* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    164    250     484
    1     0 S   NP   _N1_     1    28.79309    97.53264   -23.57516
    2     1 S   H    _HN1     2     1.02952    65.67356    17.05342
    3     1 S   H    _H1_     3     1.02829    44.83050   172.82307
    4     1 S   H    _H2_     4     1.02785   104.95394   -86.66263
    5     1 S   CT   _CA1     5     1.50117   141.31835   109.74882
    6     5 S   HC   _HA1     6     1.09575   105.19636   101.44698
    7     5 S   CO3  _C1_     7     1.53792   112.46008   -18.77293
    8     7 S   O2Z  _O11     8     1.26371   115.00587   -42.38660
    9     7 S   O2Z  _O12     9     1.26243   114.94809   136.73876
   10     5 S   CT   _CB1    10     1.53083   107.41638  -140.58226
   11    10 S   HC   HB11    11     1.09832   109.36183   -49.84973
   12    10 S   HC   HB12    12     1.09814   110.44557    66.75525
   13    10 S   CT   _CG1    13     1.52984   112.61107  -170.84650
   14    13 S   HC   HG11    14     1.09586   110.59524   -65.48854
   15    13 S   HC   HG12    15     1.09670   109.81576    53.73939
   16    13 S   C    _CD1    16     1.51802   112.27084   174.16827
   17    16 S   O    _OE1    17     1.22727   123.30522     5.40160
   18    16 S   N    _N2_    18     1.38656   111.63691  -174.62305
   19    18 S   H    _HN2    19     1.01578   118.92726     1.79537
   20    18 S   CT1  _CA2    20     1.46202   123.41184   177.83463
   21    20 S   HC   _HA2    21     1.09736   109.37182     2.16627
   22    20 S   C    _C2_    22     1.53543   108.60418  -113.33742
   23    22 S   O    _O2_    23     1.23059   122.28686  -147.83423
   24    20 S   CT   _CB2    32     1.53367   111.55380   124.18385
   25    24 S   HC   HB21    33     1.09578   110.00040    56.21945
   26    24 S   HC   HB22    34     1.09428   109.98449   175.31007
   27    22 S   N    _N3_    24     1.38331   113.70224    39.60924
   28    27 S   H    _HN3    25     1.01588   119.58142    -3.33519
   29    24 S   S    _SG2    35     1.82773   111.43569   -64.78509
   30    27 S   CT   _CA3    26     1.45288   123.19692   177.10457
   31    30 S   HC   HA31    27     1.09550   107.50743   -64.54848
   32    30 S   HC   HA32    28     1.09557   107.98385    51.88400
   33    29 S   CT   _C23    36     1.84049   100.03763   169.72155
   34    33 S   HC   _H3_    37     1.09694   106.97050   -45.22891
   35    30 S   CO3  _C3_    29     1.52957   114.09443   173.88333
   36    35 S   O2Z  _O31    30     1.26374   116.06916    -0.71573
   37    35 S   O2Z  _O32    31     1.26430   114.40998   179.34538
   38    33 S   CT   _C21    38     1.52993   109.96036    71.58478
   39    38 S   HC   _H49    39     1.09484   112.30511    55.42361
   40    38 S   HC   _H50    40     1.09476   111.46227   -65.71506
   41    38 S   HC   _H51    41     1.09570   110.50893   175.86426
   42    33 S   CT   _C22    42     1.54836   112.67022  -162.58913
   43    42 S   HC   _H52    43     1.09957   108.16457  -178.47466
   44    42 S   CO4  _C9_    44     1.52370   113.50505   -60.09212
   45    44 S   O    _O22    45     1.22384   124.79415    93.88107
   46    42 S   CT   _C20    84     1.53313   112.78075    65.34127
   47    46 S   HC   _H46    85     1.09472   112.39803   -65.90453
   48    46 S   HC   _H47    86     1.09600   110.37354   174.72868
   49    46 S   HC   _H48    87     1.09494   110.82413    55.36156
   50    44 S   OS   _O23    46     1.36503   109.60339   -86.27481
   51    50 S   CT   _C15    47     1.44609   117.43950   179.65282
   52    51 S   HC   _H36    48     1.09708   109.38878    36.13366
   53    51 S   CT   _C11    49     1.52899   108.28070   -84.32477
   54    53 S   HC   _H30    50     1.09652   110.08150    62.05932
   55    53 S   HC   _H31    51     1.09825   109.74175   -53.62077
   56    51 S   CT   _C14    66     1.54839   108.36316   155.43431
   57    56 S   HC   _H35    67     1.10100   106.45246    54.70160
   58    53 S   CT   _C10    52     1.51909   111.48701  -176.04908
   59    58 S   HC   _H28    53     1.09682   109.71130   -65.55864
   60    58 S   HC   _H29    54     1.09688   108.74735   178.59277
   61    56 S   CT   _C18    68     1.53951   109.67767   -59.07786
   62    61 S   HC   _H40    69     1.09454   111.56984   -59.86062
   63    61 S   HC   _H41    70     1.09316   111.83425   178.54950
   64    61 S   HC   _H42    71     1.09547   110.88271    59.76138
   65    58 S   CM   _C5_    55     1.51059   111.51023    55.42625
   66    65 S   CM   _C4_    56     1.34367   119.33511   128.86378
   67    66 S   HC   _H25    57     1.08513   121.88608    -1.97823
   68    66 S   CO4  _C6_    58     1.48362   121.91932   174.58456
   69    68 S   O    _O21    59     1.22977   118.80964   177.30928
   70    68 S   CT   _C13    60     1.52352   117.46278    -7.10346
   71    70 S   HC   _H34    61     1.09808   105.76603   -80.75074
   72    70 S   CT   _C12    62     1.53310   109.62853    36.48831
   73    72 S   HC   _H32    63     1.09893   109.02440    64.69511
   74    72 S   HC   _H33    64     1.09720   108.86578  -179.56210
   75    70 S   CM   _C8_    76     1.51996   110.85157   161.68759
   76    65 S   CT   _C16    65     1.53321   116.51570   -52.03731
   77    75 S   CM   _C7_    77     1.34375   120.87781   109.57624
   78    77 S   HC   _H26    78     1.08519   121.45884  -179.82868
   79    77 S   HC   _H27    79     1.08508   121.54983     0.04423
   80    75 S   CT   _C17    80     1.50486   118.65807   -70.06485
   81    80 S   HC   _H37    81     1.09429   110.65466   -68.30469
   82    80 S   HC   _H38    82     1.09430   110.88342    52.33297
   83    80 S   HC   _H39    83     1.09555   111.92420   172.00832
   84    76 S   CT   _C19    72     1.54598   108.29266   -74.46420
   85    84 S   HC   _H43    73     1.09537   111.49474  -170.60234
   86    84 S   HC   _H44    74     1.09474   112.12259    68.91850
   87    84 S   HC   _H45    75     1.09599   111.73712   -50.87312
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  11   6   5  17   8   9   4   3   7   3   2   1
  13   9   4  10   4  14   7  10   4   3   8   4   6   2   1   3
   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    76    56    57    61  
   52    53    54    55    58    59    60    65    72    76    56    57    61    62    63    64    84  
   53    54    55    58    76    56    57    61  
   54    55    58    59    60    65    66    76    56    57    61  
   55    58    59    60    65    56  
   58    59    60    65    56  
   57    61    62    63    64    84    85    86    87    58    65    66    70    72    73    74    76  
   61    62    63    64    84    65    72    76  
   59    60    65    66    67    68    72    76    84  
   60    65    66    76  
   65    66    76  
   62    63    64    84    65    72    76  
   63    64    76  
   64    76  
   76  
   66    67    68    69    70    72    73    74    76    84    85    86    87  
   67    68    69    70    71    72    76    84    75  
   68    69    70    76  
   69    70    71    72    73    74    76    75    77    80  
   70    71    72    75  
   71    72    73    74    76    84    75    77    78    79    80    81    82    83  
   72    73    74    76    75    77    80  
   73    74    76    84    85    86    87    75    77    80  
   74    76    84    75  
   76    84    75  
   77    78    79    80    81    82    83    76  
   84    85    86    87  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    65   317.000  1.510
   65    66   549.000  1.340
   65    76   317.000  1.510
   66    67   340.000  1.080
   66    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   268.000  1.529
   76    56   268.000  1.529
   76    84   268.000  1.529
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   75    77   549.000  1.340
   75    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    76    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    65    70.00000  112.02700
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    65    66    70.00000  124.00000
   58    65    76    65.00000  117.92700
   60    58    59    33.00000  107.80000
   65    58    59    35.00000  109.50000
   65    58    60    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    68    65.00000  118.96000
   65    76    72    70.00000  112.02700
   65    76    56    70.00000  112.02700
   65    76    84    70.00000  112.02700
   66    68    69    80.00000  123.72100
   66    68    70    65.00000  118.62400
   68    66    67    40.00000  117.72500
   68    70    71    35.00000  109.50000
   68    70    72    63.00000  111.10000
   68    70    75    70.00000  109.06800
   70    68    69    80.00000  120.40000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    76    58.35000  112.70000
   70    75    77    70.00000  124.00000
   70    75    80    65.00000  117.92700
   72    70    71    37.50000  110.70000
   72    76    56    58.35000  112.70000
   72    76    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   76    65    66    70.00000  124.00000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    56    57    37.50000  110.70000
   76    56    61    58.35000  112.70000
   76    84    85    37.50000  110.70000
   76    84    86    37.50000  110.70000
   76    84    87    37.50000  110.70000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   61    56    57    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   84    76    56    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    70.00000  112.02700
   75    77    78    35.00000  120.00000
   75    77    79    35.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   79    77    78    35.00000  117.00000
   80    75    77    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.62750  1.0 1.0
   50    51    53    58  -0.30950 -1.0 2.0
   50    51    53    58   0.27300  1.0 3.0
   50    51    56    76   0.62750  1.0 1.0
   50    51    56    76  -0.30950 -1.0 2.0
   50    51    56    76   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    61   0.62750  1.0 1.0
   50    51    56    61  -0.30950 -1.0 2.0
   50    51    56    61   0.27300  1.0 3.0
   51    53    58    59   0.15000  1.0 3.0
   51    53    58    60   0.15000  1.0 3.0
   51    53    58    65   0.34400  1.0 1.0
   51    53    58    65   0.09450 -1.0 2.0
   51    53    58    65   0.11100  1.0 3.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    64   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    76   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    76   0.56750  1.0 1.0
   53    51    56    76  -0.07550 -1.0 2.0
   53    51    56    76   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    61   0.56750  1.0 1.0
   53    51    56    61  -0.07550 -1.0 2.0
   53    51    56    61   0.20000  1.0 3.0
   53    58    65    66   0.09850  1.0 1.0
   53    58    65    66   0.15250 -1.0 2.0
   53    58    65    66  -0.50650  1.0 3.0
   53    58   -65    76   0.46850  1.0 1.0
   53    58   -65    76   0.08550 -1.0 2.0
   53    58   -65    76   0.09800  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    65   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    65   0.15000  1.0 3.0
   58    65    66    67   7.00000 -1.0 2.0
   58    65    66    68   7.00000 -1.0 2.0
   58    65    76    72   0.46850  1.0 1.0
   58    65    76    72   0.08550 -1.0 2.0
   58    65    76    72   0.09800  1.0 3.0
   58    65    76    56   0.46850  1.0 1.0
   58    65    76    56   0.08550 -1.0 2.0
   58    65    76    56   0.09800  1.0 3.0
   58    65    76    84   0.46850  1.0 1.0
   58    65    76    84   0.08550 -1.0 2.0
   58    65    76    84   0.09800  1.0 3.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    76   0.34800  1.0 3.0
   60    58    65    66   0.00000  1.0 1.0
   60    58    65    76   0.34800  1.0 3.0
   65    66    68    69   1.00000 -1.0 2.0
   65    66    68    70  -0.33500  1.0 1.0
   65    66    68    70   1.06600 -1.0 2.0
   65    66    68    70  -0.14000  1.0 3.0
   65    76   -56    51   0.34400  1.0 1.0
   65    76   -56    51   0.09450 -1.0 2.0
   65    76   -56    51   0.11100  1.0 3.0
   65    76    56    57   0.15000  1.0 3.0
   65    76    56    61   0.34400  1.0 1.0
   65    76    56    61   0.09450 -1.0 2.0
   65    76    56    61   0.11100  1.0 3.0
   65    76    84    85   0.15000  1.0 3.0
   65    76    84    86   0.15000  1.0 3.0
   65    76    84    87   0.15000  1.0 3.0
   66    65    76    72   0.09850  1.0 1.0
   66    65    76    72   0.15250 -1.0 2.0
   66    65    76    72  -0.50650  1.0 3.0
   66    65    76    56   0.09850  1.0 1.0
   66    65    76    56   0.15250 -1.0 2.0
   66    65    76    56  -0.50650  1.0 3.0
   66    65    76    84   0.09850  1.0 1.0
   66    65    76    84   0.15250 -1.0 2.0
   66    65    76    84  -0.50650  1.0 3.0
   66    68    70    71   0.00000  1.0 1.0
   66    68   -70    72   0.65300  1.0 1.0
   66    68   -70    72  -0.03850 -1.0 2.0
   66    68   -70    72   0.33900  1.0 3.0
   66    68    70    75   0.65300  1.0 1.0
   66    68    70    75  -0.03850 -1.0 2.0
   66    68    70    75   0.33900  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.04550  1.0 1.0
   67    66    68    70   0.83000 -1.0 2.0
   67    66    68    70  -0.04000  1.0 3.0
   68    70    72    73  -0.11250  1.0 3.0
   68    70    72    74  -0.11250  1.0 3.0
   68    70    72    76  -0.95700  1.0 1.0
   68    70    72    76  -0.18200 -1.0 2.0
   68    70    72    76   0.29450  1.0 3.0
   68    70    75    77  -0.51250  1.0 1.0
   68    70    75    77  -0.88800 -1.0 2.0
   68    70    75    77   0.08850  1.0 3.0
   68    70    75    80   0.17250  1.0 1.0
   68    70    75    80  -0.04100 -1.0 2.0
   68    70    75    80  -0.33850  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.30150 -1.0 2.0
   69    68    70    75   0.30150 -1.0 2.0
   70    72   -76    65   0.34400  1.0 1.0
   70    72   -76    65   0.09450 -1.0 2.0
   70    72   -76    65   0.11100  1.0 3.0
   70    72    76    56   0.56750  1.0 1.0
   70    72    76    56  -0.07550 -1.0 2.0
   70    72    76    56   0.20000  1.0 3.0
   70    72    76    84   0.56750  1.0 1.0
   70    72    76    84  -0.07550 -1.0 2.0
   70    72    76    84   0.20000  1.0 3.0
   70    75    77    78   7.00000 -1.0 2.0
   70    75    77    79   7.00000 -1.0 2.0
   70    75    80    81   0.34800  1.0 3.0
   70    75    80    82   0.34800  1.0 3.0
   70    75    80    83   0.34800  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    75    77   0.00000  1.0 1.0
   71    70    75    80   0.34800  1.0 3.0
   72    70    75    77   0.09850  1.0 1.0
   72    70    75    77   0.15250 -1.0 2.0
   72    70    75    77  -0.50650  1.0 3.0
   72    70    75    80   0.46850  1.0 1.0
   72    70    75    80   0.08550 -1.0 2.0
   72    70    75    80   0.09800  1.0 3.0
   72    76    56    51   0.56750  1.0 1.0
   72    76    56    51  -0.07550 -1.0 2.0
   72    76    56    51   0.20000  1.0 3.0
   72    76    56    57   0.15000  1.0 3.0
   72    76    56    61   0.56750  1.0 1.0
   72    76    56    61  -0.07550 -1.0 2.0
   72    76    56    61   0.20000  1.0 3.0
   72    76    84    85   0.15000  1.0 3.0
   72    76    84    86   0.15000  1.0 3.0
   72    76    84    87   0.15000  1.0 3.0
   73    72    76    65   0.15000  1.0 3.0
   73    72    76    56   0.15000  1.0 3.0
   73    72    76    84   0.15000  1.0 3.0
   74    72    76    65   0.15000  1.0 3.0
   74    72    76    56   0.15000  1.0 3.0
   74    72    76    84   0.15000  1.0 3.0
   76    65    66    67   7.00000 -1.0 2.0
   76    65   -66    68   7.00000 -1.0 2.0
   76    56    61    62   0.15000  1.0 3.0
   76    56    61    63   0.15000  1.0 3.0
   76    56    61    64   0.15000  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51   -53    58   0.56750  1.0 1.0
   56    51   -53    58  -0.07550 -1.0 2.0
   56    51   -53    58   0.20000  1.0 3.0
   56    76    84    85   0.15000  1.0 3.0
   56    76    84    86   0.15000  1.0 3.0
   56    76    84    87   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   84    76    56    51   0.56750  1.0 1.0
   84    76    56    51  -0.07550 -1.0 2.0
   84    76    56    51   0.20000  1.0 3.0
   84    76    56    57   0.15000  1.0 3.0
   84    76    56    61   0.56750  1.0 1.0
   84    76    56    61  -0.07550 -1.0 2.0
   84    76    56    61   0.20000  1.0 3.0
   75    70    72    73   0.15000  1.0 3.0
   75    70    72    74   0.15000  1.0 3.0
   75    70    72    76   0.34400  1.0 1.0
   75    70    72    76   0.09450 -1.0 2.0
   75    70    72    76   0.11100  1.0 3.0
   77    75    80    81   0.00000  1.0 1.0
   77    75    80    82   0.00000  1.0 1.0
   77    75    80    83   0.00000  1.0 1.0
   80    75    77    78   7.00000 -1.0 2.0
   80    75    77    79   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   58    76    65    66   1.10000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   70    80    75    77  15.00000 -1.0 2.0
   78    79    77    75  15.00000 -1.0 2.0
END
