7_    40     1.48805   118.91527   -89.52274
   41    40 S   CA   _C6_    41     1.40393   120.29021    -8.62516
   42    41 S   CA   _C8_    42     1.40637   119.26041   178.75888
   43    41 S   CO4  _C10    52     1.48645   120.36353    -2.70863
   44    43 S   O    _O22    53     1.22902   120.31388   170.13536
   45    42 S   CA   _C4_    43     1.39420   120.87352     0.56890
   46    45 S   HA   _H29    44     1.08683   120.42573   179.75934
   47    42 S   OH   _O25    50     1.36967   123.63505   179.90109
   48    47 S   HO   _H50    51     0.97369   109.06808     2.51474
   49    33 S   CT   _C17    54     1.52889   112.35938    78.79284
   50    49 S   HC   _H33    55     1.09824   109.02923   -42.80619
   51    45 S   CA   _C5_    45     1.38952   119.86998     0.00000
   52    51 S   HA   _H30    46     1.08684   119.69593   179.85196
   53    49 S   CT   _C24    56     1.55225   115.15580  -162.65445
   54    53 S   HC   _H49    57     1.09839   108.38786  -168.29140
   55    40 S   CA   _C9_    47     1.40646   120.46970   170.93792
   56    53 S   CT   _C23    58     1.54002   111.68465    71.38637
   57    56 S   HC   _H47    59     1.09703   109.84910    48.75276
   58    56 S   HC   _H48    60     1.09367   110.73707   -68.38438
   59    53 S   OS   _O27    72     1.44626   109.05771   -47.78106
   60    55 S   OH   _O26    48     1.36963   123.66469     0.69605
   61    60 S   HO   _H51    49     0.97371   109.08610     0.23070
   62    56 S   CM   _C13    61     1.50628   111.79960   167.75953
   63    62 S   HC   _H32    62     1.08960   114.08374   -77.00355
   64    59 S   CO4  _C16    73     1.35873   118.27603  -132.20598
   65    64 S   O    _O24    74     1.21890   127.31071     2.18919
   66    62 S   CM   _C15    63     1.34685   127.79847   103.24515
   67    64 S   CM   _C12    75     1.47985   106.97121  -178.28582
   68    67 S   HC   _H31    76     1.08709   115.42873   -30.58316
   69    66 S   CT   _C21    64     1.50547   120.44740   179.41785
   70    69 S   HC   _H41    65     1.09504   110.24639   118.97066
   71    69 S   HC   _H42    66     1.09493   110.21934  -121.20468
   72    69 S   HC   _H43    67     1.09508   112.41539    -1.12082
   73    66 S   CT   _C22    68     1.50280   125.19409    -1.69939
   74    73 S   HC   _H44    69     1.09481   110.08008   115.45139
   75    73 S   HC   _H45    70     1.09210   113.57788    -5.57165
   76    73 S   HC   _H46    71     1.09545   110.02686  -125.26088
   77    67 S   CM   _C14    77     1.34496   124.64480   149.72538
   78    77 S   CT   _C19    78     1.50633   119.90157   177.85680
   79    78 S   HC   _H35    79     1.09495   110.32325   118.23799
   80    78 S   HC   _H36    80     1.09523   112.40308    -1.92824
   81    78 S   HC   _H37    81     1.09501   110.17063  -121.91128
   82    77 S   CT   _C20    82     1.50353   125.87185    -3.29824
   83    82 S   HC   _H38    83     1.09452   110.15671   107.25198
   84    82 S   HC   _H39    84     1.09216   113.46801   -14.63165
   85    82 S   HC   _H40    85     1.09574   110.09260  -133.45721
  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   9   5   4   3
  14   7   2   1   1  11   4  12  13  10  10   3   7   4   2   1
   9   4   4   2  11   6   2   9   5   4   6   1   1  10   3   6
   3   8  10   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    55    43    44    49    50    53    54    56    59  
   38    39    40    43    49    50    53  
   36    37  
   37  
    0  
   39    40    41    42    51    55    60    43    49    50    53  
   40    41    55    49  
   41    42    45    51    52    55    60    61    47    43    44    49  
   42    45    46    51    55    60    47    48    43    44    49    50    53  
   45    46    51    52    55    47    48    43    44    49  
   44    49    50    53    54    56    59    45    47    55  
   49    50    53  
   46    51    52    55    60    47    48  
   51    52    55    47  
   48    51  
    0  
   50    53    54    56    57    58    62    59    64  
   53    54    56    59  
   52    55    60    61  
   55    60  
   54    56    57    58    62    63    66    59    64    65    67  
   56    57    58    62    59    64  
   60    61  
   57    58    62    63    66    69    73    59    64  
   58    62    63    66    59  
   62    63    66    59  
   64    65    67    68    77    62  
   61  
    0  
   63    66    69    70    71    72    73    74    75    76  
   66    69    73  
   65    67    68    77    78    82  
   67    68    77  
   69    70    71    72    73    74    75    76  
   68    77    78    79    80    81    82    83    84    85  
   77    78    82  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    55   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    60   450.000  1.364
   60    61   553.000  0.945
   47    48   553.000  0.945
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   317.000  1.510
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    69   317.000  1.510
   66    73   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   59    64   214.000  1.327
   64    65   570.000  1.229
   64    67   320.000  1.462
   67    68   340.000  1.080
   67    77   549.000  1.340
   77    78   317.000  1.510
   77    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    43    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    53    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    55    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    55    51    63.00000  120.00000
   40    55    60    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    47    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    49    65.00000  115.47100
   42    45    46    35.00000  120.00000
   42    45    51    63.00000  120.00000
   42    47    48    35.00000  113.00000
   45    51    52    35.00000  120.00000
   45    51    55    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    55    60    70.00000  120.00000
   55    40    41    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    60    61    35.00000  113.00000
   47    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    49    50    35.00000  109.50000
   43    49    53    63.00000  111.10000
   49    33    34    37.50000  110.70000
   49    33    38    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    56    58.35000  112.70000
   49    53    59    50.00000  109.50000
   53    49    50    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    62    70.00000  112.02700
   53    59    64    83.00000  116.90000
   56    53    54    37.50000  110.70000
   56    62    63    35.00000  117.00000
   56    62    66    70.00000  124.00000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   62    66    69    70.00000  124.00000
   62    66    73    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    69    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
   59    64    65    83.00000  123.40000
   59    64    67    90.00000  111.29400
   64    67    68    40.00000  117.72500
   64    67    77    65.00000  118.96000
   67    64    65    80.00000  123.72100
   67    77    78    70.00000  124.00000
   67    77    82    70.00000  124.00000
   77    67    68    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    55   2.26350  1.0 1.0
   33    38    40    55   0.76750 -1.0 2.0
   33    38    40    55   0.22500  1.0 3.0
   33    49    53    54   0.15000  1.0 3.0
   33    49    53    56   0.56750  1.0 1.0
   33    49    53    56  -0.07550 -1.0 2.0
   33    49    53    56   0.20000  1.0 3.0
   33    49    53    59   0.62750  1.0 1.0
   33    49    53    59  -0.30950 -1.0 2.0
   33    49    53    59   0.27300  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    43  -0.11250  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    53   0.15000  1.0 3.0
   38    33    49    43   0.11950  1.0 1.0
   38    33    49    43   0.20300 -1.0 2.0
   38    33    49    43  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    53  -0.95700  1.0 1.0
   38    33    49    53  -0.18200 -1.0 2.0
   38    33    49    53   0.29450  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    55    51   3.62500 -1.0 2.0
   38    40    55    60   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    55   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    47   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    49   2.26350  1.0 1.0
   40    41    43    49   0.76750 -1.0 2.0
   40    41    43    49   0.22500  1.0 3.0
   40    55    60    61   0.84100 -1.0 2.0
   41    40    55    51   3.62500 -1.0 2.0
   41    40    55    60   3.62500 -1.0 2.0
   41    42    45    46   3.62500 -1.0 2.0
   41    42   -45    51   3.62500 -1.0 2.0
   41    42    47    48   0.84100 -1.0 2.0
   41    43   -49    33   0.05850 -1.0 2.0
   41    43   -49    33   0.17250  1.0 3.0
   41    43    49    50   0.00000  1.0 1.0
   41    43    49    53   0.05850 -1.0 2.0
   41    43    49    53   0.17250  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    49   2.26350  1.0 1.0
   42    41    43    49   0.76750 -1.0 2.0
   42    41    43    49   0.22500  1.0 3.0
   42    45    51    52   3.62500 -1.0 2.0
   42    45    51    55   3.62500 -1.0 2.0
   45    42    47    48   0.84100 -1.0 2.0
   45    51   -55    40   3.62500 -1.0 2.0
   45    51    55    60   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    55   3.62500 -1.0 2.0
   51    55    60    61   0.84100 -1.0 2.0
   52    51    55    40   3.62500 -1.0 2.0
   52    51    55    60   3.62500 -1.0 2.0
   55    40   -41    42   3.62500 -1.0 2.0
   55    40    41    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    51   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   43    49    53    54  -0.11250  1.0 3.0
   43    49    53    56  -0.95700  1.0 1.0
   43    49    53    56  -0.18200 -1.0 2.0
   43    49    53    56   0.29450  1.0 3.0
   43    49    53    59  -0.09450  1.0 1.0
   43    49    53    59  -1.12950 -1.0 2.0
   43    49    53    59   0.54000  1.0 3.0
   44    43    49    33   0.30150 -1.0 2.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    53   0.30150 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.05850 -1.0 2.0
   49    33   -38    40   0.17250  1.0 3.0
   49    53    56    57   0.15000  1.0 3.0
   49    53    56    58   0.15000  1.0 3.0
   49    53    56    62   0.34400  1.0 1.0
   49    53    56    62   0.09450 -1.0 2.0
   49    53    56    62   0.11100  1.0 3.0
   49    53    59    64  -0.25900  1.0 1.0
   49    53    59    64  -0.47000 -1.0 2.0
   49    53    59    64   0.11750  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    56   0.15000  1.0 3.0
   50    49    53    59   0.23400  1.0 3.0
   53    56    62    63   0.00000  1.0 1.0
   53    56    62    66   0.09850  1.0 1.0
   53    56    62    66   0.15250 -1.0 2.0
   53    56    62    66  -0.50650  1.0 3.0
   53    59    64    65   3.00000 -1.0 2.0
   53    59    64    67   2.00000 -1.0 2.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    62   0.15000  1.0 3.0
   54    53    59    64   0.08050  1.0 3.0
   56    53    59    64  -0.25900  1.0 1.0
   56    53    59    64  -0.47000 -1.0 2.0
   56    53    59    64   0.11750  1.0 3.0
   56    62    66    69   7.00000 -1.0 2.0
   56    62    66    73   7.00000 -1.0 2.0
   57    56    62    63   0.33100  1.0 3.0
   57    56    62    66   0.00000  1.0 1.0
   58    56    62    63   0.33100  1.0 3.0
   58    56    62    66   0.00000  1.0 1.0
   62    66    69    70   0.00000  1.0 1.0
   62    66    69    71   0.00000  1.0 1.0
   62    66    69    72   0.00000  1.0 1.0
   62    66    73    74   0.00000  1.0 1.0
   62    66    73    75   0.00000  1.0 1.0
   62    66    73    76   0.00000  1.0 1.0
   63    62    66    69   7.00000 -1.0 2.0
   63    62    66    73   7.00000 -1.0 2.0
   69    66    73    74   0.34800  1.0 3.0
   69    66    73    75   0.34800  1.0 3.0
   69    66    73    76   0.34800  1.0 3.0
   73    66    69    70   0.34800  1.0 3.0
   73    66    69    71   0.34800  1.0 3.0
   73    66    69    72   0.34800  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    62   0.61850  1.0 1.0
   59    53    56    62  -0.22750 -1.0 2.0
   59    53    56    62   0.15300  1.0 3.0
   59    64    67    68   1.63100 -1.0 2.0
   59    64    67    77  -0.56150  1.0 1.0
   59    64    67    77   2.19150 -1.0 2.0
   64    67    77    78   7.00000 -1.0 2.0
   64    67    77    82   7.00000 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    77   1.00000 -1.0 2.0
   67    77    78    79   0.00000  1.0 1.0
   67    77    78    80   0.00000  1.0 1.0
   67    77    78    81   0.00000  1.0 1.0
   67    77    82    83   0.00000  1.0 1.0
   67    77    82    84   0.00000  1.0 1.0
   67    77    82    85   0.00000  1.0 1.0
   68    67    77    78   7.00000 -1.0 2.0
   68    67    77    82   7.00000 -1.0 2.0
   78    77    82    83   0.34800  1.0 3.0
   78    77    82    84   0.34800  1.0 3.0
   78    77    82    85   0.34800  1.0 3.0
   82    77    78    79   0.34800  1.0 3.0
   82    77    78    80   0.34800  1.0 3.0
   82    77    78    81   0.34800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    55    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    47    42    41   4.00000 -1.0 2.0
   51    46    45    42   1.10000 -1.0 2.0
   55    52    51    45   1.10000 -1.0 2.0
   51    60    55    40   4.00000 -1.0 2.0
   41    49    43    44  10.50000 -1.0 2.0
   56    63    62    66  15.00000 -1.0 2.0
   69    73    66    62  15.00000 -1.0 2.0
   59    67    64    65  10.50000 -1.0 2.0
   64    68    67    77  15.00000 -1.0 2.0
   78    82    77    67  15.00000 -1.0 2.0
END
