* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    319     582
    1     0 S   NP   _N1_     1    28.59226    96.77345   -22.56866
    2     1 S   H    _HN1     2     1.02784    97.56558   -83.47222
    3     1 S   H    _H1_     3     1.02950    71.09749    23.41082
    4     1 S   H    _H2_     4     1.02829    43.15474   168.38044
    5     1 S   CT   _CA1     5     1.50110   146.94358   122.00212
    6     5 S   HC   _HA1     6     1.09572   105.20820    91.20123
    7     5 S   CO3  _C1_     7     1.53807   112.46180   -29.04731
    8     7 S   O2Z  _O11     8     1.26372   115.01170   -42.37035
    9     7 S   O2Z  _O12     9     1.26243   114.95686   136.81106
   10     5 S   CT   _CB1    10     1.53089   107.42108  -150.79950
   11    10 S   HC   HB11    11     1.09830   109.41672   -49.66393
   12    10 S   HC   HB12    12     1.09813   110.42492    66.95945
   13    10 S   CT   _CG1    13     1.52971   112.58103  -170.65336
   14    13 S   HC   HG11    14     1.09589   110.57789   -64.59215
   15    13 S   HC   HG12    15     1.09668   109.83763    54.62382
   16    13 S   C    _CD1    16     1.51795   112.31929   175.09124
   17    16 S   O    _OE1    17     1.22719   123.33596     4.25768
   18    16 S   N    _N2_    18     1.38638   111.58165  -175.86488
   19    18 S   H    _HN2    19     1.01586   118.92095     2.02748
   20    18 S   CT1  _CA2    20     1.46194   123.45069   178.48148
   21    20 S   HC   _HA2    21     1.09735   109.41243     0.36045
   22    20 S   C    _C2_    22     1.53484   108.61380  -115.18357
   23    22 S   O    _O2_    23     1.23053   122.28406  -148.03119
   24    20 S   CT   _CB2    32     1.53270   111.37374   122.38762
   25    24 S   HC   HB21    33     1.09525   109.99891    55.75821
   26    24 S   HC   HB22    34     1.09523   110.39319   174.81673
   27    22 S   N    _N3_    24     1.38331   113.65118    39.45052
   28    27 S   H    _HN3    25     1.01601   119.56191    -3.45632
   29    24 S   S    _SG2    35     1.82771   111.43430   -65.70828
   30    27 S   CT   _CA3    26     1.45286   123.19226   177.04600
   31    30 S   HC   HA31    27     1.09550   107.51859   -64.23297
   32    30 S   HC   HA32    28     1.09557   107.96946    52.19518
   33    29 S   CT   _C15    36     1.85077    99.47180   173.65749
   34    33 S   HC   _H5_    37     1.09238   107.13192    25.91108
   35    30 S   CO3  _C3_    29     1.52952   114.09607   174.18479
   36    35 S   O2Z  _O31    30     1.26372   116.06779    -0.73355
   37    35 S   O2Z  _O32    31     1.26428   114.41293   179.32740
   38    33 S   CT   _C16    38     1.55478   103.81475   -88.51106
   39    38 S   HC   _H17    39     1.09665   108.33655   -56.60842
   40    38 S   HC   _H18    40     1.09776   110.82771    59.75169
   41    38 S   CT   _C17    41     1.53317   112.74335  -178.15411
   42    41 S   CT   _C18    42     1.53962   107.04318    58.95305
   43    42 S   HC   _H6_    43     1.09843   108.07977    56.70530
   44    41 S   CT   _C25    93     1.55639   108.80449   -65.20159
   45    44 S   HC   _H27    94     1.09458   112.52729  -177.80260
   46    44 S   HC   _H28    95     1.09241   113.31189    61.18491
   47    44 S   HC   _H29    96     1.09651   110.41480   -58.25000
   48    42 S   CT   _C19    44     1.52931   103.06175   169.55765
   49    48 S   HC   _H19    45     1.09418   112.22038  -154.79348
   50    48 S   HC   _H20    46     1.09602   111.44027    84.84422
   51    42 S   CT   _C13    60     1.53872   112.89272   -62.55244
   52    51 S   HC   _H4_    61     1.09569   105.76763   -58.73675
   53    48 S   CT   _C20    47     1.53733   104.87479   -34.26970
   54    53 S   HC   _H21    48     1.09642   110.17002   129.46641
   55    53 S   HC   _H22    49     1.09575   109.85618  -113.41376
   56    51 S   CT   _C12    62     1.54998   113.00660  -172.95934
   57    56 S   HC   _H3_    63     1.09945   108.57389    57.88640
   58    33 S   CT   _C14    79     1.59223   114.71076   146.07830
   59    41 S   CT   _C21    50     1.55886   117.17343   170.76124
   60    56 S   CT   _C11    64     1.53167   108.91679   171.80842
   61    60 S   HC   _H15    65     1.09829   108.90458   -66.10533
   62    60 S   HC   _H16    66     1.09801   109.44973   179.22722
   63    58 S   OH   _O36    80     1.44147   107.78128    47.64094
   64    63 S   HO   _H30    81     0.97068   109.09708    45.05213
   65    56 S   CO4  _C26    86     1.53363   115.09136   -57.96717
   66    65 S   O    _O37    87     1.22634   123.15313    64.40311
   67    59 S   CT   _C22    51     1.52556   117.39547   -33.36666
   68    67 S   HC   _H23    52     1.09510   111.54031    45.08646
   69    67 S   HC   _H24    53     1.09379   114.38552   -77.88765
   70    60 S   CM   _C10    67     1.51220   113.52180    54.10718
   71    65 S   OS   _O38    88     1.36062   112.45322  -115.92242
   72    67 S   CT   _C23    54     1.51417   102.69783   159.45877
   73    72 S   HC   _H25    55     1.09248   111.44851  -150.03900
   74    72 S   HC   _H26    56     1.09321   112.31250    85.17746
   75    70 S   CM   _C9_    68     1.34514   117.89467   131.06873
   76    75 S   HC   _H14    69     1.08506   122.04152    -2.56063
   77    71 S   CT   _C27    89     1.43042   115.73834   178.76679
   78    77 S   HC   _H31    90     1.09326   108.06564  -178.85261
   79    77 S   HC   _H32    91     1.09411   110.26038    62.46147
   80    77 S   HC   _H33    92     1.09425   110.30595   -60.20586
   81    72 S   CO4  _C24    57     1.49850   101.66752   -31.64363
   82    81 S   O    _O34    58     1.22080   125.57984  -163.79849
   83    75 S   CO4  _C8_    70     1.47660   121.82624   173.89793
   84    83 S   O    _O33    71     1.22871   120.03845   176.43817
   85    59 S   OS   _O35    59     1.43600   112.48280    85.55396
   86    83 S   CT   _C7_    72     1.49999   117.63796    -7.74005
   87    86 S   HC   _H12    73     1.09581   108.56380   156.09204
   88    86 S   HC   _H13    74     1.09442   108.86828   -86.54404
   89    86 S   CT   _C6_    75     1.52227   110.22719    36.64225
   90    89 S   HC   _H10    76     1.09722   107.44764    67.24175
   91    89 S   HC   _H11    77     1.09350   106.21270  -177.99377
   92    70 S   CT   _C5_    78     1.54524   117.51055   -50.32670
   93    92 S   CT   _C4_    82     1.55032   107.11704   -75.42878
   94    93 S   HC   _H7_    83     1.09495   111.57062  -169.66850
   95    93 S   HC   _H8_    84     1.09338   112.75261    69.25613
   96    93 S   HC   _H9_    85     1.09649   111.56696   -50.44413
  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  18   6   5  23  23  10   9   3   2   1  12
   6   5  18   7   9   4   3  13   8  15   9  12   5   4   5   1
   7   2   8   6   5  13   4   5   4   3   9   4   3   2   1   1
   2   1   8   4   1   7   5   4   7   3   2   4   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    92    58    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    59    51    52    56    70    89    92    58    63    64    93    44  
   38    39    40    41    51    92    58    63  
   36    37  
   37  
    0  
   39    40    41    42    43    48    53    59    67    85    51    92    58    63    44    45    46    47  
   40    41    42    59    58    44  
   41    42    59    58    44  
   42    43    48    49    50    53    54    55    59    67    68    69    72    81    85    51    52    56    58    44    45    46    47  
   43    48    49    50    53    54    55    59    67    85    51    52    56    57    60    92    58    63    65    44    45    46    47  
   48    49    50    53    59    51    52    56    58    44  
   45    46    47    48    51    53    59    67    85  
   46    47    59  
   47    59  
   59  
   49    50    53    54    55    59    67    85    51    52    56    58  
   50    53    54    55    59    51  
   53    54    55    59    51  
   52    56    57    60    61    62    70    89    92    58    63    64    93    65    66    71    53    59  
   56    57    60    92    58    63    65  
   54    55    59    67    68    69    72    81    85  
   55    59    67    85  
   59    67    85  
   57    60    61    62    70    75    92    58    63    65    66    71    77  
   60    61    62    70    58    65    66    71  
   63    64    93    94    95    96    65    60    70    75    86    89    90    91    92  
   67    68    69    72    73    74    81    82    85  
   61    62    70    75    76    83    89    92    93    65    66    71  
   62    70    75    92    65  
   70    75    92    65  
   64    93    70    89    92  
   92  
   66    71    77    78    79    80    70  
   71    77  
   68    69    72    73    74    81    82    85  
   69    72    73    74    81    85  
   72    73    74    81    85  
   75    76    83    84    86    89    90    91    92    93    94    95    96  
   77    78    79    80  
   73    74    81    82    85  
   74    81    82    85  
   81    82    85  
   76    83    84    86    87    88    89    92    93  
   83    84    86    92  
   78    79    80  
   79    80  
   80  
    0  
   82    85  
   85  
   84    86    87    88    89    90    91    92  
   86    87    88    89  
    0  
   87    88    89    90    91    92    93  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96  
   91    92    93  
   92    93  
   93    94    95    96  
   94    95    96  
   95    96  
   96  
    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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    59   268.000  1.529
   41    44   268.000  1.529
   42    43   340.000  1.090
   42    48   268.000  1.529
   42    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    67   268.000  1.529
   59    85   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   317.000  1.522
   81    82   570.000  1.229
   81    85   214.000  1.327
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    65   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.510
   70    75   549.000  1.340
   70    92   317.000  1.510
   75    76   340.000  1.080
   75    83   320.000  1.462
   83    84   570.000  1.229
   83    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    58   268.000  1.529
   92    93   268.000  1.529
   58    63   320.000  1.410
   63    64   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   65    66   570.000  1.229
   65    71   214.000  1.327
   71    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    51    58.35000  112.70000
   33    58    92    58.35000  112.70000
   33    58    63    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    59    58.35000  112.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    48    58.35000  112.70000
   41    42    51    58.35000  112.70000
   41    59    53    58.35000  112.70000
   41    59    67    58.35000  112.70000
   41    59    85    50.00000  109.50000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    53    58.35000  112.70000
   42    51    52    37.50000  110.70000
   42    51    56    58.35000  112.70000
   42    51    58    58.35000  112.70000
   48    42    43    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    59    67    58.35000  112.70000
   53    59    85    50.00000  109.50000
   55    53    54    33.00000  107.80000
   59    41    42    58.35000  112.70000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    72    58.35000  112.70000
   59    85    81    83.00000  116.90000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    81    63.00000  111.10000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    81    82    80.00000  120.40000
   72    81    85    81.00000  111.40000
   74    72    73    33.00000  107.80000
   81    72    73    35.00000  109.50000
   81    72    74    35.00000  109.50000
   85    59    67    50.00000  109.50000
   85    81    82    83.00000  123.40000
   51    42    43    37.50000  110.70000
   51    42    48    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    65    63.00000  111.10000
   51    58    92    58.35000  112.70000
   51    58    63    50.00000  109.50000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    70    70.00000  112.02700
   56    65    66    80.00000  120.40000
   56    65    71    81.00000  111.40000
   60    56    57    37.50000  110.70000
   60    70    75    70.00000  124.00000
   60    70    92    65.00000  117.92700
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    75    76    35.00000  120.00000
   70    75    83    65.00000  118.96000
   70    92    89    70.00000  112.02700
   70    92    58    70.00000  112.02700
   70    92    93    70.00000  112.02700
   75    83    84    80.00000  123.72100
   75    83    86    65.00000  118.62400
   83    75    76    40.00000  117.72500
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    63.00000  111.10000
   86    83    84    80.00000  120.40000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    58    58.35000  112.70000
   89    92    93    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    70    75    70.00000  124.00000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    58    63    50.00000  109.50000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    51    52    37.50000  110.70000
   58    51    56    58.35000  112.70000
   58    63    64    55.00000  108.50000
   93    92    58    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   65    56    57    35.00000  109.50000
   65    56    60    63.00000  111.10000
   65    71    77    83.00000  116.90000
   71    65    66    83.00000  123.40000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   44    41    42    58.35000  112.70000
   44    41    59    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    51   0.44750  1.0 1.0
   29    33    58    51  -0.17800 -1.0 2.0
   29    33    58    51   0.20200  1.0 3.0
   29    33    58    92   0.44750  1.0 1.0
   29    33    58    92  -0.17800 -1.0 2.0
   29    33    58    92   0.20200  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
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   44    41    42    51   0.56750  1.0 1.0
   44    41    42    51  -0.07550 -1.0 2.0
   44    41    42    51   0.20000  1.0 3.0
   44    41    59    53   0.56750  1.0 1.0
   44    41    59    53  -0.07550 -1.0 2.0
   44    41    59    53   0.20000  1.0 3.0
   44    41    59    67   0.56750  1.0 1.0
   44    41    59    67  -0.07550 -1.0 2.0
   44    41    59    67   0.20000  1.0 3.0
   44    41    59    85   0.62750  1.0 1.0
   44    41    59    85  -0.30950 -1.0 2.0
   44    41    59    85   0.27300  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
   72    85    81    82  10.50000 -1.0 2.0
   60    92    70    75   1.10000 -1.0 2.0
   83    76    75    70   1.10000 -1.0 2.0
   75    86    83    84  10.50000 -1.0 2.0
   56    71    65    66  10.50000 -1.0 2.0
END
