* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    194    318     587
    1     0 S   NP   _N1_     1    28.99028    94.35425   -19.05666
    2     1 S   H    _HN1     2     1.02777    77.77690   -64.98967
    3     1 S   H    _H1_     3     1.03058   104.71518    40.63003
    4     1 S   H    _H2_     4     1.02800    33.30588   139.87190
    5     1 S   CT   _CA1     5     1.50210   137.60671  -174.48214
    6     5 S   HC   _HA1     6     1.09573   105.25165    37.95687
    7     5 S   CO3  _C1_     7     1.53705   112.64748   -82.08952
    8     7 S   O2Z  _O11     8     1.26322   115.15417   -40.52167
    9     7 S   O2Z  _O12     9     1.26244   114.97858   138.66197
   10     5 S   CT   _CB1    10     1.52909   106.94887   155.69586
   11    10 S   HC   HB11    11     1.09820   108.99864   -51.89728
   12    10 S   HC   HB12    12     1.09715   110.39646    64.41424
   13    10 S   CT   _CG1    13     1.52849   113.47426  -173.67662
   14    13 S   HC   HG11    14     1.09568   110.22568   -63.11751
   15    13 S   HC   HG12    15     1.09585   110.52076    56.40852
   16    13 S   C    _CD1    16     1.51757   111.17795   176.08603
   17    16 S   O    _OE1    17     1.22806   122.93181   -21.68450
   18    16 S   N    _N2_    18     1.38471   112.20334   159.47061
   19    18 S   H    _HN2    19     1.01579   119.31748     0.74230
   20    18 S   CT1  _CA2    20     1.46044   122.88093  -178.65186
   21    20 S   HC   _HA2    21     1.09739   109.30194   -15.12101
   22    20 S   C    _C2_    22     1.53429   108.38488  -130.74657
   23    22 S   O    _O2_    23     1.23011   122.27678  -146.17637
   24    20 S   CT   _CB2    32     1.53415   111.78878   106.72814
   25    24 S   HC   HB21    33     1.09590   110.00603    57.57090
   26    24 S   HC   HB22    34     1.09408   109.47153   176.23085
   27    22 S   N    _N3_    24     1.38524   113.34664    41.22507
   28    27 S   H    _HN3    25     1.01532   118.91015    -0.55778
   29    24 S   S    _SG2    35     1.83150   112.45860   -63.40751
   30    27 S   CT   _CA3    26     1.45444   123.40806   175.12018
   31    30 S   HC   HA31    27     1.09527   109.17367    25.48246
   32    30 S   HC   HA32    28     1.09494   107.13255   142.47640
   33    29 S   CT   _C21    36     1.86344    99.51123   178.71214
   34    33 S   HC   _H11    37     1.09749   104.01752   -41.02716
   35    30 S   CO3  _C3_    29     1.52931   113.18303   -97.95272
   36    35 S   O2Z  _O31    30     1.26398   115.44365   -43.66847
   37    35 S   O2Z  _O32    31     1.26361   114.96127   137.28930
   38    33 S   CT   _C22    38     1.54702   105.71858    74.44980
   39    38 S   HC   _H12    39     1.09700   112.65049    13.05261
   40    38 S   CO4  _C23    40     1.51432   115.23809   133.52242
   41    40 S   O    _O38    41     1.23376   121.26980   141.07470
   42    38 S   OH   _O39    97     1.42562   108.38754  -105.03586
   43    42 S   HO   _H23    98     0.97340   107.41780   178.53674
   44    40 S   CT   _C5_    42     1.51566   118.19664   -43.28050
   45    44 S   HC   _H3_    43     1.09874   105.43659   146.26920
   46    44 S   CT   _C6_    44     1.54930   113.61734    27.32852
   47    46 S   HC   _H4_    45     1.09923   107.36138   -93.35333
   48    44 S   CT   _C4_    93     1.52884   108.57007   -97.86360
   49    48 S   HC   _H13    94     1.09577   111.16429    63.82200
   50    48 S   HC   _H14    95     1.09568   110.85811   -55.36211
   51    48 S   HC   _H15    96     1.09399   111.47159  -175.35480
   52    46 S   CT   _C7_    46     1.54617   108.98144   150.84963
   53    52 S   HC   _H16    47     1.09545   110.88966   -63.21654
   54    52 S   HC   _H17    48     1.09724   108.76232    53.41366
   55    52 S   CT   _C8_    49     1.52283   112.62756   173.36993
   56    55 S   HC   _H5_    50     1.09763   108.07408   179.24385
   57    55 S   CT   _C9_    51     1.52373   113.34892    56.16316
   58    55 S   OS   _O35    63     1.45649   106.38640   -67.46702
   59    57 S   CT   _C10    52     1.53328   115.93081    82.15218
   60    59 S   HC   _H18    53     1.08632   116.35469   -89.30178
   61    59 S   HC   _H19    54     1.09651   112.01103    34.59198
   62    57 S   CT   _C19    75     1.58426   112.04993   -48.87668
   63    62 S   HC   _H10    76     1.09485   102.96342   -65.79010
   64    59 S   OS   _O33    55     1.44827   105.60901   150.81145
   65    33 S   CT   _C20    77     1.58879   115.28333  -157.39860
   66    64 S   CT   _C11    56     1.46280   108.26240   -11.45994
   67    65 S   CT   _C24    78     1.55937   106.35991   162.36564
   68    67 S   HC   _H24    79     1.09091   112.37830   -60.09847
   69    67 S   HC   _H25    80     1.08838   112.91370   176.53141
   70    67 S   HC   _H26    81     1.09215   113.24231    57.51002
   71    57 S   CT   _C12    57     1.53464   106.55594  -171.52483
   72    71 S   HC   _H6_    58     1.10546   108.46094   -58.88406
   73    66 S   CT   _C17    71     1.54422   106.88445    98.95549
   74    73 S   HC   _H8_    72     1.09738   109.26283    68.08810
   75    66 S   CO4  _C25    86     1.52454   103.73511  -139.26865
   76    75 S   O    _O42    87     1.22596   124.20895    21.53446
   77    71 S   CT   _C13    59     1.51828   113.93090    57.88984
   78    77 S   HC   _H7_    60     1.09200   113.29748    67.42486
   79    73 S   CT   _C18    73     1.54717   111.53283   -52.39429
   80    79 S   HC   _H9_    74     1.09474   108.97248  -162.09013
   81    73 S   OH   _O41    84     1.42404   112.20646  -173.10315
   82    81 S   HO   _H28    85     0.97564   108.42769   -60.47009
   83    75 S   OS   _O43    88     1.36206   110.98926  -159.56863
   84    77 S   CO4  _C14    61     1.52348   109.83593   -52.33345
   85    84 S   O    _O34    62     1.22742   123.13454  -145.03201
   86    77 S   OS   _O36    64     1.43978   107.55592  -170.72731
   87    79 S   OH   _O40    82     1.42233   108.33111    82.58728
   88    87 S   HO   _H27    83     0.97242   107.91096    60.71366
   89    83 S   CT   _C26    89     1.43102   115.23296   178.92371
   90    89 S   HC   _H29    90     1.09290   108.28573  -178.08807
   91    89 S   HC   _H30    91     1.09417   110.19099    63.17963
   92    89 S   HC   _H31    92     1.09428   110.35243   -59.41309
   93    86 S   CO4  _C15    65     1.36172   118.24056  -157.76815
   94    93 S   O    _O37    66     1.22329   126.67322     1.03022
   95    93 S   CT   _C16    67     1.49836   109.65101  -179.63523
   96    95 S   HC   _H20    68     1.09148   109.84906   -74.24859
   97    95 S   HC   _H21    69     1.09383   109.26079   166.12507
   98    95 S   HC   _H22    70     1.09326   110.07978    47.73543
  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
  20   8   2   1   1  12   6  13   5   3   1  14   8  20   8   5
   2   1   1  12   6   5  17   6  21   8  13   5   4  18   7  11
   9  17   4   2   1   1  14   6  11   6   9   2   7   4   5   3
   2   1   4   3   1   6   1   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    62    65    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    52    57    79    62    63    65    67    68    69    70    42    43  
   38    39    40    46    62    65    67    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    62    65    67    48    42    43  
   40    41    44    65    42    43  
   41    44    45    46    47    52    65    48    49    50    51    42    43  
   44    45    46    48    42  
   43    44    65  
    0  
   45    46    47    52    53    54    55    62    65    67    48    49    50    51  
   46    47    52    65    48    49    50    51  
   47    52    53    54    55    56    57    58    79    62    63    65    67    68    69    70    48    49    50    51  
   52    53    54    55    62    65    67    48  
   49    50    51    52    65  
   50    51  
   51  
    0  
   53    54    55    56    57    59    71    84    58    62    65    67  
   54    55    56    57    58    65  
   55    56    57    58    65  
   56    57    59    60    61    64    66    71    72    77    84    85    58    79    62    63    65  
   57    59    71    84    58    62  
   59    60    61    64    66    71    72    77    78    84    58    86    73    79    80    62    63    65    67    87    75  
   86    62    59    71    77    78    84    85  
   60    61    64    66    71    72    77    73    79    62    63    65    75  
   61    64    66    71    62  
   64    66    71    62  
   63    65    67    68    69    70    87    88    81    64    66    71    72    73    74    77    79    80  
   65    67    87    71    73    79    80  
   66    71    72    77    73    74    79    81    75    76    83  
   67    68    69    70    87    71    73    79    80  
   71    72    77    78    84    86    73    74    79    80    87    81    82    75    76    83    89  
   68    69    70    79  
   69    70  
   70  
    0  
   72    77    78    84    85    86    93    73    74    79    81    75    76    83  
   77    78    84    86    73    75  
   74    79    80    87    88    81    82    75    76    83    77  
   79    80    87    81    82    75  
   76    83    89    90    91    92    77    79    81  
   83    89  
   78    84    85    86    93    94    95  
   84    85    86    93  
   80    87    88    81    82  
   87    88    81  
   82    87  
    0  
   89    90    91    92  
   85    86    93  
   86  
   93    94    95    96    97    98  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    65   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    52   268.000  1.529
   46    65   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    58   320.000  1.410
   57    59   268.000  1.529
   57    71   268.000  1.529
   57    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    66   320.000  1.410
   66    71   268.000  1.529
   66    73   268.000  1.529
   66    75   317.000  1.522
   71    72   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    84   317.000  1.522
   77    86   320.000  1.410
   84    85   570.000  1.229
   84    58   214.000  1.327
   86    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    62   268.000  1.529
   79    87   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   65    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   87    88   553.000  0.945
   81    82   553.000  0.945
   75    76   570.000  1.229
   75    83   214.000  1.327
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    65    46    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    67    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    46    63.00000  111.10000
   40    44    48    63.00000  111.10000
   44    40    41    80.00000  120.40000
   44    46    47    37.50000  110.70000
   44    46    52    58.35000  112.70000
   44    46    65    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    58.35000  112.70000
   46    65    62    58.35000  112.70000
   46    65    67    58.35000  112.70000
   52    46    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    58    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    71    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    58    84    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    64    50.00000  109.50000
   57    71    66    58.35000  112.70000
   57    71    72    37.50000  110.70000
   57    71    77    58.35000  112.70000
   57    62    79    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   59    64    66    60.00000  109.50000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    66    71    50.00000  109.50000
   64    66    73    50.00000  109.50000
   64    66    75    90.00000  108.74100
   66    71    72    37.50000  110.70000
   66    71    77    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    79    58.35000  112.70000
   66    73    81    50.00000  109.50000
   66    75    76    80.00000  120.40000
   66    75    83    81.00000  111.40000
   71    57    59    58.35000  112.70000
   71    77    78    37.50000  110.70000
   71    77    84    63.00000  111.10000
   71    77    86    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    84    85    80.00000  120.40000
   77    84    58    81.00000  111.40000
   77    86    93    83.00000  116.90000
   84    77    78    35.00000  109.50000
   58    55    56    35.00000  109.50000
   58    55    57    50.00000  109.50000
   58    84    85    83.00000  123.40000
   86    77    78    35.00000  109.50000
   86    77    84    90.00000  108.74100
   86    93    94    83.00000  123.40000
   86    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   73    66    71    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    62    58.35000  112.70000
   73    79    87    50.00000  109.50000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    62    63    37.50000  110.70000
   79    62    65    58.35000  112.70000
   79    87    88    55.00000  108.50000
   62    57    59    58.35000  112.70000
   62    57    71    58.35000  112.70000
   62    79    80    37.50000  110.70000
   62    65    67    58.35000  112.70000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    46    47    37.50000  110.70000
   65    46    52    58.35000  112.70000
   65    62    63    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   87    79    80    35.00000  109.50000
   87    79    62    50.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    66    71    63.00000  111.10000
   75    66    73    63.00000  111.10000
   75    83    89    83.00000  116.90000
   83    75    76    83.00000  123.40000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
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   65    46   -52    55   0.20000  1.0 3.0
   87    79    62    57   0.86500  1.0 1.0
   87    79    62    57  -0.17500 -1.0 2.0
   87    79    62    57   0.20800  1.0 3.0
   87    79    62    63   0.23400  1.0 3.0
   87    79    62    65   0.86500  1.0 1.0
   87    79    62    65  -0.17500 -1.0 2.0
   87    79    62    65   0.20800  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    62   0.86500  1.0 1.0
   81    73    79    62  -0.17500 -1.0 2.0
   81    73    79    62   0.20800  1.0 3.0
   81    73    79    87   3.75450  1.0 1.0
   75    66    71    57  -0.95700  1.0 1.0
   75    66    71    57  -0.18200 -1.0 2.0
   75    66    71    57   0.29450  1.0 3.0
   75    66    71    72  -0.11250  1.0 3.0
   75    66    71    77  -0.95700  1.0 1.0
   75    66    71    77  -0.18200 -1.0 2.0
   75    66    71    77   0.29450  1.0 3.0
   75    66    73    74  -0.11250  1.0 3.0
   75    66    73    79  -0.95700  1.0 1.0
   75    66    73    79  -0.18200 -1.0 2.0
   75    66    73    79   0.29450  1.0 3.0
   75    66    73    81  -0.09450  1.0 1.0
   75    66    73    81  -1.12950 -1.0 2.0
   75    66    73    81   0.54000  1.0 3.0
   75    83    89    90   0.08050  1.0 3.0
   75    83    89    91   0.08050  1.0 3.0
   75    83    89    92   0.08050  1.0 3.0
   76    75    83    89   3.00000 -1.0 2.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    52   0.56750  1.0 1.0
   48    44    46    52  -0.07550 -1.0 2.0
   48    44    46    52   0.20000  1.0 3.0
   48    44    46    65   0.56750  1.0 1.0
   48    44    46    65  -0.07550 -1.0 2.0
   48    44    46    65   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.55300  1.0 1.0
   42    38    40    44   1.25850 -1.0 2.0
   42    38    40    44  -0.23600  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
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   77    58    84    85  10.50000 -1.0 2.0
   86    95    93    94  10.50000 -1.0 2.0
   66    83    75    76  10.50000 -1.0 2.0
END
