* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    168    250     476
    1     0 S   NP   _N1_     1    29.00583    95.20798   -18.46747
    2     1 S   H    _HN1     2     1.02781    75.31234   -51.91691
    3     1 S   H    _H1_     3     1.02936   104.11693    53.71741
    4     1 S   H    _H2_     4     1.02840    35.84062   153.34381
    5     1 S   CT   _CA1     5     1.50119   139.08429  -159.11024
    6     5 S   HC   _HA1     6     1.09572   105.23314    31.45264
    7     5 S   CO3  _C1_     7     1.53892   112.35025   -88.73801
    8     7 S   O2Z  _O11     8     1.26353   115.01707   -43.68157
    9     7 S   O2Z  _O12     9     1.26240   114.91596   135.44208
   10     5 S   CT   _CB1    10     1.53098   107.44401   149.35045
   11    10 S   HC   HB11    11     1.09805   109.50075   -49.86031
   12    10 S   HC   HB12    12     1.09811   110.39797    66.76008
   13    10 S   CT   _CG1    13     1.52990   112.58502  -171.08128
   14    13 S   HC   HG11    14     1.09510   110.06366   -58.41221
   15    13 S   HC   HG12    15     1.09596   110.39741    60.59612
   16    13 S   C    _CD1    16     1.51811   111.83236  -179.39899
   17    16 S   O    _OE1    17     1.22741   122.94873   -24.35687
   18    16 S   N    _N2_    18     1.38496   111.85759   156.54466
   19    18 S   H    _HN2    19     1.01570   118.86948     2.03778
   20    18 S   CT1  _CA2    20     1.46223   123.78665  -175.78188
   21    20 S   HC   _HA2    21     1.09730   109.22048   -23.50734
   22    20 S   C    _C2_    22     1.53432   107.85326  -139.19767
   23    22 S   O    _O2_    23     1.22989   122.41923  -144.71622
   24    20 S   CT   _CB2    32     1.53730   111.36386    98.95044
   25    24 S   HC   HB21    33     1.09460   109.74345    50.84843
   26    24 S   HC   HB22    34     1.09478   110.28794   169.67288
   27    22 S   N    _N3_    24     1.38558   113.20399    42.55783
   28    27 S   H    _HN3    25     1.01543   118.91954    -0.29805
   29    24 S   S    _SG2    35     1.82927   111.77061   -71.49948
   30    27 S   CT   _CA3    26     1.45441   123.38178   175.21455
   31    30 S   HC   HA31    27     1.09528   109.15213    25.82208
   32    30 S   HC   HA32    28     1.09492   107.13556   142.82170
   33    29 S   CT   _C17    36     1.85124   101.81189   155.73232
   34    30 S   CO3  _C3_    29     1.52933   113.20432   -97.59179
   35    34 S   O2Z  _O31    30     1.26395   115.45601   -42.98177
   36    34 S   O2Z  _O32    31     1.26361   114.94376   137.96556
   37    33 S   CT   _C12    37     1.56242   116.32811   -65.82606
   38    37 S   HC   _H33    38     1.09723   109.80697    93.59354
   39    33 S   CT   _C22    87     1.54714   107.92471    58.71612
   40    39 S   HC   _H49    88     1.09640   111.48563    55.35824
   41    39 S   HC   _H50    89     1.09508   111.94922   -65.99346
   42    39 S   HC   _H51    90     1.09531   112.05346   175.04947
   43    37 S   CO4  _C4_    39     1.52589   100.59351  -152.48654
   44    43 S   O    _O22    40     1.22594   124.05620  -163.88185
   45    37 S   CT   _C24    76     1.53909   117.29225   -32.88117
   46    45 S   HC   _H55    77     1.09543   111.16062   -59.92809
   47    45 S   HC   _H56    78     1.09191   110.54955    57.19982
   48    43 S   CT   _C11    41     1.50872   113.25194    15.12360
   49    48 S   HC   _H31    42     1.09252   109.82829   129.53717
   50    48 S   HC   _H32    43     1.09337   108.53713  -109.28667
   51    45 S   CM   _C7_    79     1.50521   113.31617   179.44503
   52    51 S   HC   _H30    80     1.08901   115.53577    86.24129
   53    33 S   CT   _C15    44     1.55611   109.15107   177.33832
   54    53 S   HC   _H36    45     1.09712   111.75562   -74.16560
   55    51 S   CM   _C6_    81     1.34150   127.20280   -95.87092
   56    55 S   HC   _H29    82     1.08842   117.41158  -177.87569
   57    53 S   OS   _O26    46     1.44460   110.76927    48.51913
   58    55 S   CT   _C18    83     1.49215   127.22929     3.03912
   59    58 S   HC   _H37    84     1.09401   110.02323  -112.06094
   60    58 S   HC   _H38    85     1.09468   109.54650   129.14322
   61    58 S   HC   _H39    86     1.09179   113.04243     9.54996
   62    57 S   CO4  _C10    47     1.35931   117.43879  -160.40255
   63    62 S   O    _O24    48     1.22211   126.94265     0.01978
   64    62 S   C3T  _C14    49     1.47924   110.57588   179.11707
   65    64 S   HC   _H35    50     1.08715   112.62317   -73.36850
   66    64 S   C3T  _C13    51     1.51471   120.21253   142.61799
   67    66 S   HC   _H34    52     1.08693   116.58435    -2.36306
   68    64 S   C3T  _C16    53     1.52057   120.80127    71.59430
   69    66 S   CM   _C5_    62     1.47216   118.99601   138.58153
   70    69 S   HC   _H28    63     1.08892   114.38524   -28.78538
   71    68 S   CT   _C20    54     1.51004   120.15736     4.42793
   72    71 S   HC   _H43    55     1.09458   110.47229   -81.90158
   73    71 S   HC   _H44    56     1.09518   110.11741   158.66899
   74    71 S   HC   _H45    57     1.09494   112.46572    38.86518
   75    68 S   CT   _C21    58     1.50927   116.64475  -138.70519
   76    75 S   HC   _H46    59     1.09434   109.89280    89.79446
   77    75 S   HC   _H47    60     1.09498   112.71675   -29.86475
   78    75 S   HC   _H48    61     1.09486   110.44540  -150.90795
   79    69 S   CM   _C8_    64     1.34761   126.84349   152.04219
   80    79 S   CO4  _C9_    65     1.49388   116.82738  -179.94766
   81    80 S   O    _O23    66     1.22285   124.64251     1.49358
   82    79 S   CT   _C19    72     1.50066   124.08504    -0.17132
   83    82 S   HC   _H40    73     1.09512   110.47798   120.40370
   84    82 S   HC   _H41    74     1.09511   110.40679  -119.31101
   85    82 S   HC   _H42    75     1.09396   112.77118     0.60813
   86    80 S   OS   _O25    67     1.36055   109.72512  -178.63269
   87    86 S   CT   _C23    68     1.43100   115.40789   180.00000
   88    87 S   HC   _H52    69     1.09328   108.09098  -179.90721
   89    87 S   HC   _H53    70     1.09422   110.28278    61.40860
   90    87 S   HC   _H54    71     1.09423   110.29227   -61.21987
  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
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   7   3   5   2   5   4   6   3   2   1   1   9   4  15
   6  15   6  11  11   3   7   3   2   1   3   2   1   1   8  10
   3   4   2   1   1   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    57    62    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    57    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    57  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    57    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    58    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    57    62  
   50    53    54    57  
   53    54    57  
   52    55    56    58    59    60    61  
   55    56    58  
   54    57    62    63    64  
   57    62  
   56    58    59    60    61  
   58    59    60    61  
   62    63    64    65    66    68  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    71    75    69  
   64    65    66    68  
   65    66    67    68    71    72    73    74    75    76    77    78    69    70    79  
   66    67    68    71    75    69  
   67    68    71    72    73    74    75    76    77    78    69    70    79    80    82  
   68    71    75    69    70    79  
   71    72    73    74    75    76    77    78    69    70    79  
   70    79    80    81    86    82    83    84    85    71    75  
   79    80    82  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    86    87    82    83    84    85  
   81    86    87    88    89    90    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    62   214.000  1.327
   62    63   570.000  1.229
   62    64   290.000  1.496
   64    65   340.000  1.088
   64    66   260.000  1.509
   64    68   260.000  1.509
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    69   305.000  1.480
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   320.000  1.462
   79    82   317.000  1.510
   80    81   570.000  1.229
   80    86   214.000  1.327
   86    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  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    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    62    83.00000  116.90000
   57    53    54    35.00000  109.50000
   57    62    63    83.00000  123.40000
   57    62    64    81.00000  111.40000
   62    64    65    40.00000  116.18000
   62    64    66    65.00000  117.18000
   62    64    68    65.00000  117.18000
   64    62    63    75.00000  121.36600
   64    66    67    37.50000  117.20000
   64    66    68    10.00000   60.00500
   64    66    69    60.00000  120.58800
   64    68    66    10.00000   60.00500
   64    68    71    60.00000  120.94000
   64    68    75    60.00000  120.94000
   66    64    65    37.50000  117.20000
   66    68    71    60.00000  120.94000
   66    68    75    60.00000  120.94000
   66    69    70    40.00000  117.24000
   66    69    79    55.00000  125.06700
   68    64    65    37.50000  117.20000
   68    64    66    10.00000   60.00500
   68    66    67    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    66    67    40.00000  112.45000
   69    66    68    60.00000  120.58800
   69    79    80    65.00000  118.96000
   69    79    82    70.00000  124.00000
   79    69    70    35.00000  120.00000
   79    80    81    80.00000  123.72100
   79    80    86    90.00000  111.29400
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    83.00000  116.90000
   86    80    81    83.00000  123.40000
   86    87    88    35.00000  109.50000
   86    87    89    35.00000  109.50000
   86    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    79    80    65.00000  116.34900
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   58    55    56    35.00000  117.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   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    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    57    62  -0.25900  1.0 1.0
   33    53    57    62  -0.47000 -1.0 2.0
   33    53    57    62   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  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    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    57  -0.09450  1.0 1.0
   43    48    53    57  -1.12950 -1.0 2.0
   43    48    53    57   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    57    62  -0.25900  1.0 1.0
   48    53    57    62  -0.47000 -1.0 2.0
   48    53    57    62   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    57    62    63   3.00000 -1.0 2.0
   53    57    62    64   1.63150  1.0 1.0
   53    57    62    64   2.92000 -1.0 2.0
   54    53    57    62   0.08050  1.0 3.0
   57    62    64    65   0.00000  1.0 1.0
   57    62    64    66   0.36750  1.0 3.0
   57    62    64    68   0.36750  1.0 3.0
   62    64    66    67   0.15000  1.0 3.0
   62    64   -66    68  -0.95700  1.0 1.0
   62    64   -66    68  -0.18200 -1.0 2.0
   62    64   -66    68   0.29450  1.0 3.0
   62    64    66    69  -0.98800  1.0 1.0
   62    64    66    69   0.48800 -1.0 2.0
   62    64    66    69   0.76800  1.0 3.0
   62    64   -68    66  -0.95700  1.0 1.0
   62    64   -68    66  -0.18200 -1.0 2.0
   62    64   -68    66   0.29450  1.0 3.0
   62    64    68    71  -0.95700  1.0 1.0
   62    64    68    71  -0.18200 -1.0 2.0
   62    64    68    71   0.29450  1.0 3.0
   62    64    68    75  -0.95700  1.0 1.0
   62    64    68    75  -0.18200 -1.0 2.0
   62    64    68    75   0.29450  1.0 3.0
   63    62    64    65   0.50000  1.0 3.0
   63    62    64    66   0.30150 -1.0 2.0
   63    62    64    68   0.30150 -1.0 2.0
   64    66   -68    71   0.07850  1.0 1.0
   64    66   -68    71  -0.03950 -1.0 2.0
   64    66   -68    71   0.67350  1.0 3.0
   64    66   -68    75   0.07850  1.0 1.0
   64    66   -68    75  -0.03950 -1.0 2.0
   64    66   -68    75   0.67350  1.0 3.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    79   0.09850  1.0 1.0
   64    66    69    79   0.15250 -1.0 2.0
   64    66    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64   -66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64   -68    66   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64   -68    71   0.07850  1.0 1.0
   66    64   -68    71  -0.03950 -1.0 2.0
   66    64   -68    71   0.67350  1.0 3.0
   66    64   -68    75   0.07850  1.0 1.0
   66    64   -68    75  -0.03950 -1.0 2.0
   66    64   -68    75   0.67350  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68    71    74   0.15000  1.0 3.0
   66    68    75    76   0.15000  1.0 3.0
   66    68    75    77   0.15000  1.0 3.0
   66    68    75    78   0.15000  1.0 3.0
   66    69    79    80   7.00000 -1.0 2.0
   66    69    79    82   7.00000 -1.0 2.0
   67    66   -68    64   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    75   0.15000  1.0 3.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    79   0.00000  1.0 1.0
   68    64   -66    67   0.15000  1.0 3.0
   68    64   -66    69   0.34400  1.0 1.0
   68    64   -66    69   0.09450 -1.0 2.0
   68    64   -66    69   0.11100  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    79   0.09850  1.0 1.0
   68    66    69    79   0.15250 -1.0 2.0
   68    66    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   69    66   -68    64   0.34400  1.0 1.0
   69    66   -68    64   0.09450 -1.0 2.0
   69    66   -68    64   0.11100  1.0 3.0
   69    66    68    71   0.34400  1.0 1.0
   69    66    68    71   0.09450 -1.0 2.0
   69    66    68    71   0.11100  1.0 3.0
   69    66    68    75   0.34400  1.0 1.0
   69    66    68    75   0.09450 -1.0 2.0
   69    66    68    75   0.11100  1.0 3.0
   69    79    80    81   1.00000 -1.0 2.0
   69    79    80    86  -0.56150  1.0 1.0
   69    79    80    86   2.19150 -1.0 2.0
   69    79    82    83   0.00000  1.0 1.0
   69    79    82    84   0.00000  1.0 1.0
   69    79    82    85   0.00000  1.0 1.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    82   7.00000 -1.0 2.0
   79    80    86    87   2.00000 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   80    86    87    88   0.08050  1.0 3.0
   80    86    87    89   0.08050  1.0 3.0
   80    86    87    90   0.08050  1.0 3.0
   81    80    86    87   3.00000 -1.0 2.0
   82    79    80    81  -0.64400  1.0 1.0
   82    79    80    81   0.26850 -1.0 2.0
   82    79    80    86  -0.15000  1.0 1.0
   82    79    80    86   0.89550 -1.0 2.0
   82    79    80    86  -0.06900  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    58   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55    58    61   0.00000  1.0 1.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    58   7.00000 -1.0 2.0
   56    55    58    59   0.33100  1.0 3.0
   56    55    58    60   0.33100  1.0 3.0
   56    55    58    61   0.33100  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    57   0.62750  1.0 1.0
   39    33    53    57  -0.30950 -1.0 2.0
   39    33    53    57   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   57    64    62    63  10.50000 -1.0 2.0
   66    70    69    79  15.00000 -1.0 2.0
   80    82    79    69  15.00000 -1.0 2.0
   79    86    80    81  10.50000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   58    56    55    51  15.00000 -1.0 2.0
END
