* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    163    244     477
    1     0 S   NP   _N1_     1    29.04886    92.69196   -19.28032
    2     1 S   H    _HN1     2     1.02774    82.64096   -65.79757
    3     1 S   H    _H1_     3     1.02975   109.27397    41.08225
    4     1 S   H    _H2_     4     1.02828    26.41433   130.74977
    5     1 S   CT   _CA1     5     1.50157   129.71503  -178.69959
    6     5 S   HC   _HA1     6     1.09579   105.22618    37.72712
    7     5 S   CO3  _C1_     7     1.53828   112.40485   -82.25966
    8     7 S   O2Z  _O11     8     1.26344   115.10835   -41.49318
    9     7 S   O2Z  _O12     9     1.26260   114.90564   137.66819
   10     5 S   CT   _CB1    10     1.53067   107.29115   155.44904
   11    10 S   HC   HB11    11     1.09816   109.25378   -51.89323
   12    10 S   HC   HB12    12     1.09751   110.29945    64.46694
   13    10 S   CT   _CG1    13     1.52973   112.95280  -173.24829
   14    13 S   HC   HG11    14     1.09479   110.10809   -61.10186
   15    13 S   HC   HG12    15     1.09608   110.31669    58.02149
   16    13 S   C    _CD1    16     1.51826   112.02858   178.08828
   17    16 S   O    _OE1    17     1.22752   123.00341   -18.63662
   18    16 S   N    _N2_    18     1.38587   111.89104   162.44267
   19    18 S   H    _HN2    19     1.01570   119.12144     1.06441
   20    18 S   CT1  _CA2    20     1.46367   123.44784  -177.58054
   21    20 S   HC   _HA2    21     1.09736   109.30516   -15.53192
   22    20 S   C    _C2_    22     1.53427   108.29552  -131.18992
   23    22 S   O    _O2_    23     1.22998   122.36642  -146.57399
   24    20 S   CT   _CB2    32     1.53563   111.24819   106.53281
   25    24 S   HC   HB21    33     1.09527   109.31421    55.19695
   26    24 S   HC   HB22    34     1.09463   110.56560   173.77616
   27    22 S   N    _N3_    24     1.38560   113.30077    40.89510
   28    27 S   H    _HN3    25     1.01529   118.84374    -0.63704
   29    24 S   S    _SG2    35     1.82964   111.19279   -66.81195
   30    27 S   CT   _CA3    26     1.45442   123.48310   175.14615
   31    30 S   HC   HA31    27     1.09521   109.26560    23.69511
   32    30 S   HC   HA32    28     1.09496   107.10658   140.70037
   33    29 S   CT   _C12    36     1.86644   100.54559   147.49886
   34    33 S   HC   _H6_    37     1.09201   105.12092   -26.42584
   35    30 S   CO3  _C3_    29     1.52925   113.13382   -99.80897
   36    35 S   O2Z  _O31    30     1.26402   115.42053   -43.98975
   37    35 S   O2Z  _O32    31     1.26359   114.97760   136.98101
   38    33 S   CT   _C13    38     1.54929   105.56912  -140.48570
   39    38 S   HC   _H14    39     1.09969   110.19600   -39.19637
   40    38 S   HC   _H15    40     1.08777   112.04316  -151.29008
   41    33 S   CT   _C11    62     1.58010   115.24566    93.92114
   42    41 S   OM   _O35    63     1.32482   110.15000   -58.56006
   43    38 S   CT   _C14    41     1.54645   114.58516    83.67824
   44    43 S   HC   _H7_    42     1.09864   106.99318   -66.15809
   45    41 S   CT   _C17    64     1.54726   111.82539    60.72395
   46    45 S   HC   _H19    65     1.09693   112.82314   -60.54300
   47    45 S   HC   _H20    66     1.09880   111.76757   179.28018
   48    45 S   HC   _H21    67     1.09591   111.17789    60.19796
   49    43 S   CM   _C5_    43     1.52731   119.12168    55.38293
   50    43 S   OS   _O33    83     1.44993   109.02154   177.12050
   51    49 S   CM   _C6_    44     1.35054   128.74427    43.96112
   52    51 S   HC   _H11    45     1.09063   117.34931   179.14728
   53    49 S   CT   _C4_    79     1.51236   113.04703  -137.90367
   54    53 S   HC   _H8_    80     1.09450   110.15957   -56.38123
   55    53 S   HC   _H9_    81     1.09506   112.79896  -176.40283
   56    53 S   HC   _H10    82     1.09477   110.04428    63.60405
   57    50 S   CO4  _C15    84     1.36243   117.82250    82.45963
   58    57 S   O    _O34    85     1.22323   126.58398    -2.06640
   59    51 S   CT   _C7_    46     1.49840   129.43288     0.10468
   60    59 S   HC   _H3_    47     1.08778   111.35312     8.45749
   61    57 S   CT   _C16    86     1.49827   109.43011   178.36362
   62    61 S   HC   _H16    87     1.09300   109.86297   -58.42689
   63    61 S   HC   _H17    88     1.09378   109.35034  -177.29651
   64    61 S   HC   _H18    89     1.09278   109.80426    63.48604
   65    59 S   CT   _C8_    48     1.52843   113.77229  -120.73746
   66    65 S   HC   _H4_    49     1.10117   108.99343   -49.60223
   67    65 S   CM   _C22    50     1.49404    98.08275  -158.39830
   68    65 S   CT   _C9_    57     1.54124   115.42929    71.16132
   69    68 S   HC   _H5_    58     1.09274   107.37626   -62.38208
   70    67 S   CO4  _C24    51     1.48539   106.82114    31.63109
   71    70 S   O    _O38    52     1.21714   127.19625   165.44758
   72    67 S   CM   _C23    54     1.33484   131.45393  -146.73995
   73    72 S   HC   _H27    55     1.08391   121.47649    -0.89831
   74    72 S   HC   _H28    56     1.08533   121.49183   179.05872
   75    68 S   CT   _C10    59     1.55020   115.74169    60.97377
   76    75 S   HC   _H12    60     1.09433   110.17098    -8.07618
   77    75 S   HC   _H13    61     1.10180   108.68088   105.62639
   78    68 S   OS   _O36    68     1.45359   109.06203  -178.08582
   79    59 S   OS   _O39    53     1.44380   109.87754   123.66591
   80    78 S   CO4  _C18    69     1.35902   118.23171    83.25409
   81    80 S   O    _O37    70     1.22253   126.15147    -2.01101
   82    80 S   CM   _C19    71     1.48986   109.35696   178.31391
   83    82 S   CM   _C20    72     1.34145   117.44170   177.50833
   84    83 S   HC   _H22    73     1.08548   120.94999   179.80021
   85    83 S   HC   _H23    74     1.08532   122.45896    -0.15323
   86    82 S   CT   _C21    75     1.49786   120.08103    -2.82203
   87    86 S   HC   _H24    76     1.09503   110.60006   -58.78138
   88    86 S   HC   _H25    77     1.09489   110.59316    61.75314
   89    86 S   HC   _H26    78     1.09538   111.88161  -178.49611
  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
  18   8   2   1   1  13   6   5  13   8  13   5   7   3   2   1
  12   8  13   5   4   2   1   1   5   4  12   6   3   2   1   1
  15   8  10  11   5   5   2   3   1   1   4   2   1   5   1   9
   3   7   6   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    75    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    68    75    76    77    41    42    45    46    47    48    50  
   38    39    40    43    75    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    51    75    41    42    45    53    50    57  
   40    43    44    49    41    50  
   43    44    49    41    50  
   42    45    46    47    48    78    43    65    68    69    75    76    77  
   45    46    47    48    68    75    76    77  
   44    49    51    52    59    53    54    55    56    50    57    58    61  
   49    51    53    50    57  
   46    47    48    68    75    76    77  
   47    48    75  
   48    75  
   75  
   51    52    59    60    65    79    53    54    55    56    50    57  
   57    58    61    62    63    64    51    53  
   52    59    60    65    66    67    70    79    68    53    54    55    56  
   59    60    65    79    53  
   54    55    56    59  
   55    56  
   56  
    0  
   58    61    62    63    64  
   61    62    63    64  
   60    65    66    67    70    71    79    72    68    69    75    78  
   65    66    67    70    79    68  
   62    63    64  
   63    64  
   64  
    0  
   66    67    70    71    79    72    73    74    68    69    75    76    77    78    80  
   67    70    79    72    68    69    75    78  
   70    71    79    72    73    74    68    69    75    78  
   69    75    76    77    78    80    81    82    70    72    79  
   75    76    77    78    80  
   71    79    72    73    74  
   79    72  
   73    74    79  
   74  
    0  
   76    77    78    80  
   77    78  
   78  
   80    81    82    83    86  
    0  
   81    82    83    84    85    86    87    88    89  
   82    83    86  
   83    84    85    86    87    88    89  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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  -0.120000   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    49   317.000  1.510
   43    50   320.000  1.410
   49    51   549.000  1.340
   49    53   317.000  1.510
   51    52   340.000  1.080
   51    59   317.000  1.510
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    79   320.000  1.410
   65    66   340.000  1.090
   65    67   317.000  1.510
   65    68   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    79   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    78   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    41   268.000  1.529
   41    42   570.000  1.307
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   78    80   214.000  1.327
   80    81   570.000  1.229
   80    82   320.000  1.462
   82    83   549.000  1.340
   82    86   317.000  1.510
   83    84   340.000  1.080
   83    85   340.000  1.080
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   50    57   214.000  1.327
   57    58   570.000  1.229
   57    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    75    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    49    70.00000  112.02700
   38    43    50    50.00000  109.50000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    51    70.00000  124.00000
   43    49    53    65.00000  117.92700
   43    50    57    83.00000  116.90000
   49    43    44    35.00000  109.50000
   49    51    52    35.00000  120.00000
   49    51    59    70.00000  124.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   51    59    60    35.00000  109.50000
   51    59    65    70.00000  112.02700
   51    59    79    85.00000  110.90400
   59    51    52    35.00000  117.00000
   59    65    66    37.50000  110.70000
   59    65    67    70.00000  112.02700
   59    65    68    58.35000  112.70000
   59    79    70    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    70    65.00000  116.34900
   65    67    72    70.00000  124.00000
   65    68    69    37.50000  110.70000
   65    68    75    58.35000  112.70000
   65    68    78    50.00000  109.50000
   67    65    66    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    79    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   79    59    60    35.00000  109.50000
   79    59    65    50.00000  109.50000
   79    70    71    83.00000  123.40000
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   68    65    66    37.50000  110.70000
   68    65    67    70.00000  112.02700
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    41    58.35000  112.70000
   68    78    80    83.00000  116.90000
   75    68    69    37.50000  110.70000
   75    41    42    50.00000  109.50000
   75    41    45    58.35000  112.70000
   77    75    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    75    76    37.50000  110.70000
   41    75    77    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   78    68    69    35.00000  109.50000
   78    68    75    50.00000  109.50000
   78    80    81    83.00000  123.40000
   78    80    82    90.00000  111.29400
   80    82    83    65.00000  118.96000
   80    82    86    65.00000  116.34900
   82    80    81    80.00000  123.72100
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   85    83    84    35.00000  117.00000
   86    82    83    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   53    49    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    49    85.00000  110.90400
   50    57    58    83.00000  123.40000
   50    57    61    81.00000  111.40000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   61    57    58    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    75   0.44750  1.0 1.0
   29    33    41    75  -0.17800 -1.0 2.0
   29    33    41    75   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    38    43    50   0.62750  1.0 1.0
   33    38    43    50  -0.30950 -1.0 2.0
   33    38    43    50   0.27300  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   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    43   0.15000  1.0 3.0
   34    33    41    75   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    75   0.56750  1.0 1.0
   38    33    41    75  -0.07550 -1.0 2.0
   38    33    41    75   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    51   0.09850  1.0 1.0
   38    43    49    51   0.15250 -1.0 2.0
   38    43    49    51  -0.50650  1.0 3.0
   38    43    49    53   0.46850  1.0 1.0
   38    43    49    53   0.08550 -1.0 2.0
   38    43    49    53   0.09800  1.0 3.0
   38    43    50    57  -0.25900  1.0 1.0
   38    43    50    57  -0.47000 -1.0 2.0
   38    43    50    57   0.11750  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    43    50   0.23400  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   40    38    43    50   0.23400  1.0 3.0
   43    49    51    52   7.00000 -1.0 2.0
   43    49    51    59   7.00000 -1.0 2.0
   43    49    53    54   0.34800  1.0 3.0
   43    49    53    55   0.34800  1.0 3.0
   43    49    53    56   0.34800  1.0 3.0
   43    50    57    58   3.00000 -1.0 2.0
   43    50    57    61   1.63150  1.0 1.0
   43    50    57    61   2.92000 -1.0 2.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    53   0.34800  1.0 3.0
   44    43    50    57   0.08050  1.0 3.0
   49    43    50    57  -0.82050  1.0 1.0
   49    43    50    57   0.00600 -1.0 2.0
   49    43    50    57   0.04400  1.0 3.0
   49    51    59    60   0.00000  1.0 1.0
   49    51    59    65   0.09850  1.0 1.0
   49    51    59    65   0.15250 -1.0 2.0
   49    51    59    65  -0.50650  1.0 3.0
   49    51    59    79   0.39000  1.0 1.0
   49    51    59    79  -0.05800 -1.0 2.0
   49    51    59    79  -0.55150  1.0 3.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    55   0.00000  1.0 1.0
   51    49    53    56   0.00000  1.0 1.0
   51    59    65    66   0.15000  1.0 3.0
   51    59    65    67   0.31000  1.0 1.0
   51    59    65    67   0.14700 -1.0 2.0
   51    59    65    67   0.07550  1.0 3.0
   51    59    65    68   0.34400  1.0 1.0
   51    59    65    68   0.09450 -1.0 2.0
   51    59    65    68   0.11100  1.0 3.0
   51    59    79    70  -0.82050  1.0 1.0
   51    59    79    70   0.00600 -1.0 2.0
   51    59    79    70   0.04400  1.0 3.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    65   0.00000  1.0 1.0
   52    51    59    79   0.00000  1.0 1.0
   59    65   -67    70   0.09700  1.0 1.0
   59    65   -67    70   0.15600 -1.0 2.0
   59    65   -67    70  -0.50800  1.0 3.0
   59    65    67    72   0.09850  1.0 1.0
   59    65    67    72   0.15250 -1.0 2.0
   59    65    67    72  -0.50650  1.0 3.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    75   0.56750  1.0 1.0
   59    65    68    75  -0.07550 -1.0 2.0
   59    65    68    75   0.20000  1.0 3.0
   59    65    68    78   0.62750  1.0 1.0
   59    65    68    78  -0.30950 -1.0 2.0
   59    65    68    78   0.27300  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   60    59    79    70   0.08050  1.0 3.0
   65    59   -79    70  -0.25900  1.0 1.0
   65    59   -79    70  -0.47000 -1.0 2.0
   65    59   -79    70   0.11750  1.0 3.0
   65    67    70    71  -0.64400  1.0 1.0
   65    67    70    71   0.26850 -1.0 2.0
   65    67   -70    79  -0.15000  1.0 1.0
   65    67   -70    79   0.89550 -1.0 2.0
   65    67   -70    79  -0.06900  1.0 3.0
   65    67    72    73   7.00000 -1.0 2.0
   65    67    72    74   7.00000 -1.0 2.0
   65    68    75    76   0.15000  1.0 3.0
   65    68    75    77   0.15000  1.0 3.0
   65    68    75    41   0.56750  1.0 1.0
   65    68    75    41  -0.07550 -1.0 2.0
   65    68    75    41   0.20000  1.0 3.0
   65    68    78    80  -0.25900  1.0 1.0
   65    68    78    80  -0.47000 -1.0 2.0
   65    68    78    80   0.11750  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    67    72   0.00000  1.0 1.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    75   0.15000  1.0 3.0
   66    65    68    78   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    75   0.34400  1.0 1.0
   67    65    68    75   0.09450 -1.0 2.0
   67    65    68    75   0.11100  1.0 3.0
   67    65    68    78   0.61850  1.0 1.0
   67    65    68    78  -0.22750 -1.0 2.0
   67    65    68    78   0.15300  1.0 3.0
   67    70   -79    59   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   71    70    79    59   3.00000 -1.0 2.0
   79    59    65    66   0.23400  1.0 3.0
   79    59   -65    67   0.61850  1.0 1.0
   79    59   -65    67  -0.22750 -1.0 2.0
   79    59   -65    67   0.15300  1.0 3.0
   79    59    65    68   0.62750  1.0 1.0
   79    59    65    68  -0.30950 -1.0 2.0
   79    59    65    68   0.27300  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    79  -0.56150  1.0 1.0
   72    67    70    79   2.19150 -1.0 2.0
   68    65    67    70   0.09700  1.0 1.0
   68    65    67    70   0.15600 -1.0 2.0
   68    65    67    70  -0.50800  1.0 3.0
   68    65    67    72   0.09850  1.0 1.0
   68    65    67    72   0.15250 -1.0 2.0
   68    65    67    72  -0.50650  1.0 3.0
   68    75    41    33   0.56750  1.0 1.0
   68    75    41    33  -0.07550 -1.0 2.0
   68    75    41    33   0.20000  1.0 3.0
   68    75    41    42   0.62750  1.0 1.0
   68    75    41    42  -0.30950 -1.0 2.0
   68    75    41    42   0.27300  1.0 3.0
   68    75    41    45   0.56750  1.0 1.0
   68    75    41    45  -0.07550 -1.0 2.0
   68    75    41    45   0.20000  1.0 3.0
   68    78    80    81   3.00000 -1.0 2.0
   68    78    80    82   2.00000 -1.0 2.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    41   0.15000  1.0 3.0
   69    68    78    80   0.08050  1.0 3.0
   75    68    78    80  -0.25900  1.0 1.0
   75    68    78    80  -0.47000 -1.0 2.0
   75    68    78    80   0.11750  1.0 3.0
   75    41    45    46   0.15000  1.0 3.0
   75    41    45    47   0.15000  1.0 3.0
   75    41    45    48   0.15000  1.0 3.0
   76    75    41    33   0.15000  1.0 3.0
   76    75    41    42   0.23400  1.0 3.0
   76    75    41    45   0.15000  1.0 3.0
   77    75    41    33   0.15000  1.0 3.0
   77    75    41    42   0.23400  1.0 3.0
   77    75    41    45   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    45    46   0.23400  1.0 3.0
   42    41    45    47   0.23400  1.0 3.0
   42    41    45    48   0.23400  1.0 3.0
   78    68    75    76   0.23400  1.0 3.0
   78    68    75    77   0.23400  1.0 3.0
   78    68    75    41   0.62750  1.0 1.0
   78    68    75    41  -0.30950 -1.0 2.0
   78    68    75    41   0.27300  1.0 3.0
   78    80    82    83  -0.56150  1.0 1.0
   78    80    82    83   2.19150 -1.0 2.0
   78    80    82    86  -0.15000  1.0 1.0
   78    80    82    86   0.89550 -1.0 2.0
   78    80    82    86  -0.06900  1.0 3.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    85   7.00000 -1.0 2.0
   80    82    86    87   0.15000  1.0 3.0
   80    82    86    88   0.15000  1.0 3.0
   80    82    86    89   0.15000  1.0 3.0
   81    80    82    83   1.00000 -1.0 2.0
   81    80    82    86  -0.64400  1.0 1.0
   81    80    82    86   0.26850 -1.0 2.0
   83    82    86    87   0.00000  1.0 1.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86    89   0.00000  1.0 1.0
   86    82    83    84   7.00000 -1.0 2.0
   86    82    83    85   7.00000 -1.0 2.0
   53    49    51    52   7.00000 -1.0 2.0
   53    49    51    59   7.00000 -1.0 2.0
   50    43    49    51   0.39000  1.0 1.0
   50    43    49    51  -0.05800 -1.0 2.0
   50    43    49    51  -0.55150  1.0 3.0
   50    43    49    53   0.09700  1.0 1.0
   50    43    49    53   0.15600 -1.0 2.0
   50    43    49    53  -0.50800  1.0 3.0
   50    57    61    62   0.00000  1.0 1.0
   50    57    61    63   0.00000  1.0 1.0
   50    57    61    64   0.00000  1.0 1.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    64   0.00000  1.0 1.0
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
   43    53    49    51   1.10000 -1.0 2.0
   59    52    51    49   1.10000 -1.0 2.0
   65    70    67    72   1.10000 -1.0 2.0
   67    79    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   78    82    80    81  10.50000 -1.0 2.0
   80    86    82    83  15.00000 -1.0 2.0
   84    85    83    82  15.00000 -1.0 2.0
   50    61    57    58  10.50000 -1.0 2.0
END
