* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    157    235     451
    1     0 S   NP   _N1_     1    32.91947    88.24880   -25.76000
    2     1 S   H    _HN1     2     1.02953    63.92787    51.19068
    3     1 S   H    _H1_     3     1.02832    55.47344   -85.93707
    4     1 S   H    _H2_     4     1.02782   153.04892   -27.96579
    5     1 S   CT   _CA1     5     1.50118    94.32976   161.80864
    6     5 S   HC   _HA1     6     1.09573   105.19482   113.79925
    7     5 S   CO3  _C1_     7     1.53790   112.45646    -6.41897
    8     7 S   O2Z  _O11     8     1.26371   115.00293   -42.21860
    9     7 S   O2Z  _O12     9     1.26239   114.94569   136.90652
   10     5 S   CT   _CB1    10     1.53079   107.42555  -128.22332
   11    10 S   HC   HB11    11     1.09839   109.38072   -49.79628
   12    10 S   HC   HB12    12     1.09814   110.43067    66.80627
   13    10 S   CT   _CG1    13     1.53003   112.62156  -170.78795
   14    13 S   HC   HG11    14     1.09579   110.62603   -65.60929
   15    13 S   HC   HG12    15     1.09669   109.79984    53.64264
   16    13 S   C    _CD1    16     1.51787   112.20010   174.09236
   17    16 S   O    _OE1    17     1.22714   123.15046     6.95770
   18    16 S   N    _N2_    18     1.38589   111.65355  -173.21774
   19    18 S   H    _HN2    19     1.01574   118.98933    -0.35936
   20    18 S   CT1  _CA2    20     1.46200   123.43795   177.70083
   21    20 S   HC   _HA2    21     1.09569   108.79355   -11.51011
   22    20 S   C    _C2_    22     1.53351   108.13605  -125.72076
   23    22 S   O    _O2_    23     1.22980   122.78790  -144.08774
   24    20 S   CT   _CB2    32     1.53350   111.64976   110.84485
   25    24 S   HC   HB21    33     1.09601   110.26458    46.85829
   26    24 S   HC   HB22    34     1.09278   110.95416   164.81824
   27    22 S   N    _N3_    24     1.38481   113.05171    43.82954
   28    27 S   H    _HN3    25     1.01627   119.41718    -5.29280
   29    24 S   S    _SG2    35     1.83247   111.11562   -72.24305
   30    27 S   CT   _CA3    26     1.45240   123.12876   175.06148
   31    30 S   HC   HA31    27     1.09567   107.68169   -57.05699
   32    30 S   HC   HA32    28     1.09543   107.74731    59.34169
   33    29 S   CT   _C25    36     1.84799   101.50657  -119.63825
   34    33 S   OM   _O37    37     1.31878   110.37927   170.48500
   35    30 S   CO3  _C3_    29     1.52913   114.15558  -178.89713
   36    35 S   O2Z  _O31    30     1.26356   116.07793    -4.78184
   37    35 S   O2Z  _O32    31     1.26418   114.42696   175.27719
   38    33 S   CT   _C26    38     1.54610   106.40408   -74.79759
   39    38 S   HC   _H24    39     1.09719   111.53825    64.36744
   40    38 S   HC   _H25    40     1.09848   113.32199   -57.90023
   41    38 S   HC   _H26    41     1.09991   111.15924  -178.90050
   42    33 S   OS   _O36    42     1.44615   115.55227    40.71386
   43    42 S   CA   _C22    43     1.36675   123.71009    54.91673
   44    43 S   CA   _C21    44     1.39910   114.22172  -160.73382
   45    44 S   HA   _H21    45     1.08753   120.01321    -0.12820
   46    44 S   CA   _C20    46     1.39521   120.77411   178.62456
   47    46 S   HA   _H20    47     1.08737   119.12566  -178.85773
   48    46 S   CA   _C19    48     1.39976   120.22831     0.87871
   49    48 S   CA   _C24    49     1.39960   118.97082    -0.17583
   50    49 S   HA   _H23    50     1.08750   120.57145  -179.35776
   51    48 S   CM   _C7_    53     1.47970   120.01719  -179.08657
   52    43 S   CA   _C23    51     1.39410   126.67714    19.29986
   53    52 S   HA   _H22    52     1.08454   121.95461     0.73940
   54    51 S   CM   _C6_    54     1.35399   120.65053    86.59881
   55    51 S   CT   _C8_    65     1.53078   117.13377   -94.83783
   56    54 S   CA   _C10    55     1.48344   116.70955  -179.44609
   57    55 S   CT   _C17    66     1.54064   113.19660    40.38886
   58    57 S   HC   _H14    67     1.09713   110.67055   174.61271
   59    57 S   HC   _H15    68     1.09650   110.89340    57.23998
   60    57 S   HC   _H16    69     1.09488   112.66305   -64.91842
   61    55 S   CT   _C18    70     1.53973   111.05258   -82.07501
   62    61 S   HC   _H17    71     1.09658   110.73376  -173.07771
   63    61 S   HC   _H18    72     1.09455   112.16385    66.15834
   64    61 S   HC   _H19    73     1.09634   111.30275   -55.12839
   65    54 S   CT   _C5_    81     1.51883   124.32601     0.32325
   66    65 S   HC   _H6_    82     1.09645   110.68955  -141.60243
   67    65 S   HC   _H7_    83     1.09522   111.11595   -26.73204
   68    56 S   CA   _C11    56     1.40772   123.15488  -171.46528
   69    68 S   HA   _H8_    57     1.08637   121.52696     1.44049
   70    65 S   CT   _C4_    84     1.52478   112.49270    94.68176
   71    70 S   HC   _H3_    85     1.09410   111.23542   -59.67862
   72    70 S   HC   _H4_    86     1.09402   110.13171  -179.19158
   73    70 S   HC   _H5_    87     1.09380   112.12198    60.96113
   74    68 S   CA   _C12    58     1.39759   121.44280  -178.20539
   75    74 S   HA   _H9_    59     1.08584   119.99966   179.71884
   76    74 S   CA   _C13    60     1.38877   119.19747    -0.03426
   77    76 S   CA   _C14    61     1.38941   120.98524     1.20171
   78    77 S   HA   _H10    62     1.08629   120.41194   178.42009
   79    76 S   OS   _O34    74     1.39502   119.43213   178.00227
   80    56 S   CA   _C9_    63     1.40163   119.19988    10.64553
   81    79 S   CO4  _C15    75     1.39021   112.72210    92.42774
   82    81 S   O    _O35    76     1.22381   127.12306    -0.15066
   83    80 S   OS   _O33    64     1.36527   123.06625     0.00000
   84    81 S   CT   _C16    77     1.49994   108.67185   179.88131
   85    84 S   HC   _H11    78     1.09286   109.82560   -60.90886
   86    84 S   HC   _H12    79     1.09378   109.32362  -179.92867
   87    84 S   HC   _H13    80     1.09285   109.82502    61.04076
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   8   3  12
   6   3  19   1   1  17  13  13   9   4   3   2   5   3   2   1
   8   5   4   8   4   3   2   1   1   7   3   8   5   3   7   1
   5   4   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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    55  
   48    49    51  
   49    50    52    53    51    54    56    83    55    57    61    65  
   50    52    53    51    54    55  
   52    53    51  
   54    56    68    80    83    55    57    58    59    60    61    62    63    64    65    66    67    70    52  
   53  
    0  
   56    68    69    74    77    80    83    55    57    61    65    66    67    70    71    72    73  
   57    58    59    60    61    62    63    64    65    56    77    80    83  
   68    69    74    75    76    77    78    80    83    65    66    67    70  
   58    59    60    61    62    63    64    80    83  
   59    60    61    83  
   60    61    83  
   61    83  
   62    63    64    80    83  
   63    64    83  
   64    83  
   83  
   66    67    70    71    72    73    68    80  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    80    83    79  
   74    75    76    80  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    80    79    81  
   76    77    79  
   77    78    80    83    79    81    82    84  
   78    80    83    79    81  
   80    83    79  
   81    82    84    85    86    87    80  
   83  
   82    84    85    86    87  
   84    85    86    87  
    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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   320.000  1.460
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   549.000  1.340
   51    55   317.000  1.510
   54    56   320.000  1.460
   54    65   317.000  1.510
   56    68   469.000  1.400
   56    80   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    80   469.000  1.400
   80    83   450.000  1.364
   83    55   320.000  1.410
   55    57   268.000  1.529
   55    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   79    81   214.000  1.327
   81    82   570.000  1.229
   81    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    60.00000  118.70000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    60.00000  123.66000
   48    51    55    60.00000  124.00000
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    60.00000  118.70000
   51    54    56    60.00000  123.20500
   51    54    65    70.00000  124.00000
   51    55    83    85.00000  110.90400
   51    55    57    70.00000  112.02700
   51    55    61    70.00000  112.02700
   54    56    68    60.00000  120.93500
   54    56    80    60.00000  120.93500
   54    65    66    35.00000  109.50000
   54    65    67    35.00000  109.50000
   54    65    70    70.00000  112.02700
   56    68    69    35.00000  120.00000
   56    68    74    63.00000  120.00000
   56    80    77    63.00000  120.00000
   56    80    83    70.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    80    63.00000  120.00000
   76    79    81    85.00000  115.98000
   77    80    83    70.00000  120.00000
   80    56    68    63.00000  120.00000
   80    77    78    35.00000  120.00000
   80    83    55    75.00000  111.00000
   83    55    57    50.00000  109.50000
   83    55    61    50.00000  109.50000
   55    51    54    70.00000  124.00000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    55    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   79    76    77    70.00000  120.00000
   79    81    82    83.00000  123.40000
   79    81    84    81.00000  111.40000
   81    84    85    35.00000  109.50000
   81    84    86    35.00000  109.50000
   81    84    87    35.00000  109.50000
   84    81    82    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   65    54    56    65.00000  118.87000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.15800  1.0 1.0
   46    48    51    54   1.85350 -1.0 2.0
   46    48    51    54  -0.48700  1.0 3.0
   46    48    51    55  -0.02500  1.0 1.0
   46    48    51    55  -0.32150 -1.0 2.0
   46    48    51    55  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    56   7.00000 -1.0 2.0
   48    51    54    65   7.00000 -1.0 2.0
   48    51    55    83   0.09700  1.0 1.0
   48    51    55    83   0.15600 -1.0 2.0
   48    51    55    83  -0.50800  1.0 3.0
   48    51    55    57  -0.01700  1.0 1.0
   48    51    55    57   0.06550 -1.0 2.0
   48    51    55    57  -0.91500  1.0 3.0
   48    51    55    61  -0.01700  1.0 1.0
   48    51    55    61   0.06550 -1.0 2.0
   48    51    55    61  -0.91500  1.0 3.0
   49    48    51    54   0.15800  1.0 1.0
   49    48    51    54   1.85350 -1.0 2.0
   49    48    51    54  -0.48700  1.0 3.0
   49    48    51    55  -0.02500  1.0 1.0
   49    48    51    55  -0.32150 -1.0 2.0
   49    48    51    55  -0.01500  1.0 3.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    56    68   0.15800  1.0 1.0
   51    54    56    68   1.85350 -1.0 2.0
   51    54    56    68  -0.48700  1.0 3.0
   51    54    56    80   0.15800  1.0 1.0
   51    54    56    80   1.85350 -1.0 2.0
   51    54    56    80  -0.48700  1.0 3.0
   51    54    65    66   0.00000  1.0 1.0
   51    54    65    67   0.00000  1.0 1.0
   51    54    65    70   0.09850  1.0 1.0
   51    54    65    70   0.15250 -1.0 2.0
   51    54    65    70  -0.50650  1.0 3.0
   51    55    57    58   0.15000  1.0 3.0
   51    55    57    59   0.15000  1.0 3.0
   51    55    57    60   0.15000  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    64   0.15000  1.0 3.0
   54    51    55    83   0.39000  1.0 1.0
   54    51    55    83  -0.05800 -1.0 2.0
   54    51    55    83  -0.55150  1.0 3.0
   54    51    55    57   0.09850  1.0 1.0
   54    51    55    57   0.15250 -1.0 2.0
   54    51    55    57  -0.50650  1.0 3.0
   54    51    55    61   0.09850  1.0 1.0
   54    51    55    61   0.15250 -1.0 2.0
   54    51    55    61  -0.50650  1.0 3.0
   54    56    68    69   3.62500 -1.0 2.0
   54    56    68    74   3.62500 -1.0 2.0
   54    56    80    77   3.62500 -1.0 2.0
   54    56   -80    83   3.62500 -1.0 2.0
   54    65    70    71   0.15000  1.0 3.0
   54    65    70    72   0.15000  1.0 3.0
   54    65    70    73   0.15000  1.0 3.0
   56    54    65    66   0.77000  1.0 3.0
   56    54    65    67   0.77000  1.0 3.0
   56    54    65    70  -0.01700  1.0 1.0
   56    54    65    70   0.06550 -1.0 2.0
   56    54    65    70  -0.91500  1.0 3.0
   56    68    74    75   3.62500 -1.0 2.0
   56    68    74    76   3.62500 -1.0 2.0
   56    80    83    55   1.63200 -1.0 2.0
   68    56    80    77   3.62500 -1.0 2.0
   68    56    80    83   3.62500 -1.0 2.0
   68    74   -76    77   3.62500 -1.0 2.0
   68    74    76    79   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    79    81   0.01300  1.0 1.0
   74    76    79    81   0.97950 -1.0 2.0
   74    76    79    81  -0.55700  1.0 3.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77   -80    56   3.62500 -1.0 2.0
   76    77    80    83   3.62500 -1.0 2.0
   76    79    81    82   3.00000 -1.0 2.0
   76    79    81    84   0.75600  1.0 1.0
   76    79    81    84   1.63000 -1.0 2.0
   77    76    79    81   0.01300  1.0 1.0
   77    76    79    81   0.97950 -1.0 2.0
   77    76    79    81  -0.55700  1.0 3.0
   77    80    83    55   1.63200 -1.0 2.0
   78    77    80    56   3.62500 -1.0 2.0
   78    77    80    83   3.62500 -1.0 2.0
   80    56    68    69   3.62500 -1.0 2.0
   80    56   -68    74   3.62500 -1.0 2.0
   80    83   -55    51  -0.25600  1.0 1.0
   80    83   -55    51  -0.40050 -1.0 2.0
   80    83   -55    51   0.34700  1.0 3.0
   80    83    55    57  -0.32850  1.0 1.0
   80    83    55    57  -0.35800 -1.0 2.0
   80    83    55    57   0.33950  1.0 3.0
   80    83    55    61  -0.32850  1.0 1.0
   80    83    55    61  -0.35800 -1.0 2.0
   80    83    55    61   0.33950  1.0 3.0
   83    55    57    58   0.23400  1.0 3.0
   83    55    57    59   0.23400  1.0 3.0
   83    55    57    60   0.23400  1.0 3.0
   83    55    61    62   0.23400  1.0 3.0
   83    55    61    63   0.23400  1.0 3.0
   83    55    61    64   0.23400  1.0 3.0
   55    51   -54    56   7.00000 -1.0 2.0
   55    51    54    65   7.00000 -1.0 2.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    55    57    58   0.15000  1.0 3.0
   61    55    57    59   0.15000  1.0 3.0
   61    55    57    60   0.15000  1.0 3.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    80   3.62500 -1.0 2.0
   79    81    84    85   0.00000  1.0 1.0
   79    81    84    86   0.00000  1.0 1.0
   79    81    84    87   0.00000  1.0 1.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   82    81    84    87   0.00000  1.0 1.0
   65    54    56    68  -0.02500  1.0 1.0
   65    54    56    68  -0.32150 -1.0 2.0
   65    54    56    68  -0.01500  1.0 3.0
   65    54    56    80  -0.02500  1.0 1.0
   65    54    56    80  -0.32150 -1.0 2.0
   65    54    56    80  -0.01500  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  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
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   48    55    51    54   1.10000 -1.0 2.0
   56    65    54    51   1.10000 -1.0 2.0
   68    80    56    54   4.00000 -1.0 2.0
   74    69    68    56   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   80    78    77    76   1.10000 -1.0 2.0
   77    83    80    56   4.00000 -1.0 2.0
   79    84    81    82  10.50000 -1.0 2.0
END
