* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    252     496
    1     0 S   NP   _N1_     1    29.90180    91.64268   -18.22760
    2     1 S   H    _HN1     2     1.02795    17.61035    65.84006
    3     1 S   H    _H1_     3     1.03074   107.21837   -29.54533
    4     1 S   H    _H2_     4     1.02940   122.78437    96.03185
    5     1 S   CT   _CA1     5     1.50096    96.04793  -144.99432
    6     5 S   HC   _HA1     6     1.09562   105.29672    46.21953
    7     5 S   CO3  _C1_     7     1.53695   112.56473   -74.38338
    8     7 S   O2Z  _O11     8     1.26379   114.97982   -43.77439
    9     7 S   O2Z  _O12     9     1.26223   114.96523   135.53673
   10     5 S   CT   _CB1    10     1.52895   107.27915   164.12780
   11    10 S   HC   HB11    11     1.09740   109.31695   -51.24575
   12    10 S   HC   HB12    12     1.09819   110.45985    65.02747
   13    10 S   CT   _CG1    13     1.52911   113.06244  -172.01557
   14    13 S   HC   HG11    14     1.09545   111.29033   -70.18855
   15    13 S   HC   HG12    15     1.09591   110.94234    49.53387
   16    13 S   C    _CD1    16     1.51228   109.31752   168.60483
   17    16 S   O    _OE1    17     1.22847   121.71470   -97.03465
   18    16 S   N    _N2_    18     1.38328   113.03585    80.45594
   19    18 S   H    _HN2    19     1.01589   119.31999     7.45488
   20    18 S   CT1  _CA2    20     1.45714   122.51134  -175.58146
   21    20 S   HC   _HA2    21     1.09479   109.32374    23.05543
   22    20 S   C    _C2_    22     1.52819   105.65776   -93.82021
   23    22 S   O    _O2_    23     1.22931   122.75280   -89.86015
   24    20 S   CT   _CB2    32     1.53286   111.74823   145.62527
   25    24 S   HC   HB21    33     1.09642   110.05639    58.69917
   26    24 S   HC   HB22    34     1.09472   110.75813   176.16483
   27    22 S   N    _N3_    24     1.38442   112.71855    86.87641
   28    27 S   H    _HN3    25     1.01704   119.86957    -3.38767
   29    24 S   S    _SG2    35     1.83163   113.50055   -59.95638
   30    27 S   CT   _CA3    26     1.45296   122.96090   179.98022
   31    30 S   HC   HA31    27     1.09562   108.16593   -46.50035
   32    30 S   HC   HA32    28     1.09544   107.31688    69.92276
   33    29 S   CT   _C25    36     1.84172   100.95307   -74.00626
   34    33 S   HC   _H3_    37     1.09310   108.36440    35.15477
   35    30 S   CO3  _C3_    29     1.52984   114.26982  -168.77917
   36    35 S   O2Z  _O31    30     1.26343   116.17981    -2.56903
   37    35 S   O2Z  _O32    31     1.26444   114.36706   177.39631
   38    33 S   CT   _C22    38     1.53311   107.58260   -82.50460
   39    38 S   HC   _H52    39     1.09613   111.63831   -61.14648
   40    38 S   HC   _H53    40     1.09403   111.25531   179.21590
   41    38 S   HC   _H54    41     1.09493   111.76242    60.21963
   42    33 S   CT   _C24    42     1.55148   111.37931   155.35176
   43    42 S   HC   _H57    43     1.09979   108.63806    65.71251
   44    42 S   CO4  _C12    44     1.52720   111.44700  -178.44003
   45    44 S   O    _O25    45     1.22472   122.80197  -133.42892
   46    42 S   CT   _C23    84     1.53910   114.96633   -55.82834
   47    46 S   HC   _H55    85     1.09390   111.35653    57.37022
   48    46 S   HC   _H56    86     1.09516   111.23298   -64.70402
   49    44 S   OS   _O28    46     1.36167   111.21341    48.92191
   50    46 S   OS   _O29    87     1.44330   108.28044   175.92403
   51    49 S   CT   _C18    47     1.44576   119.29750   176.77463
   52    51 S   HC   _H42    48     1.09701   108.94670   -16.93369
   53    50 S   CO4  _C11    88     1.36128   116.59045  -173.18042
   54    53 S   O    _O24    89     1.22344   126.44134     0.89918
   55    51 S   CT   _C14    49     1.55925   108.92053  -128.98899
   56    55 S   HC   _H37    50     1.09802   107.97506   178.44896
   57    55 S   HC   _H38    51     1.09894   107.85058    65.05181
   58    51 S   CT   _C17    65     1.55816   111.24261   101.89122
   59    58 S   HC   _H41    66     1.09982   107.74847   164.12436
   60    53 S   CT   _C21    90     1.49839   109.52395  -179.25822
   61    60 S   HC   _H49    91     1.09287   109.83127   -61.41190
   62    60 S   HC   _H50    92     1.09381   109.35390   179.51584
   63    60 S   HC   _H51    93     1.09294   109.83087    60.50459
   64    55 S   CM   _C7_    52     1.51806   117.93667   -56.06623
   65    58 S   CM   _C8_    67     1.50235   116.06828   -78.28806
   66    64 S   CM   _C5_    53     1.35077   120.42972  -107.14028
   67    66 S   HC   _H32    54     1.08967   118.28984    -3.45292
   68    65 S   CO4  _C9_    68     1.47767   109.46708   146.83224
   69    68 S   O    _O23    69     1.21768   127.09225   171.58532
   70    65 S   CM   _C10    71     1.33675   130.49280   -34.96671
   71    70 S   HC   _H33    72     1.08398   121.69358     0.09279
   72    70 S   HC   _H34    73     1.08564   121.70785  -179.27207
   73    64 S   CT   _C20    80     1.50478   115.76785    72.26664
   74    73 S   HC   _H46    81     1.09191   111.13745   -77.72300
   75    73 S   HC   _H47    82     1.09253   112.86971   160.58354
   76    73 S   HC   _H48    83     1.09530   110.16762    42.44948
   77    66 S   CT   _C16    55     1.51494   126.24303   163.98275
   78    77 S   HC   _H40    56     1.09293   111.94808    23.50002
   79    92 S   OS   _O26    70     1.43626   107.51327   114.92484
   80    77 S   CT   _C13    57     1.55378   110.82384   -99.01715
   81    80 S   HC   _H35    58     1.09901   109.56363   -74.88313
   82    80 S   HC   _H36    59     1.09713   109.92423   170.62820
   83    77 S   OH   _O27    78     1.42518   108.11213   141.21665
   84    83 S   HO   _H59    79     0.97286   107.08084  -177.73895
   85    80 S   CM   _C6_    60     1.51951   111.16979    47.68159
   86    85 S   CM   _C4_    61     1.34781   117.92187   -86.32825
   87    86 S   HC   _H31    62     1.09040   117.51483   -11.69930
   88    85 S   CT   _C19    74     1.49855   115.92368    85.57889
   89    88 S   HC   _H43    75     1.09187   110.39728   -59.44854
   90    88 S   HC   _H44    76     1.09284   113.18829   179.12531
   91    88 S   HC   _H45    77     1.09514   109.81817    59.88579
   92    86 S   CT   _C15    63     1.49862   127.33864   156.62910
   93    92 S   HC   _H39    64     1.09298   111.80903    -2.54207
  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  10   7  10   3   7   3   2
  10   6  16   8   5   4  14   5   4  14   7   3   2   1   1  10
   9  13   5   8   3   4   1   1   4   2   1   1   9   6   5  12
   5   4   2   1   8   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    49    46    47    48    50  
   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    49    51    46    47    48    50    53  
   44    45    49    46    47    48    50  
   45    49    51    52    55    58    46    47    48    50  
   49    51    46  
   47    48    50    53    54    60    49  
   48    50    53  
   50    53  
   51    52    55    56    57    64    92    58    59    65  
   53    54    60    61    62    63  
   52    55    56    57    64    66    86    92    93    58    59    65    68    79    70    73  
   55    56    57    64    92    58    59    65  
   54    60    61    62    63  
   60    61    62    63  
   56    57    64    66    67    77    92    58    59    65    73    74    75    76  
   57    64    66    58    73  
   64    66    58    73  
   59    65    68    69    79    70    71    72    64    85    86    87    92    93  
   65    68    79    70    86    92    93  
   61    62    63  
   62    63  
   63  
    0  
   66    67    77    78    80    83    73    74    75    76  
   68    69    79    70    71    72    86    92    93  
   67    77    78    80    81    82    85    83    84    73    74    75    76  
   77    78    80    83    73  
   69    79    70    71    72    86    92    93  
   79    70    92  
   71    72    79    92  
   72  
    0  
   74    75    76    77  
   75    76  
   76  
    0  
   78    80    81    82    85    86    88    83    84  
   80    81    82    85    83    84  
   85    86    87    92    93  
   81    82    85    86    87    92    88    89    90    91    83    84  
   82    85    86    88    83  
   85    86    88    83  
   84    85  
    0  
   86    87    92    93    88    89    90    91  
   87    92    93    88    89    90    91  
   92    93    88  
   89    90    91    92  
   90    91  
   91  
    0  
   93  
    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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   86   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   93   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    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    49   214.000  1.327
   49    51   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   317.000  1.510
   64    66   549.000  1.340
   64    73   317.000  1.510
   66    67   340.000  1.080
   66    77   317.000  1.510
   77    78   340.000  1.090
   77    80   268.000  1.529
   77    83   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   317.000  1.510
   85    86   549.000  1.340
   85    88   317.000  1.510
   86    87   340.000  1.080
   86    92   317.000  1.510
   92    93   340.000  1.090
   92    58   268.000  1.529
   92    79   320.000  1.410
   58    59   340.000  1.090
   58    65   317.000  1.510
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    79   214.000  1.327
   70    71   340.000  1.080
   70    72   340.000  1.080
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    51    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    51    52    35.00000  109.50000
   49    51    55    50.00000  109.50000
   49    51    58    50.00000  109.50000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    64    70.00000  112.02700
   51    58    92    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    65    70.00000  112.02700
   55    51    52    37.50000  110.70000
   55    64    66    70.00000  124.00000
   55    64    73    65.00000  117.92700
   57    55    56    33.00000  107.80000
   64    55    56    35.00000  109.50000
   64    55    57    35.00000  109.50000
   64    66    67    35.00000  120.00000
   64    66    77    70.00000  124.00000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   66    77    78    35.00000  109.50000
   66    77    80    70.00000  112.02700
   66    77    83    90.00000  110.39200
   77    66    67    35.00000  117.00000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    85    70.00000  112.02700
   77    83    84    55.00000  108.50000
   80    77    78    37.50000  110.70000
   80    85    86    70.00000  124.00000
   80    85    88    65.00000  117.92700
   82    80    81    33.00000  107.80000
   85    80    81    35.00000  109.50000
   85    80    82    35.00000  109.50000
   85    86    87    35.00000  120.00000
   85    86    92    70.00000  124.00000
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   86    92    93    35.00000  109.50000
   86    92    58    70.00000  112.02700
   86    92    79    85.00000  110.90400
   92    86    87    35.00000  117.00000
   92    58    59    37.50000  110.70000
   92    58    65    70.00000  112.02700
   92    79    68    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    92    93    37.50000  110.70000
   58    65    68    65.00000  116.34900
   58    65    70    70.00000  124.00000
   65    58    59    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    79    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   79    92    93    35.00000  109.50000
   79    92    58    50.00000  109.50000
   79    68    69    83.00000  123.40000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   88    85    86    70.00000  124.00000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    80    50.00000  109.50000
   73    64    66    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    53    83.00000  116.90000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
   50    53    54    83.00000  123.40000
   50    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   60    53    54    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    49   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    50   0.62750  1.0 1.0
   33    42    46    50  -0.30950 -1.0 2.0
   33    42    46    50   0.27300  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    49    51   1.63150  1.0 1.0
   42    44    49    51   2.92000 -1.0 2.0
   42    46    50    53  -0.25900  1.0 1.0
   42    46    50    53  -0.47000 -1.0 2.0
   42    46    50    53   0.11750  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   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    50   0.23400  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    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    51    52   0.08050  1.0 3.0
   44    49    51    55  -0.25900  1.0 1.0
   44    49    51    55  -0.47000 -1.0 2.0
   44    49    51    55   0.11750  1.0 3.0
   44    49    51    58  -0.25900  1.0 1.0
   44    49    51    58  -0.47000 -1.0 2.0
   44    49    51    58   0.11750  1.0 3.0
   45    44    49    51   3.00000 -1.0 2.0
   49    51    55    56   0.23400  1.0 3.0
   49    51    55    57   0.23400  1.0 3.0
   49    51    55    64   0.61850  1.0 1.0
   49    51    55    64  -0.22750 -1.0 2.0
   49    51    55    64   0.15300  1.0 3.0
   49    51    58    92   0.62750  1.0 1.0
   49    51    58    92  -0.30950 -1.0 2.0
   49    51    58    92   0.27300  1.0 3.0
   49    51    58    59   0.23400  1.0 3.0
   49    51    58    65   0.61850  1.0 1.0
   49    51    58    65  -0.22750 -1.0 2.0
   49    51    58    65   0.15300  1.0 3.0
   51    55    64    66   0.09850  1.0 1.0
   51    55    64    66   0.15250 -1.0 2.0
   51    55    64    66  -0.50650  1.0 3.0
   51    55    64    73   0.46850  1.0 1.0
   51    55    64    73   0.08550 -1.0 2.0
   51    55    64    73   0.09800  1.0 3.0
   51    58    65    68   0.09700  1.0 1.0
   51    58    65    68   0.15600 -1.0 2.0
   51    58    65    68  -0.50800  1.0 3.0
   51    58    65    70   0.09850  1.0 1.0
   51    58    65    70   0.15250 -1.0 2.0
   51    58    65    70  -0.50650  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    64   0.15000  1.0 3.0
   52    51    58    92   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    65   0.15000  1.0 3.0
   55    51    58    92   0.56750  1.0 1.0
   55    51    58    92  -0.07550 -1.0 2.0
   55    51    58    92   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    65   0.34400  1.0 1.0
   55    51    58    65   0.09450 -1.0 2.0
   55    51    58    65   0.11100  1.0 3.0
   55    64    66    67   7.00000 -1.0 2.0
   55    64    66    77   7.00000 -1.0 2.0
   55    64    73    74   0.34800  1.0 3.0
   55    64    73    75   0.34800  1.0 3.0
   55    64    73    76   0.34800  1.0 3.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    73   0.34800  1.0 3.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    73   0.34800  1.0 3.0
   64    66    77    78   0.00000  1.0 1.0
   64    66    77    80   0.09850  1.0 1.0
   64    66    77    80   0.15250 -1.0 2.0
   64    66    77    80  -0.50650  1.0 3.0
   64    66    77    83   0.67800  1.0 1.0
   64    66    77    83   0.47050 -1.0 2.0
   64    66    77    83  -0.62500  1.0 3.0
   66    64    73    74   0.00000  1.0 1.0
   66    64    73    75   0.00000  1.0 1.0
   66    64    73    76   0.00000  1.0 1.0
   66    77    80    81   0.15000  1.0 3.0
   66    77    80    82   0.15000  1.0 3.0
   66    77    80    85   0.31000  1.0 1.0
   66    77    80    85   0.14700 -1.0 2.0
   66    77    80    85   0.07550  1.0 3.0
   66    77    83    84  -0.07800  1.0 1.0
   66    77    83    84  -0.21500 -1.0 2.0
   66    77    83    84  -0.03150  1.0 3.0
   67    66    77    78   0.33100  1.0 3.0
   67    66    77    80   0.00000  1.0 1.0
   67    66    77    83   0.00000  1.0 1.0
   77    80    85    86   0.09850  1.0 1.0
   77    80    85    86   0.15250 -1.0 2.0
   77    80    85    86  -0.50650  1.0 3.0
   77    80    85    88   0.46850  1.0 1.0
   77    80    85    88   0.08550 -1.0 2.0
   77    80    85    88   0.09800  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    85   0.15000  1.0 3.0
   78    77    83    84   0.19450  1.0 3.0
   80    77    83    84  -0.11600  1.0 1.0
   80    77    83    84  -0.09450 -1.0 2.0
   80    77    83    84   0.21250  1.0 3.0
   80    85    86    87   7.00000 -1.0 2.0
   80    85    86    92   7.00000 -1.0 2.0
   80    85    88    89   0.34800  1.0 3.0
   80    85    88    90   0.34800  1.0 3.0
   80    85    88    91   0.34800  1.0 3.0
   81    80    85    86   0.00000  1.0 1.0
   81    80    85    88   0.34800  1.0 3.0
   82    80    85    86   0.00000  1.0 1.0
   82    80    85    88   0.34800  1.0 3.0
   85    86    92    93   0.00000  1.0 1.0
   85    86    92    58   0.09850  1.0 1.0
   85    86    92    58   0.15250 -1.0 2.0
   85    86    92    58  -0.50650  1.0 3.0
   85    86    92    79   0.39000  1.0 1.0
   85    86    92    79  -0.05800 -1.0 2.0
   85    86    92    79  -0.55150  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   86    85    88    91   0.00000  1.0 1.0
   86    92    58    51   0.34400  1.0 1.0
   86    92    58    51   0.09450 -1.0 2.0
   86    92    58    51   0.11100  1.0 3.0
   86    92    58    59   0.15000  1.0 3.0
   86    92    58    65   0.31000  1.0 1.0
   86    92    58    65   0.14700 -1.0 2.0
   86    92    58    65   0.07550  1.0 3.0
   86    92    79    68  -0.82050  1.0 1.0
   86    92    79    68   0.00600 -1.0 2.0
   86    92    79    68   0.04400  1.0 3.0
   87    86    92    93   0.33100  1.0 3.0
   87    86    92    58   0.00000  1.0 1.0
   87    86    92    79   0.00000  1.0 1.0
   92    58   -65    68   0.09700  1.0 1.0
   92    58   -65    68   0.15600 -1.0 2.0
   92    58   -65    68  -0.50800  1.0 3.0
   92    58    65    70   0.09850  1.0 1.0
   92    58    65    70   0.15250 -1.0 2.0
   92    58    65    70  -0.50650  1.0 3.0
   93    92    58    51   0.15000  1.0 3.0
   93    92    58    59   0.15000  1.0 3.0
   93    92    58    65   0.15000  1.0 3.0
   93    92    79    68   0.08050  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    64   0.34400  1.0 1.0
   58    51    55    64   0.09450 -1.0 2.0
   58    51    55    64   0.11100  1.0 3.0
   58    92   -79    68  -0.25900  1.0 1.0
   58    92   -79    68  -0.47000 -1.0 2.0
   58    92   -79    68   0.11750  1.0 3.0
   58    65    68    69  -0.64400  1.0 1.0
   58    65    68    69   0.26850 -1.0 2.0
   58    65   -68    79  -0.15000  1.0 1.0
   58    65   -68    79   0.89550 -1.0 2.0
   58    65   -68    79  -0.06900  1.0 3.0
   58    65    70    71   7.00000 -1.0 2.0
   58    65    70    72   7.00000 -1.0 2.0
   59    58    65    68   0.15000  1.0 3.0
   59    58    65    70   0.00000  1.0 1.0
   65    68   -79    92   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   69    68    79    92   3.00000 -1.0 2.0
   79    92    58    51   0.62750  1.0 1.0
   79    92    58    51  -0.30950 -1.0 2.0
   79    92    58    51   0.27300  1.0 3.0
   79    92    58    59   0.23400  1.0 3.0
   79    92   -58    65   0.61850  1.0 1.0
   79    92   -58    65  -0.22750 -1.0 2.0
   79    92   -58    65   0.15300  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    79  -0.56150  1.0 1.0
   70    65    68    79   2.19150 -1.0 2.0
   88    85    86    87   7.00000 -1.0 2.0
   88    85    86    92   7.00000 -1.0 2.0
   83    77    80    81   0.23400  1.0 3.0
   83    77    80    82   0.23400  1.0 3.0
   83    77    80    85   1.05650  1.0 1.0
   83    77    80    85   0.15600 -1.0 2.0
   83    77    80    85   0.53150  1.0 3.0
   73    64    66    67   7.00000 -1.0 2.0
   73    64    66    77   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   46    50    53    54   3.00000 -1.0 2.0
   46    50    53    60   1.63150  1.0 1.0
   46    50    53    60   2.92000 -1.0 2.0
   47    46    50    53   0.08050  1.0 3.0
   48    46    50    53   0.08050  1.0 3.0
   50    53    60    61   0.00000  1.0 1.0
   50    53    60    62   0.00000  1.0 1.0
   50    53    60    63   0.00000  1.0 1.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   54    53    60    63   0.00000  1.0 1.0
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    49    44    45  10.50000 -1.0 2.0
   55    73    64    66   1.10000 -1.0 2.0
   77    67    66    64   1.10000 -1.0 2.0
   80    88    85    86   1.10000 -1.0 2.0
   92    87    86    85   1.10000 -1.0 2.0
   58    68    65    70   1.10000 -1.0 2.0
   65    79    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   50    60    53    54  10.50000 -1.0 2.0
END
