* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    167    257     492
    1     0 S   NP   _N1_     1    28.96321    94.86707   -19.10290
    2     1 S   H    _HN1     2     1.02780    75.22317   -87.17684
    3     1 S   H    _H1_     3     1.02961    93.65661    20.83615
    4     1 S   H    _H2_     4     1.02841    41.83692   132.41285
    5     1 S   CT   _CA1     5     1.50111   149.56106   163.85539
    6     5 S   HC   _HA1     6     1.09552   105.31851    37.40994
    7     5 S   CO3  _C1_     7     1.53869   112.36670   -83.15900
    8     7 S   O2Z  _O11     8     1.26382   114.96045   -41.41681
    9     7 S   O2Z  _O12     9     1.26225   115.00512   137.92152
   10     5 S   CT   _CB1    10     1.53080   107.48198   155.74160
   11    10 S   HC   HB11    11     1.09819   109.77154   -47.05959
   12    10 S   HC   HB12    12     1.09842   110.18683    69.60398
   13    10 S   CT   _CG1    13     1.53034   112.61295  -168.04088
   14    13 S   HC   HG11    14     1.09569   110.47245   -57.06822
   15    13 S   HC   HG12    15     1.09613   110.15453    62.22334
   16    13 S   C    _CD1    16     1.51731   112.05405  -177.20999
   17    16 S   O    _OE1    17     1.22726   123.19538    -7.80575
   18    16 S   N    _N2_    18     1.38623   111.67280   171.78257
   19    18 S   H    _HN2    19     1.01574   119.16530     3.78817
   20    18 S   CT1  _CA2    20     1.46262   123.18179  -173.57020
   21    20 S   HC   _HA2    21     1.09725   109.37778   -12.96796
   22    20 S   C    _C2_    22     1.53307   108.67576  -129.03195
   23    22 S   O    _O2_    23     1.23013   122.20228  -146.33947
   24    20 S   CT   _CB2    32     1.53613   111.01558   108.72754
   25    24 S   HC   HB21    33     1.09207   109.23243    60.32541
   26    24 S   HC   HB22    34     1.09523   110.44060   178.15740
   27    22 S   N    _N3_    24     1.38499   113.36370    41.03681
   28    27 S   H    _HN3    25     1.01529   118.88978    -0.54249
   29    24 S   S    _SG2    35     1.82991   111.20183   -62.71799
   30    27 S   CT   _CA3    26     1.45447   123.44067   175.14336
   31    30 S   HC   HA31    27     1.09524   109.23667    24.41195
   32    30 S   HC   HA32    28     1.09496   107.12326   141.40871
   33    29 S   CT   _C13    36     1.86385   102.66743   141.77278
   34    30 S   CO3  _C3_    29     1.52923   113.10901   -99.06867
   35    34 S   O2Z  _O31    30     1.26403   115.39693   -44.89506
   36    34 S   O2Z  _O32    31     1.26355   114.99312   136.04958
   37    33 S   CT   _C9_    37     1.58657   112.49353  -174.75574
   38    37 S   HC   _H5_    38     1.10120   105.71218  -140.16602
   39    33 S   CT   _C23    86     1.54961   108.71735    62.36589
   40    39 S   HC   _H27    87     1.09495   112.20975   -56.98918
   41    39 S   HC   _H28    88     1.09568   110.20699  -176.17966
   42    37 S   CT   _C8_    39     1.54441   105.68258   106.85207
   43    42 S   HC   _H4_    40     1.09737   108.60765   151.50911
   44    39 S   OH   _O40    89     1.42156   111.98056    64.72354
   45    44 S   HO   _H29    90     0.97208   107.20639  -179.94766
   46    42 S   CT   _C7_    41     1.53412   112.49690   -88.20494
   47    46 S   HC   _H14    42     1.09471   110.60155    72.06995
   48    46 S   HC   _H15    43     1.09637   108.85132  -170.41807
   49    42 S   CT   _C15    65     1.52766   103.20736    33.63283
   50    49 S   HC   _H8_    66     1.09614   114.11334  -163.30184
   51    46 S   CO   _C6_    44     1.52558   111.73589   -48.33718
   52    51 S   HC   _H3_    45     1.09667   107.95619   171.60908
   53    33 S   CT   _C14    67     1.56601   109.52351   -59.90503
   54    53 S   HC   _H7_    68     1.09622   110.74200   -18.13902
   55    49 S   OS   _O36    71     1.44335   109.93932    72.99366
   56    51 S   OS   _O34    46     1.42955   109.75270    54.81732
   57    51 S   OS   _O33    57     1.43009   109.21648   -70.46575
   58    53 S   OH   _O39    69     1.42059   113.86100   102.04388
   59    58 S   HO   _H26    70     0.97265   107.58111   172.01638
   60    55 S   CO4  _C16    72     1.35626   116.98749    83.93912
   61    60 S   O    _O37    73     1.22060   126.48321    -0.17694
   62    37 S   CO   _C10    47     1.54135   122.15543   -20.13677
   63    62 S   HC   _H6_    48     1.09850   107.65346  -167.33179
   64    57 S   CT   _C5_    58     1.42555   112.32045  -167.82949
   65    64 S   HC   _H12    59     1.09520   110.11008   -58.88040
   66    64 S   HC   _H13    60     1.09539   109.71775    61.29679
   67    60 S   CA   _C17    74     1.48400   110.12507  -179.34598
   68    62 S   OS   _O35    49     1.42884   109.55573   -51.34747
   69    64 S   CT   _C4_    61     1.51561   108.28063  -178.82880
   70    69 S   HC   _H9_    62     1.09502   110.62796   -58.98744
   71    69 S   HC   _H10    63     1.09508   110.58024    59.27166
   72    69 S   HC   _H11    64     1.09355   110.91438  -179.87967
   73    67 S   CA   _C18    75     1.40179   118.13440   170.91459
   74    73 S   HA   _H21    76     1.08742   120.96701    -0.25488
   75    68 S   CT   _C11    50     1.42435   112.80061  -170.20024
   76    75 S   HC   _H16    51     1.09508   110.07487   -61.18158
   77    75 S   HC   _H17    52     1.09540   109.87166    59.08977
   78    73 S   CA   _C19    77     1.39625   120.28237   179.93147
   79    78 S   HA   _H22    78     1.08614   119.47787   179.88636
   80    75 S   CT   _C12    53     1.51576   108.18796   178.98548
   81    80 S   HC   _H18    54     1.09506   110.61022   -59.06234
   82    80 S   HC   _H19    55     1.09509   110.59419    59.16470
   83    80 S   HC   _H20    56     1.09353   110.92170  -179.95154
   84    78 S   CA   _C20    79     1.39252   119.54657    -0.11191
   85    84 S   CA   _C21    80     1.39185   120.76114    -0.06853
   86    85 S   HA   _H23    81     1.08650   120.42184  -179.83449
   87    84 S   OH   _O38    84     1.36605   121.07295   180.00000
   88    87 S   HO   _H25    85     0.97244   108.61554    -0.01978
   89    67 S   CA   _C22    82     1.40159   122.30130    -9.44490
   90    89 S   HA   _H24    83     1.08644   121.62178    -0.23903
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  21   2   1   1  22  10  10   4   3  18   9   2   1  12   6   5
  11   5  10   4   6   3   6   6   8   1   1   8   3   6   2   6
   5   4   9   7   3   2   1   1   8   4   6   5   4   7   3   3
   2   1   1   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    62    49    53    54    58    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    56    62    63    68    49    50    53    54    58    59    55    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    48    51    56    62    63    68    75    49    50    53    54    58    55    39    40    41    44  
   42    43    46    56    62    63    68    49    53    39  
   40    41    44    45    42    49    53    54    58    62  
   41    44    45    53  
   44    45    53  
   43    46    47    48    51    52    56    62    63    68    57    49    50    53    54    58    55    60  
   46    47    48    51    62    49    50    53    55  
   45    53  
    0  
   47    48    51    52    56    62    57    64    49    50    53    55  
   48    51    52    56    57    49  
   51    52    56    57    49  
   50    53    54    58    59    55    60    61    67    51    62  
   53    54    58    55    60  
   52    56    62    63    68    57    64    65    66    69  
   56    62    57    64  
   54    58    59    55    60    62  
   58    59    55  
   60    61    67    73    89    58  
   62    63    68    75    57    64  
   64    65    66    69    70    71    72    62  
   59  
    0  
   61    67    73    74    78    85    89    90  
   67    73    89  
   63    68    75    76    77    80  
   68    75  
   65    66    69    70    71    72  
   66    69    70    71    72  
   69    70    71    72  
   73    74    78    79    84    85    86    89    90  
   75    76    77    80    81    82    83  
   70    71    72  
   71    72  
   72  
    0  
   74    78    79    84    85    89    90    87  
   78    79    84    89  
   76    77    80    81    82    83  
   77    80    81    82    83  
   80    81    82    83  
   79    84    85    86    89    87    88  
   84    85    87  
   81    82    83  
   82    83  
   83  
    0  
   85    86    89    90    87    88  
   86    89    90    87    88  
   89    90    87  
   88    89  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    62   250.000  1.527
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   250.000  1.527
   51    52   340.000  1.090
   51    56   320.000  1.380
   51    57   320.000  1.380
   56    62   320.000  1.380
   62    63   340.000  1.090
   62    68   320.000  1.380
   68    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    58   320.000  1.410
   58    59   553.000  0.945
   55    60   214.000  1.327
   60    61   570.000  1.229
   60    67   310.000  1.470
   67    73   469.000  1.400
   67    89   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   469.000  1.400
   84    87   450.000  1.364
   85    86   367.000  1.080
   85    89   469.000  1.400
   89    90   367.000  1.080
   87    88   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    62    75.00000  109.43000
   33    53    49    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    58    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    49    58.35000  112.70000
   37    62    56    90.00000  108.56700
   37    62    63    45.00000  112.01100
   37    62    68    90.00000  108.56700
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    75.00000  109.43000
   42    49    50    37.50000  110.70000
   42    49    53    58.35000  112.70000
   42    49    55    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    51    52    45.00000  112.01100
   46    51    56    90.00000  108.56700
   46    51    57    90.00000  108.56700
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  108.72000
   51    46    48    45.00000  108.72000
   51    56    62   100.00000  109.58800
   51    57    64    60.00000  109.50000
   56    51    52    35.00000  109.50000
   56    62    63    35.00000  109.50000
   56    62    68    92.60000  111.55000
   62    37    38    45.00000  108.72000
   62    37    42    75.00000  109.43000
   62    68    75    60.00000  109.50000
   68    62    63    35.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    80    50.00000  109.50000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   57    51    52    35.00000  109.50000
   57    51    56    92.60000  111.55000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    69    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    46    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    58    50.00000  109.50000
   49    55    60    83.00000  116.90000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   53    58    59    55.00000  108.50000
   58    53    54    35.00000  109.50000
   55    49    50    35.00000  109.50000
   55    49    53    50.00000  109.50000
   55    60    61    83.00000  123.40000
   55    60    67    81.00000  111.40000
   60    67    73    60.00000  119.52600
   60    67    89    60.00000  119.52600
   67    60    61    75.00000  123.78400
   67    73    74    35.00000  120.00000
   67    73    78    63.00000  120.00000
   67    89    85    63.00000  120.00000
   67    89    90    35.00000  120.00000
   73    78    79    35.00000  120.00000
   73    78    84    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    84    85    63.00000  120.00000
   78    84    87    70.00000  120.00000
   84    78    79    35.00000  120.00000
   84    85    86    35.00000  120.00000
   84    85    89    63.00000  120.00000
   84    87    88    35.00000  113.00000
   85    89    90    35.00000  120.00000
   89    67    73    63.00000  120.00000
   89    85    86    35.00000  120.00000
   87    84    85    70.00000  120.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    62   0.44750  1.0 1.0
   29    33    37    62  -0.17800 -1.0 2.0
   29    33    37    62   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.56750  1.0 1.0
   33    37    42    46  -0.07550 -1.0 2.0
   33    37    42    46   0.20000  1.0 3.0
   33    37   -42    49   0.56750  1.0 1.0
   33    37   -42    49  -0.07550 -1.0 2.0
   33    37   -42    49   0.20000  1.0 3.0
   33    37    62    56   0.62750  1.0 1.0
   33    37    62    56  -0.30950 -1.0 2.0
   33    37    62    56   0.27300  1.0 3.0
   33    37    62    63   0.15000  1.0 3.0
   33    37    62    68   0.62750  1.0 1.0
   33    37    62    68  -0.30950 -1.0 2.0
   33    37    62    68   0.27300  1.0 3.0
   33    53    58    59  -0.11600  1.0 1.0
   33    53    58    59  -0.09450 -1.0 2.0
   33    53    58    59   0.21250  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -53    49   0.56750  1.0 1.0
   37    33   -53    49  -0.07550 -1.0 2.0
   37    33   -53    49   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    58   0.86500  1.0 1.0
   37    33    53    58  -0.17500 -1.0 2.0
   37    33    53    58   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    51   3.97050  1.0 1.0
   37    42    49    50   0.15000  1.0 3.0
   37    42   -49    53   0.56750  1.0 1.0
   37    42   -49    53  -0.07550 -1.0 2.0
   37    42   -49    53   0.20000  1.0 3.0
   37    42    49    55   0.62750  1.0 1.0
   37    42    49    55  -0.30950 -1.0 2.0
   37    42    49    55   0.27300  1.0 3.0
   37    62    68    75   0.06250  1.0 1.0
   37    62    68    75  -0.01100 -1.0 2.0
   37    62    68    75   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   38    37    62    56   0.23400  1.0 3.0
   38    37    62    63   0.15000  1.0 3.0
   38    37    62    68   0.23400  1.0 3.0
   42    37    62    56   0.62750  1.0 1.0
   42    37    62    56  -0.30950 -1.0 2.0
   42    37    62    56   0.27300  1.0 3.0
   42    37    62    63   0.15000  1.0 3.0
   42    37    62    68   0.62750  1.0 1.0
   42    37    62    68  -0.30950 -1.0 2.0
   42    37    62    68   0.27300  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46   -51    56   0.62750  1.0 1.0
   42    46   -51    56  -0.30950 -1.0 2.0
   42    46   -51    56   0.27300  1.0 3.0
   42    46    51    57   0.62750  1.0 1.0
   42    46    51    57  -0.30950 -1.0 2.0
   42    46    51    57   0.27300  1.0 3.0
   42    49   -53    33   0.56750  1.0 1.0
   42    49   -53    33  -0.07550 -1.0 2.0
   42    49   -53    33   0.20000  1.0 3.0
   42    49    53    54   0.15000  1.0 3.0
   42    49    53    58   0.86500  1.0 1.0
   42    49    53    58  -0.17500 -1.0 2.0
   42    49    53    58   0.20800  1.0 3.0
   42    49    55    60  -0.25900  1.0 1.0
   42    49    55    60  -0.47000 -1.0 2.0
   42    49    55    60   0.11750  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   43    42    49    55   0.23400  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    53   0.56750  1.0 1.0
   46    42    49    53  -0.07550 -1.0 2.0
   46    42    49    53   0.20000  1.0 3.0
   46    42    49    55   0.62750  1.0 1.0
   46    42    49    55  -0.30950 -1.0 2.0
   46    42    49    55   0.27300  1.0 3.0
   46    51    56    62   0.06250  1.0 1.0
   46    51    56    62  -0.01100 -1.0 2.0
   46    51    56    62   0.28050  1.0 3.0
   46    51    57    64   0.06250  1.0 1.0
   46    51    57    64  -0.01100 -1.0 2.0
   46    51    57    64   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    56   0.23400  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    56   0.23400  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   51    56   -62    37   0.06250  1.0 1.0
   51    56   -62    37  -0.01100 -1.0 2.0
   51    56   -62    37   0.28050  1.0 3.0
   51    56    62    63   0.37050  1.0 3.0
   51    56    62    68  -0.81800  1.0 1.0
   51    57    64    65   0.37050  1.0 3.0
   51    57    64    66   0.37050  1.0 3.0
   51    57    64    69   0.06250  1.0 1.0
   51    57    64    69  -0.01100 -1.0 2.0
   51    57    64    69   0.28050  1.0 3.0
   52    51    56    62   0.37050  1.0 3.0
   52    51    57    64   0.37050  1.0 3.0
   56    51    57    64  -0.53350  1.0 1.0
   56    51    57    64  -0.78350 -1.0 2.0
   56    51    57    64   0.33750  1.0 3.0
   56    62    68    75  -0.53350  1.0 1.0
   56    62    68    75  -0.78350 -1.0 2.0
   56    62    68    75   0.33750  1.0 3.0
   62    37    42    43   0.15000  1.0 3.0
   62    37   -42    46   3.97050  1.0 1.0
   62    37    42    49   3.97050  1.0 1.0
   62    68    75    76   0.37050  1.0 3.0
   62    68    75    77   0.37050  1.0 3.0
   62    68    75    80   0.06250  1.0 1.0
   62    68    75    80  -0.01100 -1.0 2.0
   62    68    75    80   0.28050  1.0 3.0
   63    62    68    75   0.37050  1.0 3.0
   68    75    80    81   0.23400  1.0 3.0
   68    75    80    82   0.23400  1.0 3.0
   68    75    80    83   0.23400  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    83   0.15000  1.0 3.0
   57    51    56    62  -0.81800  1.0 1.0
   57    64    69    70   0.23400  1.0 3.0
   57    64    69    71   0.23400  1.0 3.0
   57    64    69    72   0.23400  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    51   3.97050  1.0 1.0
   49    53    58    59  -0.11600  1.0 1.0
   49    53    58    59  -0.09450 -1.0 2.0
   49    53    58    59   0.21250  1.0 3.0
   49    55    60    61   3.00000 -1.0 2.0
   49    55    60    67   0.59950  1.0 1.0
   49    55    60    67   3.24850 -1.0 2.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.23400  1.0 3.0
   50    49    55    60   0.08050  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    42   0.56750  1.0 1.0
   53    33   -37    42  -0.07550 -1.0 2.0
   53    33   -37    42   0.20000  1.0 3.0
   53    33    37    62   3.97050  1.0 1.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    44   0.86500  1.0 1.0
   53    33    39    44  -0.17500 -1.0 2.0
   53    33    39    44   0.20800  1.0 3.0
   53    49    55    60  -0.25900  1.0 1.0
   53    49    55    60  -0.47000 -1.0 2.0
   53    49    55    60   0.11750  1.0 3.0
   54    53    58    59   0.19450  1.0 3.0
   55    49    53    33   0.62750  1.0 1.0
   55    49    53    33  -0.30950 -1.0 2.0
   55    49    53    33   0.27300  1.0 3.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    58   3.69350  1.0 1.0
   55    49    53    58  -1.82950 -1.0 2.0
   55    60    67    73   0.98750 -1.0 2.0
   55    60    67    89   0.98750 -1.0 2.0
   60    67    73    74   3.62500 -1.0 2.0
   60    67    73    78   3.62500 -1.0 2.0
   60    67    89    85   3.62500 -1.0 2.0
   60    67    89    90   3.62500 -1.0 2.0
   61    60    67    73   1.05000 -1.0 2.0
   61    60    67    89   1.05000 -1.0 2.0
   67    73    78    79   3.62500 -1.0 2.0
   67    73    78    84   3.62500 -1.0 2.0
   73    67    89    85   3.62500 -1.0 2.0
   73    67    89    90   3.62500 -1.0 2.0
   73    78   -84    85   3.62500 -1.0 2.0
   73    78    84    87   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    84   3.62500 -1.0 2.0
   78    84    85    86   3.62500 -1.0 2.0
   78    84    85    89   3.62500 -1.0 2.0
   78    84    87    88   0.84100 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    87   3.62500 -1.0 2.0
   84    85   -89    67   3.62500 -1.0 2.0
   84    85    89    90   3.62500 -1.0 2.0
   85    84    87    88   0.84100 -1.0 2.0
   86    85    89    67   3.62500 -1.0 2.0
   86    85    89    90   3.62500 -1.0 2.0
   89    67    73    74   3.62500 -1.0 2.0
   89    67   -73    78   3.62500 -1.0 2.0
   87    84    85    86   3.62500 -1.0 2.0
   87    84    85    89   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    62   3.97050  1.0 1.0
   39    33    53    49   0.56750  1.0 1.0
   39    33    53    49  -0.07550 -1.0 2.0
   39    33    53    49   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    58   0.86500  1.0 1.0
   39    33    53    58  -0.17500 -1.0 2.0
   39    33    53    58   0.20800  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   55    67    60    61  10.50000 -1.0 2.0
   73    89    67    60   4.00000 -1.0 2.0
   78    74    73    67   1.10000 -1.0 2.0
   84    79    78    73   1.10000 -1.0 2.0
   85    87    84    78   4.00000 -1.0 2.0
   89    86    85    84   1.10000 -1.0 2.0
   85    90    89    67   1.10000 -1.0 2.0
END
