* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    247     466
    1     0 S   NP   _N1_     1    28.09490    95.34704   -25.15427
    2     1 S   H    _HN1     2     1.02777   111.15770  -109.86416
    3     1 S   H    _H1_     3     1.02958    84.67361    -2.23887
    4     1 S   H    _H2_     4     1.02836    23.04100   164.04743
    5     1 S   CT   _CA1     5     1.50136   125.67547   109.09617
    6     5 S   HC   _HA1     6     1.09577   105.20616    79.18194
    7     5 S   CO3  _C1_     7     1.53784   112.35497   -40.98473
    8     7 S   O2Z  _O11     8     1.26367   114.99296   -43.82349
    9     7 S   O2Z  _O12     9     1.26237   114.93103   135.23020
   10     5 S   CT   _CB1    10     1.53099   107.42050  -162.92389
   11    10 S   HC   HB11    11     1.09828   109.31254   -50.49952
   12    10 S   HC   HB12    12     1.09816   110.43536    66.05151
   13    10 S   CT   _CG1    13     1.53025   112.68440  -171.56834
   14    13 S   HC   HG11    14     1.09594   110.49325   -64.75697
   15    13 S   HC   HG12    15     1.09658   109.91032    54.44187
   16    13 S   C    _CD1    16     1.51850   112.31088   174.79640
   17    16 S   O    _OE1    17     1.22755   123.28553     0.79721
   18    16 S   N    _N2_    18     1.38562   111.72165  -179.14912
   19    18 S   H    _HN2    19     1.01550   119.05108     4.18053
   20    18 S   CT1  _CA2    20     1.45846   122.87217   177.93285
   21    20 S   HC   _HA2    21     1.09730   108.89331    24.93920
   22    20 S   C    _C2_    22     1.52944   107.00088   -92.10212
   23    22 S   O    _O2_    23     1.22986   123.05099   -26.82595
   24    20 S   CT   _CB2    32     1.53167   112.25664   148.11488
   25    24 S   HC   HB21    33     1.09604   110.23302    54.43576
   26    24 S   HC   HB22    34     1.09444   110.03507   173.25706
   27    22 S   N    _N3_    24     1.38504   112.58840   155.87043
   28    27 S   H    _HN3    25     1.01666   120.33790    -1.82306
   29    24 S   S    _SG2    35     1.82557   111.18174   -66.19629
   30    27 S   CT   _CA3    26     1.45360   122.46134   178.70050
   31    30 S   HC   HA31    27     1.09567   107.78563   -56.51190
   32    30 S   HC   HA32    28     1.09565   107.62061    59.80538
   33    29 S   CT   _C11    36     1.84041    99.34782   176.23101
   34    33 S   HC   _H3_    37     1.09921   103.79458   -52.49347
   35    30 S   CO3  _C3_    29     1.52887   114.36036  -178.36506
   36    35 S   O2Z  _O31    30     1.26333   116.06345     1.29739
   37    35 S   O2Z  _O32    31     1.26441   114.40964  -178.75841
   38    33 S   CT   _C10    38     1.55242   116.46647    63.50326
   39    38 S   HC   _H33    39     1.09740   108.09962   -93.35229
   40    33 S   CT   _C16    50     1.56050   117.39403  -168.66243
   41    40 S   OM   _O16    51     1.32605   112.15491   -50.37508
   42    38 S   CT   _C15    40     1.55287   106.19074   147.23776
   43    40 S   CT   _C17    52     1.53686   111.80781    69.65025
   44    43 S   HC   _H38    53     1.09855   112.28167   -68.84772
   45    43 S   HC   _H39    54     1.09776   111.80981   171.01231
   46    43 S   HC   _H40    55     1.09502   111.60280    50.16104
   47    38 S   OH   _O22    81     1.42349   113.12206    25.10800
   48    47 S   HO   _H46    82     0.97244   107.42310   158.54639
   49    42 S   CM   _C4_    41     1.49304   112.77720   135.86855
   50    49 S   HC   _H27    42     1.08582   118.73004    68.74468
   51    42 S   OH   _O23    79     1.43376   109.84919  -105.88990
   52    51 S   HO   _H47    80     0.97615   106.46187    62.58218
   53    49 S   CM   _C5_    43     1.33488   121.63536  -114.53449
   54    53 S   HC   _H28    44     1.08094   123.29027  -174.54479
   55    53 S   OS   _O17    45     1.36361   125.64190     3.41816
   56    55 S   CO   _C13    46     1.43954   115.27081    18.06330
   57    56 S   HC   _H36    47     1.09706   107.81320    75.05589
   58    42 S   CT   _C6_    48     1.55589   105.93792    11.62751
   59    58 S   HC   _H29    49     1.10191   109.96234  -150.33438
   60    56 S   OS1  _O25    56     1.43388   108.86757  -166.39460
   61    60 S   CO1  _C14    57     1.43312   113.20630   -70.93957
   62    61 S   HC   _H37    58     1.09772   108.81174    52.62385
   63    61 S   CT   _C9_    59     1.53378   107.25368   171.79269
   64    63 S   HC   _H32    60     1.09688   109.94848    52.41706
   65    63 S   CT   _C7_    61     1.53091   111.26160   174.36375
   66    65 S   HC   _H30    62     1.09669   110.22593    73.78404
   67    63 S   OH5  _O21    77     1.42947   110.06812   -64.33127
   68    67 S   HO   _H45    78     0.97221   108.20679   -58.53778
   69    65 S   CT   _C8_    63     1.53177   111.38650   -48.92521
   70    69 S   HC   _H31    64     1.09705   109.06159   -71.44466
   71    65 S   OH5  _O19    75     1.42959   109.64758  -170.34416
   72    71 S   HO   _H43    76     0.97247   108.10536    60.08064
   73    69 S   CT   _C12    65     1.53195   110.64725    49.79642
   74    73 S   HC   _H35    66     1.09831   110.97544    64.19321
   75    69 S   OH5  _O20    73     1.42602   109.70169   171.69494
   76    75 S   HO   _H44    74     0.97255   108.21887   -57.66554
   77    61 S   OS1  _O18    67     1.42852   110.72924   -68.46070
   78    73 S   CT   _C18    68     1.52977   111.56656  -174.91277
   79    78 S   HC   _H41    69     1.09507   110.99449    69.40410
   80    78 S   HC   _H42    70     1.09395   111.58132   -53.02546
   81    78 S   OH5  _O24    71     1.42522   109.02491  -171.97239
   82    81 S   HO   _H48    72     0.97244   107.00230  -177.61148
  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  10   5   4   3
  17   8   2   1   1  15   7  15   8  15   6   3   2   1   4   1
   9   5   5   1   6   2   6   8   4   3   1   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    58    40    41    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    49    56    58    59    40    41    43    44    45    46    51    47    48  
   38    39    42    58    40    41    43    47  
   36    37  
   37  
    0  
   39    42    49    50    53    56    58    59    40    41    43    51    52    47    48  
   42    49    58    40    51    47    48  
   41    43    44    45    46    60    51    47    42    49    55    56    57    58    59  
   43    44    45    46    42    56    58    59  
   49    50    53    54    55    56    57    58    59    43    60    51    52    47    48  
   44    45    46    56    58    59  
   45    46    58  
   46    58  
   58  
   48    49    51    58  
    0  
   50    53    54    55    56    58    59    51    52  
   53    54    55    58    51  
   52    53    56    58    59  
   58  
   54    55    56    57    58    60  
   55    56  
   56    57    58    59    60    61  
   57    58    59    60    61    62    63    77  
   58    59    60    61  
   59    60    61  
   60  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    47   320.000  1.410
   42    49   317.000  1.510
   42    58   268.000  1.529
   42    51   320.000  1.410
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   340.000  1.080
   53    55   440.000  1.360
   55    56   320.000  1.380
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    60   320.000  1.380
   58    59   340.000  1.090
   58    40   268.000  1.529
   40    41   570.000  1.307
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   51    52   553.000  0.945
   47    48   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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    58    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    43    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    49    70.00000  112.02700
   38    42    58    58.35000  112.70000
   38    42    51    50.00000  109.50000
   38    47    48    55.00000  108.50000
   42    38    39    37.50000  110.70000
   42    49    50    35.00000  117.00000
   42    49    53    70.00000  124.00000
   42    58    56    75.00000  109.43000
   42    58    59    37.50000  110.70000
   42    58    40    58.35000  112.70000
   42    51    52    55.00000  108.50000
   49    53    54    35.00000  120.00000
   49    53    55    80.00000  120.01400
   53    49    50    35.00000  120.00000
   53    55    56    85.00000  113.97000
   55    53    54    55.00000  109.52600
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.56700
   55    56    60    92.60000  111.55000
   56    58    59    45.00000  108.72000
   56    58    40    75.00000  109.43000
   56    60    61    90.00000  112.10700
   58    42    49    70.00000  112.02700
   58    56    57    45.00000  112.01100
   58    40    41    50.00000  109.50000
   58    40    43    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    58    59    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    58    90.00000  108.56700
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   51    42    49    90.00000  110.39200
   51    42    58    50.00000  109.50000
   47    38    39    35.00000  109.50000
   47    38    42    50.00000  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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    58   0.44750  1.0 1.0
   29    33    40    58  -0.17800 -1.0 2.0
   29    33    40    58   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    38    42    49   0.34400  1.0 1.0
   33    38    42    49   0.09450 -1.0 2.0
   33    38    42    49   0.11100  1.0 3.0
   33    38   -42    58   0.56750  1.0 1.0
   33    38   -42    58  -0.07550 -1.0 2.0
   33    38   -42    58   0.20000  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    58   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33   -40    58   0.56750  1.0 1.0
   38    33   -40    58  -0.07550 -1.0 2.0
   38    33   -40    58   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    42    49    50   0.00000  1.0 1.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    58    56   3.97050  1.0 1.0
   38    42    58    59   0.15000  1.0 3.0
   38    42   -58    40   0.56750  1.0 1.0
   38    42   -58    40  -0.07550 -1.0 2.0
   38    42   -58    40   0.20000  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    58   0.15000  1.0 3.0
   39    38    42    51   0.23400  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   42    38    47    48  -0.11600  1.0 1.0
   42    38    47    48  -0.09450 -1.0 2.0
   42    38    47    48   0.21250  1.0 3.0
   42    49    53    54   7.00000 -1.0 2.0
   42    49    53    55   7.00000 -1.0 2.0
   42    58   -40    33   0.56750  1.0 1.0
   42    58   -40    33  -0.07550 -1.0 2.0
   42    58   -40    33   0.20000  1.0 3.0
   42    58    40    41   0.62750  1.0 1.0
   42    58    40    41  -0.30950 -1.0 2.0
   42    58    40    41   0.27300  1.0 3.0
   42    58    40    43   0.56750  1.0 1.0
   42    58    40    43  -0.07550 -1.0 2.0
   42    58    40    43   0.20000  1.0 3.0
   49    42    58    56   0.34400  1.0 1.0
   49    42    58    56   0.09450 -1.0 2.0
   49    42    58    56   0.11100  1.0 3.0
   49    42    58    59   0.15000  1.0 3.0
   49    42    58    40   0.34400  1.0 1.0
   49    42    58    40   0.09450 -1.0 2.0
   49    42    58    40   0.11100  1.0 3.0
   49    42    51    52  -0.07800  1.0 1.0
   49    42    51    52  -0.21500 -1.0 2.0
   49    42    51    52  -0.03150  1.0 3.0
   49    53   -55    56  -2.26850  1.0 1.0
   49    53   -55    56   3.39050 -1.0 2.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    55   7.00000 -1.0 2.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.46850  1.0 1.0
   53    55    56    58   0.09300 -1.0 2.0
   53    55    56    58  -0.12850  1.0 3.0
   53    55    56    60  -0.48150  1.0 1.0
   53    55    56    60   0.09250 -1.0 2.0
   53    55    56    60  -0.12850  1.0 3.0
   54    53    55    56   0.50000 -1.0 2.0
   55    56   -58    42   0.62750  1.0 1.0
   55    56   -58    42  -0.30950 -1.0 2.0
   55    56   -58    42   0.27300  1.0 3.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    40   0.62750  1.0 1.0
   55    56    58    40  -0.30950 -1.0 2.0
   55    56    58    40   0.27300  1.0 3.0
   55    56    60    61  -0.53350  1.0 1.0
   55    56    60    61  -0.78350 -1.0 2.0
   55    56    60    61   0.33750  1.0 3.0
   56    58    40    33   3.97050  1.0 1.0
   56    58    40    41   0.62750  1.0 1.0
   56    58    40    41  -0.30950 -1.0 2.0
   56    58    40    41   0.27300  1.0 3.0
   56    58    40    43   3.97050  1.0 1.0
   56    60    61    62   0.37050  1.0 3.0
   56    60    61    63   0.06250  1.0 1.0
   56    60    61    63  -0.01100 -1.0 2.0
   56    60    61    63   0.28050  1.0 3.0
   56    60    61    77  -0.12700  1.0 1.0
   56    60    61    77  -1.16200 -1.0 2.0
   56    60    61    77   0.58800  1.0 3.0
   57    56    58    42   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    40   0.15000  1.0 3.0
   57    56    60    61   0.37050  1.0 3.0
   58    42    49    50   0.00000  1.0 1.0
   58    42   -49    53   0.09850  1.0 1.0
   58    42   -49    53   0.15250 -1.0 2.0
   58    42   -49    53  -0.50650  1.0 3.0
   58    42    51    52  -0.11600  1.0 1.0
   58    42    51    52  -0.09450 -1.0 2.0
   58    42    51    52   0.21250  1.0 3.0
   58    56    60    61   0.06250  1.0 1.0
   58    56    60    61  -0.01100 -1.0 2.0
   58    56    60    61   0.28050  1.0 3.0
   58    40    43    44   0.15000  1.0 3.0
   58    40    43    45   0.15000  1.0 3.0
   58    40    43    46   0.15000  1.0 3.0
   59    58    40    33   0.15000  1.0 3.0
   59    58    40    41   0.23400  1.0 3.0
   59    58    40    43   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   41    40    43    44   0.23400  1.0 3.0
   41    40    43    45   0.23400  1.0 3.0
   41    40    43    46   0.23400  1.0 3.0
   60    56    58    42   0.62750  1.0 1.0
   60    56    58    42  -0.30950 -1.0 2.0
   60    56    58    42   0.27300  1.0 3.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    40   0.62750  1.0 1.0
   60    56    58    40  -0.30950 -1.0 2.0
   60    56    58    40   0.27300  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   51    42    49    50   0.00000  1.0 1.0
   51    42    49    53   0.67800  1.0 1.0
   51    42    49    53   0.47050 -1.0 2.0
   51    42    49    53  -0.62500  1.0 3.0
   51    42    58    56   0.86500  1.0 1.0
   51    42    58    56  -0.17500 -1.0 2.0
   51    42    58    56   0.20800  1.0 3.0
   51    42    58    59   0.23400  1.0 3.0
   51    42    58    40   0.86500  1.0 1.0
   51    42    58    40  -0.17500 -1.0 2.0
   51    42    58    40   0.20800  1.0 3.0
   47    38    42    49   1.05650  1.0 1.0
   47    38    42    49   0.15600 -1.0 2.0
   47    38    42    49   0.53150  1.0 3.0
   47    38    42    58   0.86500  1.0 1.0
   47    38    42    58  -0.17500 -1.0 2.0
   47    38    42    58   0.20800  1.0 3.0
   47    38    42    51   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    49    53   1.10000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
END
