* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    153    249     457
    1     0 S   NP   _N1_     1    28.48973    93.95478   -23.75341
    2     1 S   H    _HN1     2     1.02949    83.65877    20.32395
    3     1 S   H    _H1_     3     1.02829    25.60850   176.45983
    4     1 S   H    _H2_     4     1.02785   106.77087   -87.00689
    5     1 S   CT   _CA1     5     1.50120   130.64083   131.83574
    6     5 S   HC   _HA1     6     1.09575   105.17113    78.14086
    7     5 S   CO3  _C1_     7     1.53788   112.52065   -42.02552
    8     7 S   O2Z  _O11     8     1.26370   114.99869   -40.90642
    9     7 S   O2Z  _O12     9     1.26245   114.94780   138.19151
   10     5 S   CT   _CB1    10     1.53080   107.41877  -163.89253
   11    10 S   HC   HB11    11     1.09831   109.32789   -49.75309
   12    10 S   HC   HB12    12     1.09811   110.45897    66.85794
   13    10 S   CT   _CG1    13     1.52973   112.61141  -170.75040
   14    13 S   HC   HG11    14     1.09588   110.59876   -66.53079
   15    13 S   HC   HG12    15     1.09674   109.79321    52.67715
   16    13 S   C    _CD1    16     1.51809   112.29365   173.10938
   17    16 S   O    _OE1    17     1.22715   123.31766     6.64980
   18    16 S   N    _N2_    18     1.38610   111.56503  -173.36629
   19    18 S   H    _HN2    19     1.01562   118.88283     1.99095
   20    18 S   CT1  _CA2    20     1.46182   123.56305   177.87201
   21    20 S   HC   _HA2    21     1.09732   109.44909     1.15691
   22    20 S   C    _C2_    22     1.53573   108.35833  -114.28398
   23    22 S   O    _O2_    23     1.23048   122.38865  -147.51160
   24    20 S   CT   _CB2    32     1.53413   111.48619   123.41099
   25    24 S   HC   HB21    33     1.09405   109.64495    55.13491
   26    24 S   HC   HB22    34     1.09427   109.57054   173.99417
   27    22 S   N    _N3_    24     1.38356   113.62751    39.89676
   28    27 S   H    _HN3    25     1.01590   119.53289    -3.28926
   29    24 S   S    _SG2    35     1.82895   111.22652   -66.76415
   30    27 S   CT   _CA3    26     1.45281   123.22624   177.20159
   31    30 S   HC   HA31    27     1.09548   107.49469   -64.92404
   32    30 S   HC   HA32    28     1.09556   108.00872    51.52372
   33    29 S   CT   _C23    36     1.86517   102.38097   168.18595
   34    33 S   OM   _O39    37     1.32164   106.98593   169.50214
   35    30 S   CO3  _C3_    29     1.52958   114.05869   173.50843
   36    35 S   O2Z  _O31    30     1.26378   116.05795    -1.39423
   37    35 S   O2Z  _O32    31     1.26425   114.42337   178.67234
   38    33 S   CT   _C6_    38     1.56422   110.78899   -72.50787
   39    38 S   HC   _H3_    39     1.09910   108.51298    62.68846
   40    33 S   CT   _C22    69     1.57613   111.71166    48.92378
   41    40 S   HC   _H5_    70     1.09685   105.52571   -63.88766
   42    38 S   CO4  _C7_    40     1.53495   110.90589   175.93957
   43    42 S   O    _O34    41     1.23194   122.36845   130.48663
   44    40 S   OS   _O40    71     1.43680   116.41380    48.63805
   45    38 S   CO4  _C5_    78     1.54081   115.61353   -55.17439
   46    45 S   O    _O33    79     1.23119   123.07658   -66.74680
   47    42 S   CT   _C8_    42     1.53276   116.19554   -54.21166
   48    44 S   CT   _C24    72     1.41716   118.13450    66.71198
   49    48 S   HC   _H17    73     1.09414   107.64058   164.85106
   50    48 S   HC   _H18    74     1.09227   112.45274    46.29791
   51    48 S   HC   _H19    75     1.09238   110.85117   -78.36745
   52    45 S   CT   _C4_    80     1.50861   116.54491   116.12898
   53    52 S   HC   _H6_    81     1.09270   109.40206    65.66204
   54    52 S   HC   _H7_    82     1.09113   110.07177   -55.45435
   55    52 S   HC   _H8_    83     1.09358   109.69051  -174.72170
   56    47 S   CO4  _C21    43     1.52734   111.71165   -73.97566
   57    56 S   O    _O35    44     1.23006   120.76676   -30.25865
   58    47 S   OH   _O41    76     1.42690   108.10739   171.47212
   59    58 S   HO   _H20    77     0.97397   107.65196    51.42731
   60    56 S   CA   _C20    45     1.49492   119.40786   151.65673
   61    60 S   CA   _C11    46     1.39810   118.95353    -0.32686
   62    60 S   CA   _C19    57     1.41173   121.68712  -179.66428
   63    61 S   CA   _C12    47     1.40165   119.22312   179.36882
   64    63 S   HA   _H11    48     1.09028   118.59917  -178.94112
   65    62 S   OH   _O36    58     1.37536   120.81611    -0.12667
   66    65 S   HO   _H14    59     0.97248   109.72505    -1.16012
   67    61 S   CT   _C10    64     1.50477   122.29395     1.68237
   68    67 S   HC   _H9_    65     1.09789   107.67304    92.22963
   69    67 S   HC   _H10    66     1.09588   110.21671  -152.34532
   70    63 S   CA   _C13    49     1.40216   121.97709     1.31938
   71    47 S   CT   _C9_    67     1.53422   110.43990    52.69607
   72    71 S   HC   _H4_    68     1.09867   108.40579    67.93204
   73    70 S   CA   _C14    50     1.40560   119.37630   179.44222
   74    73 S   HA   _H12    51     1.08841   119.99808     0.01978
   75    73 S   CA   _C15    52     1.39085   120.60344  -179.90309
   76    75 S   CA   _C16    53     1.38477   120.54324    -0.00000
   77    76 S   HA   _H13    54     1.08628   119.82877   179.98022
   78    75 S   OH   _O38    62     1.36585   121.18536   179.97202
   79    78 S   HO   _H16    63     0.97240   108.69731    -0.26095
   80    76 S   CA   _C17    55     1.39792   119.24613    -0.03426
   81    70 S   CA   _C18    56     1.41615   120.06145    -0.55107
   82    80 S   OH   _O37    60     1.37318   117.86641  -180.00000
   83    82 S   HO   _H15    61     0.97183   109.25664    -0.11869
  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
  16   8   2   1   1  16   7  17   6  13   5   8   6   4  12   4
   2   1   1   3   2   1   1  12   5   5   1  13  12  10  11   4
   4   1   5   3   2   8   1   1   8   4   7   7   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    71    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    67    71    72    40    41    44    48    45    46    52  
   38    39    42    71    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    56    71    40    41    44    58    45    46    52    53    54    55  
   42    43    47    40    45    46    52  
   41    44    48    49    50    51    58    45    42    47    56    61    67    68    69    71    72  
   44    48    47    67    71    72  
   43    47    56    57    60    67    71    72    58    59    45    46    52  
   47    56    71    58    45  
   48    49    50    51    47    67    71    72  
   46    52    53    54    55    47  
   52    53    54    55  
   56    57    60    61    62    67    68    69    71    72    58    59  
   49    50    51    71  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    60    61    63    81    62    65    67    71    72    58    59  
   60    61    62    71    58  
   59    60    67    71    72  
   71  
   61    63    64    70    80    81    62    65    66    67    68    69    71  
   63    64    70    73    81    62    65    67    68    69    71    72  
   65    66    82    67    63    70    73    76    80    81  
   64    70    73    74    75    80    81    67    68    69    71  
   70    73    81    67  
   66    70    80    81  
   81  
   68    69    71    72    70  
   69    71    72  
   71    72  
   73    74    75    76    80    81    82    78  
   72  
    0  
   74    75    76    77    80    81    78    79  
   75    76    81    78  
   76    77    80    81    82    78    79  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    56   317.000  1.522
   47    71   268.000  1.529
   47    58   320.000  1.410
   56    57   570.000  1.229
   56    60   310.000  1.470
   60    61   469.000  1.400
   60    62   469.000  1.400
   61    63   469.000  1.400
   61    67   317.000  1.510
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    73   469.000  1.400
   70    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    62   469.000  1.400
   62    65   450.000  1.364
   65    66   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   58    59   553.000  0.945
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    52    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    47    56    75.00000  107.99600
   42    47    71    63.00000  111.10000
   42    47    58    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    56    57    80.00000  120.40000
   47    56    60    65.00000  115.47100
   47    71    67    58.35000  112.70000
   47    71    72    37.50000  110.70000
   47    71    40    58.35000  112.70000
   47    58    59    55.00000  108.50000
   56    60    61    60.00000  119.52600
   56    60    62    60.00000  119.52600
   60    56    57    75.00000  123.78400
   60    61    63    63.00000  120.00000
   60    61    67    70.00000  120.00000
   60    62    81    63.00000  120.00000
   60    62    65    70.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    71    70.00000  112.17500
   63    70    73    63.00000  120.00000
   63    70    81    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    73    74    35.00000  120.00000
   70    73    75    63.00000  120.00000
   70    81    80    63.00000  120.00000
   70    81    62    63.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    63.00000  120.00000
   76    80    82    70.00000  120.00000
   80    76    77    35.00000  120.00000
   80    81    62    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    70    73    63.00000  120.00000
   81    62    65    70.00000  120.00000
   62    60    61    63.00000  120.00000
   62    65    66    35.00000  113.00000
   82    80    81    70.00000  120.00000
   78    75    76    70.00000  120.00000
   67    61    63    70.00000  120.00000
   67    71    72    37.50000  110.70000
   67    71    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    47    56    63.00000  111.10000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    44    48    60.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   58    47    56    90.00000  109.61100
   58    47    71    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    75.00000  107.99600
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   52    45    46    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    52   0.60050  1.0 1.0
   33    38    45    52   0.05600 -1.0 2.0
   33    38    45    52   0.26150  1.0 3.0
   33    40    44    48   0.06250  1.0 1.0
   33    40    44    48  -0.01100 -1.0 2.0
   33    40    44    48   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    71   0.62750  1.0 1.0
   34    33    40    71  -0.30950 -1.0 2.0
   34    33    40    71   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.11900  1.0 1.0
   34    33    40    44  -1.16350 -1.0 2.0
   34    33    40    44  -0.34150  1.0 3.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.62750  1.0 1.0
   38    33    40    44  -0.30950 -1.0 2.0
   38    33    40    44   0.27300  1.0 3.0
   38    42    47    56   0.65300  1.0 1.0
   38    42    47    56  -0.03850 -1.0 2.0
   38    42    47    56   0.33900  1.0 3.0
   38    42   -47    71   0.60050  1.0 1.0
   38    42   -47    71   0.05600 -1.0 2.0
   38    42   -47    71   0.26150  1.0 3.0
   38    42    47    58   0.55300  1.0 1.0
   38    42    47    58   1.25850 -1.0 2.0
   38    42    47    58  -0.23600  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    54   0.00000  1.0 1.0
   38    45    52    55   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    52   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    52   0.65300  1.0 1.0
   42    38    45    52  -0.03850 -1.0 2.0
   42    38    45    52   0.33900  1.0 3.0
   42    47    56    57   0.30150 -1.0 2.0
   42    47    56    60   0.65300  1.0 1.0
   42    47    56    60  -0.03850 -1.0 2.0
   42    47    56    60   0.33900  1.0 3.0
   42    47    71    67  -0.95700  1.0 1.0
   42    47    71    67  -0.18200 -1.0 2.0
   42    47    71    67   0.29450  1.0 3.0
   42    47    71    72  -0.11250  1.0 3.0
   42    47    71    40  -0.95700  1.0 1.0
   42    47    71    40  -0.18200 -1.0 2.0
   42    47    71    40   0.29450  1.0 3.0
   42    47    58    59   0.91850  1.0 1.0
   42    47    58    59   0.57950  1.0 3.0
   43    42    47    56   0.30150 -1.0 2.0
   43    42    47    71   0.30150 -1.0 2.0
   43    42    47    58   0.30150 -1.0 2.0
   47    56    60    61   2.26350  1.0 1.0
   47    56    60    61   0.76750 -1.0 2.0
   47    56    60    61   0.22500  1.0 3.0
   47    56    60    62   2.26350  1.0 1.0
   47    56    60    62   0.76750 -1.0 2.0
   47    56    60    62   0.22500  1.0 3.0
   47    71   -40    33   0.56750  1.0 1.0
   47    71   -40    33  -0.07550 -1.0 2.0
   47    71   -40    33   0.20000  1.0 3.0
   47    71    40    41   0.15000  1.0 3.0
   47    71    40    44   0.62750  1.0 1.0
   47    71    40    44  -0.30950 -1.0 2.0
   47    71    40    44   0.27300  1.0 3.0
   56    47    71    67  -0.95700  1.0 1.0
   56    47    71    67  -0.18200 -1.0 2.0
   56    47    71    67   0.29450  1.0 3.0
   56    47    71    72  -0.11250  1.0 3.0
   56    47    71    40  -0.95700  1.0 1.0
   56    47    71    40  -0.18200 -1.0 2.0
   56    47    71    40   0.29450  1.0 3.0
   56    47    58    59   0.91850  1.0 1.0
   56    47    58    59   0.57950  1.0 3.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60   -61    67   3.62500 -1.0 2.0
   56    60    62    81   3.62500 -1.0 2.0
   56    60    62    65   3.62500 -1.0 2.0
   57    56    60    61   1.05000 -1.0 2.0
   57    56    60    62   1.05000 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61    67    71   0.04150 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    81   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   61    63    70    73   3.62500 -1.0 2.0
   61    63   -70    81   3.62500 -1.0 2.0
   61    67   -71    47  -0.03700  1.0 1.0
   61    67   -71    47   0.37200 -1.0 2.0
   61    67   -71    47  -0.47300  1.0 3.0
   61    67    71    72   0.43200  1.0 3.0
   61    67    71    40  -0.03700  1.0 1.0
   61    67    71    40   0.37200 -1.0 2.0
   61    67    71    40  -0.47300  1.0 3.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   63    61    67    71   0.04150 -1.0 2.0
   63    70    73    74   3.62500 -1.0 2.0
   63    70    73    75   3.62500 -1.0 2.0
   63    70    81    80   3.62500 -1.0 2.0
   63    70    81    62   3.62500 -1.0 2.0
   64    63    70    73   3.62500 -1.0 2.0
   64    63    70    81   3.62500 -1.0 2.0
   70    73    75    76   3.62500 -1.0 2.0
   70    73    75    78   3.62500 -1.0 2.0
   70    81   -62    60   3.62500 -1.0 2.0
   70    81    62    65   3.62500 -1.0 2.0
   73    70    81    80   3.62500 -1.0 2.0
   73    70    81    62   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75   -76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   75    76    80    82   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   76    80   -81    70   3.62500 -1.0 2.0
   76    80    81    62   3.62500 -1.0 2.0
   76    80    82    83   0.84100 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    81    62    60   3.62500 -1.0 2.0
   80    81    62    65   3.62500 -1.0 2.0
   81    70    73    74   3.62500 -1.0 2.0
   81    70   -73    75   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    62    65    66   0.84100 -1.0 2.0
   62    60   -61    63   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   82    80    81    70   3.62500 -1.0 2.0
   82    80    81    62   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   67    61    63    64   3.62500 -1.0 2.0
   67    61    63    70   3.62500 -1.0 2.0
   67    71    40    33   0.56750  1.0 1.0
   67    71    40    33  -0.07550 -1.0 2.0
   67    71    40    33   0.20000  1.0 3.0
   67    71    40    41   0.15000  1.0 3.0
   67    71    40    44   0.62750  1.0 1.0
   67    71    40    44  -0.30950 -1.0 2.0
   67    71    40    44   0.27300  1.0 3.0
   68    67    71    47   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    40   0.15000  1.0 3.0
   69    67    71    47   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    40   0.15000  1.0 3.0
   71    47    56    57   0.30150 -1.0 2.0
   71    47   -56    60   0.05850 -1.0 2.0
   71    47   -56    60   0.17250  1.0 3.0
   71    47    58    59  -0.11600  1.0 1.0
   71    47    58    59  -0.09450 -1.0 2.0
   71    47    58    59   0.21250  1.0 3.0
   71    40    44    48   0.06250  1.0 1.0
   71    40    44    48  -0.01100 -1.0 2.0
   71    40    44    48   0.28050  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    50   0.37050  1.0 3.0
   40    44    48    51   0.37050  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   58    47    56    57   0.30150 -1.0 2.0
   58    47    56    60   0.65300  1.0 1.0
   58    47    56    60  -0.03850 -1.0 2.0
   58    47    56    60   0.33900  1.0 3.0
   58    47    71    67   0.86500  1.0 1.0
   58    47    71    67  -0.17500 -1.0 2.0
   58    47    71    67   0.20800  1.0 3.0
   58    47    71    72   0.23400  1.0 3.0
   58    47    71    40   0.86500  1.0 1.0
   58    47    71    40  -0.17500 -1.0 2.0
   58    47    71    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   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
   38    47    42    43  10.50000 -1.0 2.0
   47    60    56    57  10.50000 -1.0 2.0
   61    62    60    56   4.00000 -1.0 2.0
   63    67    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   73    81    70    63   4.00000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   81    82    80    76   4.00000 -1.0 2.0
   80    62    81    70   4.00000 -1.0 2.0
   81    65    62    60   4.00000 -1.0 2.0
   38    52    45    46  10.50000 -1.0 2.0
END
