* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    167    249     487
    1     0 S   NP   _N1_     1    28.70075    95.17658   -19.27940
    2     1 S   H    _HN1     2     1.02954    87.65705    29.93830
    3     1 S   H    _H1_     3     1.02841    40.91293   149.61016
    4     1 S   H    _H2_     4     1.02757    80.83996   -79.11998
    5     1 S   CT   _CA1     5     1.50115   151.23868   160.64922
    6     5 S   HC   _HA1     6     1.09571   105.23813    51.91772
    7     5 S   CO3  _C1_     7     1.53795   112.31701   -68.35192
    8     7 S   O2Z  _O11     8     1.26369   114.98755   -44.93456
    9     7 S   O2Z  _O12     9     1.26231   114.93750   134.17660
   10     5 S   CT   _CB1    10     1.53087   107.44964   169.91355
   11    10 S   HC   HB11    11     1.09809   109.40281   -50.08237
   12    10 S   HC   HB12    12     1.09806   110.39374    66.60550
   13    10 S   CT   _CG1    13     1.52948   112.62706  -170.92647
   14    13 S   HC   HG11    14     1.09586   110.61366   -63.11983
   15    13 S   HC   HG12    15     1.09665   109.78041    56.04320
   16    13 S   C    _CD1    16     1.51826   112.34139   176.68897
   17    16 S   O    _OE1    17     1.22713   123.36759     6.53549
   18    16 S   N    _N2_    18     1.38558   111.60269  -174.00743
   19    18 S   H    _HN2    19     1.01600   118.96829     0.91193
   20    18 S   CT1  _CA2    20     1.46202   123.47534   179.25218
   21    20 S   HC   _HA2    21     1.09642   109.20824    -9.39164
   22    20 S   C    _C2_    22     1.53374   108.33252  -124.51203
   23    22 S   O    _O2_    23     1.23010   122.43793  -147.86471
   24    20 S   CT   _CB2    32     1.53265   111.30801   112.99996
   25    24 S   HC   HB21    33     1.09634   109.82158    54.21242
   26    24 S   HC   HB22    34     1.09529   111.58268   172.33056
   27    22 S   N    _N3_    24     1.38383   113.35968    39.77389
   28    27 S   H    _HN3    25     1.01637   119.45717    -3.76759
   29    24 S   S    _SG2    35     1.82760   112.73643   -65.24107
   30    27 S   CT   _CA3    26     1.45277   123.22934   176.86968
   31    30 S   HC   HA31    27     1.09549   107.56507   -63.28457
   32    30 S   HC   HA32    28     1.09556   107.92370    53.14810
   33    29 S   CT   _C19    36     1.82645    99.32015   -82.38285
   34    33 S   HC   _H3_    37     1.09537   108.03743   -65.95995
   35    33 S   HC   _H4_    38     1.09333   108.21114    51.25541
   36    30 S   CO3  _C3_    29     1.52958   114.05491   175.12159
   37    36 S   O2Z  _O31    30     1.26382   116.03893     0.02798
   38    36 S   O2Z  _O32    31     1.26422   114.42739  -179.92338
   39    33 S   CT   _C12    39     1.52846   111.48282   172.13678
   40    39 S   HC   _H32    40     1.09658   111.43676   -47.66625
   41    39 S   CO4  _C6_    41     1.51865   113.86703    75.37512
   42    41 S   O    _O21    42     1.22054   126.74057   -40.96942
   43    41 S   OS   _O23    43     1.37304   109.64272   140.20003
   44    43 S   CT   _C14    44     1.43663   109.60638     3.07065
   45    44 S   HC   _H34    45     1.09606   108.67817  -144.18178
   46    44 S   CT   _C10    46     1.53087   108.91063    95.43737
   47    46 S   HC   _H29    47     1.09794   107.69556    95.14158
   48    46 S   HC   _H30    48     1.09867   109.50783   -18.86207
   49    46 S   CM   _C4_    49     1.51531   116.67828  -141.94733
   50    49 S   CM   _C5_    50     1.35617   122.70583     2.04162
   51    49 S   CT   _C18    86     1.51129   112.41392  -179.36882
   52    51 S   HC   _H44    87     1.09609   110.06401   -41.15829
   53    51 S   HC   _H45    88     1.09181   113.91428  -160.23358
   54    50 S   CT   _C11    51     1.52324   120.84597     1.88865
   55    54 S   HC   _H31    52     1.09557   108.93824   142.11023
   56    50 S   CT   _C23    69     1.53909   123.07354  -178.08695
   57    56 S   HC   _H54    70     1.09448   109.15865    13.75744
   58    51 S   OH   _O24    89     1.42032   109.02851    77.72987
   59    58 S   HO   _H55    90     0.97221   107.02213  -178.76806
   60    39 S   CT   _C13    53     1.53091   111.63253  -172.58323
   61    60 S   HC   _H33    54     1.10061   107.87726   -43.56552
   62    54 S   OS   _O26    55     1.44978   106.74888   -99.90149
   63    56 S   CT   _C17    71     1.53519   113.10598   129.26348
   64    63 S   HC   _H41    72     1.09469   111.86495    73.66177
   65    63 S   HC   _H42    73     1.09545   111.12316   -48.05498
   66    63 S   HC   _H43    74     1.09499   110.88583  -166.52115
   67    56 S   CT   _C21    75     1.54451   110.46105  -104.13591
   68    67 S   HC   _H50    76     1.09699   110.21267   -68.58089
   69    67 S   HC   _H51    77     1.09810   109.18262    48.22847
   70    62 S   CO4  _C9_    56     1.35914   117.42144  -150.85154
   71    70 S   O    _O22    57     1.22110   126.91148    -0.90179
   72    67 S   CT   _C20    78     1.53094   113.10792   169.25169
   73    72 S   HC   _H48    79     1.09701   110.22455   -55.32053
   74    72 S   HC   _H49    80     1.09591   110.84920    61.76786
   75    70 S   CM   _C8_    58     1.48365   108.49608   179.59266
   76    72 S   CT   _C22    81     1.52216   111.66646  -177.03826
   77    76 S   HC   _H52    82     1.09402   110.90734    60.27739
   78    76 S   HC   _H53    83     1.09443   110.79931   -61.21740
   79    75 S   CM   _C7_    59     1.34452   120.39736  -133.49163
   80    79 S   HC   _H28    60     1.08920   117.83627  -177.85735
   81    75 S   CT   _C16    65     1.49964   116.87956    48.56516
   82    81 S   HC   _H38    66     1.09484   110.68189   -70.55523
   83    81 S   HC   _H39    67     1.09518   110.42072    49.62740
   84    81 S   HC   _H40    68     1.09519   111.94067   169.29196
   85    76 S   OH   _O25    84     1.42110   108.90996   179.54072
   86    85 S   HO   _H56    85     0.97204   107.04588   174.68043
   87    79 S   CT   _C15    61     1.49590   128.12227     3.92151
   88    87 S   HC   _H35    62     1.09403   109.95895  -109.96510
   89    87 S   HC   _H36    63     1.09501   109.34997   131.50087
   90    87 S   HC   _H37    64     1.09252   113.51328    12.08516
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  12   7  12   5   4
  14  20   6   3   2  11   5  14   8   1   1   3   1   5   7   3
   2   1   9   5   4   9   3   7   5   4  10   4   3   2   9   5
   4   2   1   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    60  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    54    60    61  
   35    39    40    41    60  
   39    40    41    60  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    50    54    55    60    61    62  
   41    42    43    44    54    60    61  
   42    43    44    45    46    54    60    61  
   43    44    60  
   44    45    46    47    48    49    54    60    61  
   45    46    47    48    49    50    54    55    60    61    62    51  
   46    47    48    49    54    60    61  
   47    48    49    50    54    60    61    56    51    52    53    58  
   48    49    50    60    51  
   49    50    60    51  
   50    54    55    60    62    56    57    63    67    51    52    53    58    59  
   54    55    60    61    62    70    56    57    63    64    65    66    67    68    69    72    51    52    53    58  
   52    53    58    59    54    56  
   53    58    59  
   58    59  
   55    60    61    62    70    71    75    56    57    63    67  
   60    61    62    70    56  
   57    63    64    65    66    67    68    69    72    73    74    76    60    62  
   63    64    65    66    67    68    69    72  
   59  
    0  
   61    62    70  
   62  
   70    71    75    79    81  
   64    65    66    67    68    69    72  
   65    66    67  
   66    67  
   67  
   68    69    72    73    74    76    77    78    85  
   69    72    73    74    76  
   72    73    74    76  
   71    75    79    80    87    81    82    83    84  
   75    79    81  
   73    74    76    77    78    85    86  
   74    76    77    78    85  
   76    77    78    85  
   79    80    87    88    89    90    81    82    83    84  
   77    78    85    86  
   78    85    86  
   85    86  
   80    87    88    89    90    81    82    83    84  
   87    88    89    90    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86  
    0  
   88    89    90  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    60   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   549.000  1.340
   49    51   317.000  1.510
   50    54   317.000  1.510
   50    56   317.000  1.510
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   320.000  1.410
   60    61   340.000  1.090
   62    70   214.000  1.327
   70    71   570.000  1.229
   70    75   320.000  1.462
   75    79   549.000  1.340
   75    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    85   320.000  1.410
   85    86   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   320.000  1.410
   58    59   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    60    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    60    44    58.35000  112.70000
   39    60    54    58.35000  112.70000
   39    60    61    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    60    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    70.00000  112.02700
   44    60    54    58.35000  112.70000
   44    60    61    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    49    50    70.00000  124.00000
   46    49    51    65.00000  117.92700
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    54    70.00000  124.00000
   49    50    56    70.00000  124.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    58    90.00000  110.39200
   50    54    55    35.00000  109.50000
   50    54    60    70.00000  112.02700
   50    54    62    85.00000  110.90400
   50    56    57    35.00000  109.50000
   50    56    63    70.00000  112.02700
   50    56    67    70.00000  112.02700
   54    60    61    37.50000  110.70000
   54    62    70    83.00000  116.90000
   60    39    40    37.50000  110.70000
   60    39    41    63.00000  111.10000
   60    44    45    37.50000  110.70000
   60    44    46    58.35000  112.70000
   60    54    55    37.50000  110.70000
   62    54    55    35.00000  109.50000
   62    54    60    50.00000  109.50000
   62    70    71    83.00000  123.40000
   62    70    75    90.00000  111.29400
   70    75    79    65.00000  118.96000
   70    75    81    65.00000  116.34900
   75    70    71    80.00000  123.72100
   75    79    80    35.00000  120.00000
   75    79    87    70.00000  124.00000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   87    79    80    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   81    75    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   56    50    54    65.00000  117.92700
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   56    67    68    37.50000  110.70000
   56    67    69    37.50000  110.70000
   56    67    72    58.35000  112.70000
   63    56    57    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    56    57    37.50000  110.70000
   67    56    63    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    76    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    85    50.00000  109.50000
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    85    86    55.00000  108.50000
   78    76    77    33.00000  107.80000
   85    76    77    35.00000  109.50000
   85    76    78    35.00000  109.50000
   51    49    50    70.00000  124.00000
   51    58    59    55.00000  108.50000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    60   0.44750  1.0 1.0
   29    33    39    60  -0.17800 -1.0 2.0
   29    33    39    60   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    60    44   0.56750  1.0 1.0
   33    39    60    44  -0.07550 -1.0 2.0
   33    39    60    44   0.20000  1.0 3.0
   33    39    60    54   0.56750  1.0 1.0
   33    39    60    54  -0.07550 -1.0 2.0
   33    39    60    54   0.20000  1.0 3.0
   33    39    60    61   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    60   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    60   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    60    44   0.15000  1.0 3.0
   40    39    60    54   0.15000  1.0 3.0
   40    39    60    61   0.15000  1.0 3.0
   41    39   -60    44  -0.95700  1.0 1.0
   41    39   -60    44  -0.18200 -1.0 2.0
   41    39   -60    44   0.29450  1.0 3.0
   41    39    60    54  -0.95700  1.0 1.0
   41    39    60    54  -0.18200 -1.0 2.0
   41    39    60    54   0.29450  1.0 3.0
   41    39    60    61  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    60  -0.25900  1.0 1.0
   41    43   -44    60  -0.47000 -1.0 2.0
   41    43   -44    60   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    49   0.61850  1.0 1.0
   43    44    46    49  -0.22750 -1.0 2.0
   43    44    46    49   0.15300  1.0 3.0
   43    44   -60    39   0.62750  1.0 1.0
   43    44   -60    39  -0.30950 -1.0 2.0
   43    44   -60    39   0.27300  1.0 3.0
   43    44    60    54   0.62750  1.0 1.0
   43    44    60    54  -0.30950 -1.0 2.0
   43    44    60    54   0.27300  1.0 3.0
   43    44    60    61   0.23400  1.0 3.0
   44    46    49    50   0.09850  1.0 1.0
   44    46    49    50   0.15250 -1.0 2.0
   44    46    49    50  -0.50650  1.0 3.0
   44    46    49    51   0.46850  1.0 1.0
   44    46    49    51   0.08550 -1.0 2.0
   44    46    49    51   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    60    39   0.15000  1.0 3.0
   45    44    60    54   0.15000  1.0 3.0
   45    44    60    61   0.15000  1.0 3.0
   46    44    60    39   0.56750  1.0 1.0
   46    44    60    39  -0.07550 -1.0 2.0
   46    44    60    39   0.20000  1.0 3.0
   46    44    60    54   0.56750  1.0 1.0
   46    44    60    54  -0.07550 -1.0 2.0
   46    44    60    54   0.20000  1.0 3.0
   46    44    60    61   0.15000  1.0 3.0
   46    49   -50    54   7.00000 -1.0 2.0
   46    49    50    56   7.00000 -1.0 2.0
   46    49    51    52   0.34800  1.0 3.0
   46    49    51    53   0.34800  1.0 3.0
   46    49    51    58   0.18000  1.0 1.0
   46    49    51    58   0.16450 -1.0 2.0
   46    49    51    58   0.04450  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.34800  1.0 3.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.34800  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    60   0.09850  1.0 1.0
   49    50    54    60   0.15250 -1.0 2.0
   49    50    54    60  -0.50650  1.0 3.0
   49    50    54    62   0.39000  1.0 1.0
   49    50    54    62  -0.05800 -1.0 2.0
   49    50    54    62  -0.55150  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    63   0.09850  1.0 1.0
   49    50    56    63   0.15250 -1.0 2.0
   49    50    56    63  -0.50650  1.0 3.0
   49    50    56    67   0.09850  1.0 1.0
   49    50    56    67   0.15250 -1.0 2.0
   49    50    56    67  -0.50650  1.0 3.0
   49    51    58    59  -0.07800  1.0 1.0
   49    51    58    59  -0.21500 -1.0 2.0
   49    51    58    59  -0.03150  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    58   0.67800  1.0 1.0
   50    49    51    58   0.47050 -1.0 2.0
   50    49    51    58  -0.62500  1.0 3.0
   50    54    60    39   0.34400  1.0 1.0
   50    54    60    39   0.09450 -1.0 2.0
   50    54    60    39   0.11100  1.0 3.0
   50    54   -60    44   0.34400  1.0 1.0
   50    54   -60    44   0.09450 -1.0 2.0
   50    54   -60    44   0.11100  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    62    70  -0.82050  1.0 1.0
   50    54    62    70   0.00600 -1.0 2.0
   50    54    62    70   0.04400  1.0 3.0
   50    56    63    64   0.15000  1.0 3.0
   50    56    63    65   0.15000  1.0 3.0
   50    56    63    66   0.15000  1.0 3.0
   50    56    67    68   0.15000  1.0 3.0
   50    56    67    69   0.15000  1.0 3.0
   50    56    67    72   0.34400  1.0 1.0
   50    56    67    72   0.09450 -1.0 2.0
   50    56    67    72   0.11100  1.0 3.0
   54    50    56    57   0.34800  1.0 3.0
   54    50    56    63   0.46850  1.0 1.0
   54    50    56    63   0.08550 -1.0 2.0
   54    50    56    63   0.09800  1.0 3.0
   54    50    56    67   0.46850  1.0 1.0
   54    50    56    67   0.08550 -1.0 2.0
   54    50    56    67   0.09800  1.0 3.0
   54    62    70    71   3.00000 -1.0 2.0
   54    62    70    75   2.00000 -1.0 2.0
   55    54    60    39   0.15000  1.0 3.0
   55    54    60    44   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    62    70   0.08050  1.0 3.0
   60    39    41    42   0.30150 -1.0 2.0
   60    39   -41    43   0.36750  1.0 3.0
   60    44    46    47   0.15000  1.0 3.0
   60    44    46    48   0.15000  1.0 3.0
   60    44   -46    49   0.34400  1.0 1.0
   60    44   -46    49   0.09450 -1.0 2.0
   60    44   -46    49   0.11100  1.0 3.0
   60    54    62    70  -0.25900  1.0 1.0
   60    54    62    70  -0.47000 -1.0 2.0
   60    54    62    70   0.11750  1.0 3.0
   62    54    60    39   0.62750  1.0 1.0
   62    54    60    39  -0.30950 -1.0 2.0
   62    54    60    39   0.27300  1.0 3.0
   62    54    60    44   0.62750  1.0 1.0
   62    54    60    44  -0.30950 -1.0 2.0
   62    54    60    44   0.27300  1.0 3.0
   62    54    60    61   0.23400  1.0 3.0
   62    70    75    79  -0.56150  1.0 1.0
   62    70    75    79   2.19150 -1.0 2.0
   62    70    75    81  -0.15000  1.0 1.0
   62    70    75    81   0.89550 -1.0 2.0
   62    70    75    81  -0.06900  1.0 3.0
   70    75    79    80   7.00000 -1.0 2.0
   70    75    79    87   7.00000 -1.0 2.0
   70    75    81    82   0.15000  1.0 3.0
   70    75    81    83   0.15000  1.0 3.0
   70    75    81    84   0.15000  1.0 3.0
   71    70    75    79   1.00000 -1.0 2.0
   71    70    75    81  -0.64400  1.0 1.0
   71    70    75    81   0.26850 -1.0 2.0
   75    79    87    88   0.00000  1.0 1.0
   75    79    87    89   0.00000  1.0 1.0
   75    79    87    90   0.00000  1.0 1.0
   79    75    81    82   0.00000  1.0 1.0
   79    75    81    83   0.00000  1.0 1.0
   79    75    81    84   0.00000  1.0 1.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    89   0.33100  1.0 3.0
   80    79    87    90   0.33100  1.0 3.0
   81    75    79    80   7.00000 -1.0 2.0
   81    75    79    87   7.00000 -1.0 2.0
   56    50    54    55   0.34800  1.0 3.0
   56    50    54    60   0.46850  1.0 1.0
   56    50    54    60   0.08550 -1.0 2.0
   56    50    54    60   0.09800  1.0 3.0
   56    50    54    62   0.09700  1.0 1.0
   56    50    54    62   0.15600 -1.0 2.0
   56    50    54    62  -0.50800  1.0 3.0
   56    67    72    73   0.15000  1.0 3.0
   56    67    72    74   0.15000  1.0 3.0
   56    67    72    76   0.56750  1.0 1.0
   56    67    72    76  -0.07550 -1.0 2.0
   56    67    72    76   0.20000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    67    68   0.15000  1.0 3.0
   57    56    67    69   0.15000  1.0 3.0
   57    56    67    72   0.15000  1.0 3.0
   63    56    67    68   0.15000  1.0 3.0
   63    56    67    69   0.15000  1.0 3.0
   63    56    67    72   0.56750  1.0 1.0
   63    56    67    72  -0.07550 -1.0 2.0
   63    56    67    72   0.20000  1.0 3.0
   67    56    63    64   0.15000  1.0 3.0
   67    56    63    65   0.15000  1.0 3.0
   67    56    63    66   0.15000  1.0 3.0
   67    72    76    77   0.15000  1.0 3.0
   67    72    76    78   0.15000  1.0 3.0
   67    72    76    85   0.86500  1.0 1.0
   67    72    76    85  -0.17500 -1.0 2.0
   67    72    76    85   0.20800  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    76   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    76   0.15000  1.0 3.0
   72    76    85    86  -0.11600  1.0 1.0
   72    76    85    86  -0.09450 -1.0 2.0
   72    76    85    86   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    85   0.23400  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    85   0.23400  1.0 3.0
   77    76    85    86   0.19450  1.0 3.0
   78    76    85    86   0.19450  1.0 3.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    56   7.00000 -1.0 2.0
   52    51    58    59   0.19450  1.0 3.0
   53    51    58    59   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    49    50   1.10000 -1.0 2.0
   54    56    50    49   1.10000 -1.0 2.0
   62    75    70    71  10.50000 -1.0 2.0
   70    81    75    79  15.00000 -1.0 2.0
   87    80    79    75  15.00000 -1.0 2.0
END
