* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    165    234     475
    1     0 S   NP   _N1_     1    28.66574    95.99317   -23.82947
    2     1 S   H    _HN1     2     1.02787   107.39014   -96.61377
    3     1 S   H    _H1_     3     1.02949    75.15586     8.37358
    4     1 S   H    _H2_     4     1.02828    34.18156   166.96672
    5     1 S   CT   _CA1     5     1.50115   135.02047   112.55725
    6     5 S   HC   _HA1     6     1.09573   105.18349    88.48848
    7     5 S   CO3  _C1_     7     1.53781   112.47966   -31.73549
    8     7 S   O2Z  _O11     8     1.26373   115.00422   -42.22042
    9     7 S   O2Z  _O12     9     1.26241   114.94690   136.88718
   10     5 S   CT   _CB1    10     1.53074   107.41718  -153.52893
   11    10 S   HC   HB11    11     1.09835   109.35411   -49.61496
   12    10 S   HC   HB12    12     1.09812   110.45782    66.99072
   13    10 S   CT   _CG1    13     1.52997   112.61523  -170.58028
   14    13 S   HC   HG11    14     1.09578   110.66269   -66.29515
   15    13 S   HC   HG12    15     1.09671   109.75442    52.94026
   16    13 S   C    _CD1    16     1.51802   112.16991   173.39889
   17    16 S   O    _OE1    17     1.22734   123.26605     8.64527
   18    16 S   N    _N2_    18     1.38656   111.71456  -171.43402
   19    18 S   H    _HN2    19     1.01575   118.91581     1.60254
   20    18 S   CT1  _CA2    20     1.46198   123.37730   177.01253
   21    20 S   HC   _HA2    21     1.09736   109.40387     4.32305
   22    20 S   C    _C2_    22     1.53594   108.47804  -111.17268
   23    22 S   O    _O2_    23     1.23062   122.29636  -146.61363
   24    20 S   CT   _CB2    32     1.53430   111.70104   126.40366
   25    24 S   HC   HB21    33     1.09479   109.63289    56.12778
   26    24 S   HC   HB22    34     1.09369   109.71474   174.77063
   27    22 S   N    _N3_    24     1.38328   113.70905    40.70621
   28    27 S   H    _HN3    25     1.01574   119.61071    -3.05371
   29    24 S   S    _SG2    35     1.83015   111.29159   -64.21864
   30    27 S   CT   _CA3    26     1.45290   123.24156   177.25434
   31    30 S   HC   HA31    27     1.09548   107.48387   -65.26217
   32    30 S   HC   HA32    28     1.09556   108.01924    51.18736
   33    29 S   CT   _C17    36     1.86527   101.97706  -165.31703
   34    30 S   CO3  _C3_    29     1.52971   114.06420   173.19594
   35    34 S   O2Z  _O31    30     1.26379   116.07006    -0.99819
   36    34 S   O2Z  _O32    31     1.26429   114.41479   179.07148
   37    33 S   CO4  _C16    37     1.53612   110.21891    63.53141
   38    37 S   O    _O33    38     1.23183   122.66865    21.80584
   39    33 S   OS   _O36    85     1.43733   110.60898  -173.16264
   40    37 S   CM   _C15    39     1.50690   118.06125  -161.81662
   41    39 S   CT   _C21    86     1.42148   116.63869   -71.82869
   42    41 S   HC   _H28    87     1.09379   107.81352   174.15943
   43    41 S   HC   _H29    88     1.09280   111.92770    55.47792
   44    41 S   HC   _H30    89     1.09345   110.90866   -68.16099
   45    40 S   CM   _C14    40     1.34792   120.87918     9.90868
   46    40 S   CT   _C22    81     1.50511   114.15461  -167.74029
   47    46 S   HC   _H31    82     1.09498   110.13263   -70.11931
   48    46 S   HC   _H32    83     1.09239   113.52504   168.89466
   49    46 S   HC   _H33    84     1.09575   110.39845    49.63154
   50    45 S   CO4  _C19    41     1.50100   119.82617     3.84012
   51    50 S   O    _O34    42     1.22989   120.30347  -165.60236
   52    45 S   CT   _C13    50     1.51242   124.89136  -177.97977
   53    52 S   HC   _H23    51     1.09609   110.65960   -31.74735
   54    52 S   HC   _H24    52     1.09772   109.83493  -146.51887
   55    33 S   CT   _C18    43     1.53967   110.00156   -55.44060
   56    55 S   HC   _H3_    44     1.09793   111.61985    62.02740
   57    52 S   CT   _C12    53     1.53146   111.85410    91.30089
   58    57 S   HC   _H21    54     1.09720   109.83953   -58.84155
   59    57 S   HC   _H22    55     1.09703   109.98020    58.54814
   60    55 S   OS   _O35    45     1.42652   110.19060   -61.28186
   61    57 S   CT   _C11    56     1.52997   111.22592   179.90109
   62    61 S   HC   _H19    57     1.09680   109.55976    58.61083
   63    61 S   HC   _H20    58     1.09679   109.56114   -58.70141
   64    60 S   CT   _C20    46     1.42172   113.22317   151.03688
   65    64 S   HC   _H25    47     1.09325   108.24680   177.06262
   66    64 S   HC   _H26    48     1.09363   111.19804    57.84020
   67    64 S   HC   _H27    49     1.09401   110.28925   -64.46410
   68    61 S   CT   _C10    59     1.52955   111.32099   179.94405
   69    68 S   HC   _H17    60     1.09681   109.56747    58.65754
   70    68 S   HC   _H18    61     1.09681   109.56581   -58.62892
   71    68 S   CT   _C9_    62     1.52954   111.32773  -179.97202
   72    71 S   HC   _H15    63     1.09681   109.56662    58.63988
   73    71 S   HC   _H16    64     1.09681   109.56752   -58.64848
   74    71 S   CT   _C8_    65     1.52958   111.32685   179.98022
   75    74 S   HC   _H13    66     1.09681   109.56628   -58.63555
   76    74 S   HC   _H14    67     1.09682   109.56664    58.65095
   77    74 S   CT   _C7_    68     1.52959   111.33062  -180.00000
   78    77 S   HC   _H11    69     1.09682   109.56618    58.64044
   79    77 S   HC   _H12    70     1.09682   109.56657   -58.64591
   80    77 S   CT   _C6_    71     1.52957   111.33245   180.00000
   81    80 S   HC   _H9_    72     1.09684   109.57545    58.63928
   82    80 S   HC   _H10    73     1.09685   109.57574   -58.63042
   83    80 S   CT   _C5_    74     1.52846   111.32938  -179.97202
   84    83 S   HC   _H7_    75     1.09622   109.86648    58.86281
   85    83 S   HC   _H8_    76     1.09622   109.86583   -58.86575
   86    83 S   CT   _C4_    77     1.52037   111.49480   179.98022
   87    86 S   HC   _H4_    78     1.09469   111.00124    60.25728
   88    86 S   HC   _H5_    79     1.09449   110.26132   180.00000
   89    86 S   HC   _H6_    80     1.09469   111.00097   -60.26253
  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
  16   2   1   1  14   5   9  12   4   2   1   1  16   5   2   1
   1   9   4  10   5   4   6   2   9   5   4   4   9   5   4   3
   2   1   1   9   5   4   9   5   4   9   5   4   9   5   4   9
   5   4   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    55    56    60    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    50    51    55    56    60    64    46    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    50    55    56    60    52    46    47    48    49    39    41  
   40    45    55    46    39  
   41    42    43    44    40    50    55    56    60  
   45    50    51    55    52    53    54    57    46    47    48    49  
   42    43    44    55  
   43    44  
   44  
    0  
   50    51    55    56    60    52    53    54    57    58    59    61    46    47    48    49  
   47    48    49    50    52  
   48    49  
   49  
    0  
   51    55    56    60    64    52    53    54    57  
   55    56    60    52  
   53    54    57    58    59    61    62    63    68    55  
   54    57    58    59    61  
   57    58    59    61  
   56    60    64    65    66    67  
   60    64  
   58    59    61    62    63    68    69    70    71  
   59    61    62    63    68  
   61    62    63    68  
   64    65    66    67  
   62    63    68    69    70    71    72    73    74  
   63    68    69    70    71  
   68    69    70    71  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.522
   33    55   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    45   549.000  1.340
   40    46   317.000  1.510
   45    50   320.000  1.462
   45    52   317.000  1.510
   50    51   570.000  1.229
   50    55   317.000  1.522
   55    56   340.000  1.090
   55    60   320.000  1.410
   60    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    55    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    55    50    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    60    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    65.00000  118.96000
   37    40    46    65.00000  116.34900
   40    37    38    80.00000  123.72100
   40    45    50    65.00000  118.96000
   40    45    52    70.00000  124.00000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   45    50    51    80.00000  123.72100
   45    50    55    65.00000  118.62400
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    57    70.00000  112.02700
   50    55    56    35.00000  109.50000
   50    55    60    90.00000  108.74100
   55    33    37    63.00000  111.10000
   55    50    51    80.00000  120.40000
   55    60    64    60.00000  109.50000
   60    55    56    35.00000  109.50000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    45    50    65.00000  116.34900
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    61    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   46    40    45    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  108.74100
   39    33    55    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    60   0.56750  1.0 1.0
   29    33    55    60  -0.07550 -1.0 2.0
   29    33    55    60   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45  -0.33500  1.0 1.0
   33    37    40    45   1.06600 -1.0 2.0
   33    37    40    45  -0.14000  1.0 3.0
   33    37    40    46   0.25700  1.0 1.0
   33    37    40    46   0.66200 -1.0 2.0
   33    37    40    46   0.04450  1.0 3.0
   33    55    60    64   0.06250  1.0 1.0
   33    55    60    64  -0.01100 -1.0 2.0
   33    55    60    64   0.28050  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    55    50   0.11950  1.0 1.0
   37    33    55    50   0.20300 -1.0 2.0
   37    33    55    50  -0.70800  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    60  -0.09450  1.0 1.0
   37    33    55    60  -1.12950 -1.0 2.0
   37    33    55    60   0.54000  1.0 3.0
   37    33    39    41  -1.11000  1.0 1.0
   37    33    39    41   0.50250 -1.0 2.0
   37    33    39    41   0.47450  1.0 3.0
   37    40   -45    50   7.00000 -1.0 2.0
   37    40    45    52   7.00000 -1.0 2.0
   37    40    46    47   0.15000  1.0 3.0
   37    40    46    48   0.15000  1.0 3.0
   37    40    46    49   0.15000  1.0 3.0
   38    37    40    45   1.00000 -1.0 2.0
   38    37    40    46  -0.64400  1.0 1.0
   38    37    40    46   0.26850 -1.0 2.0
   40    45    50    51   1.00000 -1.0 2.0
   40    45    50    55  -0.33500  1.0 1.0
   40    45    50    55   1.06600 -1.0 2.0
   40    45    50    55  -0.14000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    57   0.09850  1.0 1.0
   40    45    52    57   0.15250 -1.0 2.0
   40    45    52    57  -0.50650  1.0 3.0
   45    40    46    47   0.00000  1.0 1.0
   45    40    46    48   0.00000  1.0 1.0
   45    40    46    49   0.00000  1.0 1.0
   45    50   -55    33   0.65300  1.0 1.0
   45    50   -55    33  -0.03850 -1.0 2.0
   45    50   -55    33   0.33900  1.0 3.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    60   0.65300  1.0 1.0
   45    50    55    60  -0.03850 -1.0 2.0
   45    50    55    60   0.33900  1.0 3.0
   45    52    57    58   0.15000  1.0 3.0
   45    52    57    59   0.15000  1.0 3.0
   45    52    57    61   0.34400  1.0 1.0
   45    52    57    61   0.09450 -1.0 2.0
   45    52    57    61   0.11100  1.0 3.0
   50    45    52    53   0.15000  1.0 3.0
   50    45    52    54   0.15000  1.0 3.0
   50    45    52    57   0.09700  1.0 1.0
   50    45    52    57   0.15600 -1.0 2.0
   50    45    52    57  -0.50800  1.0 3.0
   50    55    60    64  -1.11000  1.0 1.0
   50    55    60    64   0.50250 -1.0 2.0
   50    55    60    64   0.47450  1.0 3.0
   51    50    55    33   0.30150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    60   0.30150 -1.0 2.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33   -37    40   0.65300  1.0 1.0
   55    33   -37    40  -0.03850 -1.0 2.0
   55    33   -37    40   0.33900  1.0 3.0
   55    33    39    41   0.06250  1.0 1.0
   55    33    39    41  -0.01100 -1.0 2.0
   55    33    39    41   0.28050  1.0 3.0
   55    60    64    65   0.37050  1.0 3.0
   55    60    64    66   0.37050  1.0 3.0
   55    60    64    67   0.37050  1.0 3.0
   56    55    60    64   0.37050  1.0 3.0
   52    45    50    51  -0.64400  1.0 1.0
   52    45    50    51   0.26850 -1.0 2.0
   52    45    50    55   0.25700  1.0 1.0
   52    45    50    55   0.66200 -1.0 2.0
   52    45    50    55   0.04450  1.0 3.0
   52    57    61    62   0.15000  1.0 3.0
   52    57    61    63   0.15000  1.0 3.0
   52    57    61    68   0.56750  1.0 1.0
   52    57    61    68  -0.07550 -1.0 2.0
   52    57    61    68   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    61   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    61   0.15000  1.0 3.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.56750  1.0 1.0
   57    61    68    71  -0.07550 -1.0 2.0
   57    61    68    71   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    68   0.15000  1.0 3.0
   61    68    71    72   0.15000  1.0 3.0
   61    68    71    73   0.15000  1.0 3.0
   61    68    71    74   0.56750  1.0 1.0
   61    68    71    74  -0.07550 -1.0 2.0
   61    68    71    74   0.20000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   63    61    68    71   0.15000  1.0 3.0
   68    71    74    75   0.15000  1.0 3.0
   68    71    74    76   0.15000  1.0 3.0
   68    71    74    77   0.56750  1.0 1.0
   68    71    74    77  -0.07550 -1.0 2.0
   68    71    74    77   0.20000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74    77    80   0.56750  1.0 1.0
   71    74    77    80  -0.07550 -1.0 2.0
   71    74    77    80   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   0.56750  1.0 1.0
   74    77    80    83  -0.07550 -1.0 2.0
   74    77    80    83   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86   0.56750  1.0 1.0
   77    80    83    86  -0.07550 -1.0 2.0
   77    80    83    86   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   46    40    45    50   7.00000 -1.0 2.0
   46    40    45    52   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    55    50  -0.09450  1.0 1.0
   39    33    55    50  -1.12950 -1.0 2.0
   39    33    55    50   0.54000  1.0 3.0
   39    33    55    56   0.23400  1.0 3.0
   39    33    55    60   1.11900  1.0 1.0
   39    33    55    60  -1.16350 -1.0 2.0
   39    33    55    60  -0.34150  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
   33    40    37    38  10.50000 -1.0 2.0
   37    46    40    45   1.10000 -1.0 2.0
   50    52    45    40   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
END
