* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    192    311     578
    1     0 S   NP   _N1_     1    28.74102    96.96938   -22.42775
    2     1 S   H    _HN1     2     1.02789   100.23950   -89.17007
    3     1 S   H    _H1_     3     1.02948    69.66133    16.75041
    4     1 S   H    _H2_     4     1.02828    43.09109   165.54620
    5     1 S   CT   _CA1     5     1.50094   144.83602   113.63515
    6     5 S   HC   _HA1     6     1.09581   105.18069    94.29255
    7     5 S   CO3  _C1_     7     1.53695   112.52568   -25.87001
    8     7 S   O2Z  _O11     8     1.26364   115.05563   -43.26801
    9     7 S   O2Z  _O12     9     1.26249   114.91444   135.93126
   10     5 S   CT   _CB1    10     1.53064   107.42887  -147.84682
   11    10 S   HC   HB11    11     1.09834   109.14632   -51.19973
   12    10 S   HC   HB12    12     1.09812   110.53626    65.33056
   13    10 S   CT   _CG1    13     1.53013   112.67580  -172.26523
   14    13 S   HC   HG11    14     1.09592   110.62327   -68.48876
   15    13 S   HC   HG12    15     1.09679   109.78056    50.75072
   16    13 S   C    _CD1    16     1.51806   112.17744   171.02552
   17    16 S   O    _OE1    17     1.22733   123.26469     7.59952
   18    16 S   N    _N2_    18     1.38660   111.69090  -172.17145
   19    18 S   H    _HN2    19     1.01572   118.93799     0.63087
   20    18 S   CT1  _CA2    20     1.46172   123.30580   175.38518
   21    20 S   HC   _HA2    21     1.09740   109.40007     1.97159
   22    20 S   C    _C2_    22     1.53589   108.32368  -113.32532
   23    22 S   O    _O2_    23     1.23053   122.34881  -146.88715
   24    20 S   CT   _CB2    32     1.53266   111.82501   124.15683
   25    24 S   HC   HB21    33     1.09589   110.25917    55.20671
   26    24 S   HC   HB22    34     1.09403   109.90209   174.15796
   27    22 S   N    _N3_    24     1.38353   113.64866    40.50112
   28    27 S   H    _HN3    25     1.01585   119.58543    -3.19990
   29    24 S   S    _SG2    35     1.82805   111.56641   -65.49501
   30    27 S   CT   _CA3    26     1.45285   123.23000   177.20397
   31    30 S   HC   HA31    27     1.09549   107.51658   -64.53900
   32    30 S   HC   HA32    28     1.09557   107.98021    51.90306
   33    29 S   CT   _C18    36     1.85881    99.65688  -176.86331
   34    33 S   HC   _H3_    37     1.09644   105.60955   -31.72104
   35    30 S   CO3  _C3_    29     1.52965   114.06744   173.90217
   36    35 S   O2Z  _O31    30     1.26377   116.06981    -0.38104
   37    35 S   O2Z  _O32    31     1.26426   114.41481   179.67195
   38    33 S   CT   _C9_    38     1.53137   106.81108    83.43535
   39    38 S   HC   _H33    39     1.09559   111.77229   -49.72233
   40    38 S   HC   _H34    40     1.09527   111.45147  -168.55401
   41    38 S   CO4  _C6_    41     1.50706   110.44294    71.44138
   42    41 S   O    _O25    42     1.22931   121.91647  -146.86960
   43    41 S   CM   _C4_    43     1.48298   118.12448    37.33496
   44    43 S   HC   _H32    44     1.08347   114.41674   168.60278
   45    43 S   CM   _C5_    45     1.34715   122.33472    -5.47615
   46    45 S   CT   _C14    46     1.53322   121.49696   167.98684
   47    46 S   HC   _H43    47     1.09909   106.43152  -106.68302
   48    46 S   CT   _C12    48     1.53227   112.11449   136.34396
   49    48 S   HC   _H39    49     1.09719   108.76896   175.40748
   50    48 S   HC   _H40    50     1.09836   109.81394   -68.45817
   51    46 S   CT   _C25    94     1.53720   116.16771    10.72857
   52    51 S   HC   _H54    95     1.09559   111.51953    60.05319
   53    51 S   HC   _H55    96     1.09530   111.32091   -61.46759
   54    51 S   HC   _H56    97     1.09592   110.71951   179.93744
   55    48 S   CT   _C16    51     1.53692   112.24951    54.54317
   56    55 S   HC   _H45    52     1.09355   108.00844    61.93512
   57    55 S   CT   _C15    53     1.53865   110.07171  -178.98722
   58    57 S   HC   _H44    54     1.10208   106.36853    60.48580
   59    55 S   CT   _C22    68     1.55706   109.51919   -58.67091
   60    59 S   F    _F30    69     1.38263   103.75812   -58.52658
   61    57 S   CT   _C10    55     1.52283   118.23980   -58.33750
   62    61 S   HC   _H35    56     1.09493   112.01661    77.29680
   63    61 S   HC   _H36    57     1.09585   111.55086   -43.27875
   64    33 S   CT   _C19    70     1.58941   116.62640  -151.42437
   65    61 S   CT   _C11    58     1.54026   104.37275  -162.57065
   66    65 S   HC   _H37    59     1.09514   108.65489   131.46781
   67    65 S   HC   _H38    60     1.09477   109.00365  -112.19133
   68    64 S   CT   _C26    71     1.56038   106.80111   168.81208
   69    68 S   HC   _H57    72     1.09439   111.98327   -43.12745
   70    68 S   HC   _H58    73     1.09321   112.86447  -164.61332
   71    68 S   HC   _H59    74     1.09703   111.81405    75.76351
   72    65 S   CT   _C20    61     1.56176   107.05901     9.36007
   73    57 S   CT   _C21    62     1.54675   113.85431   179.96044
   74    72 S   CO4  _C7_    81     1.54386   113.46290   141.97184
   75    74 S   O    _O26    82     1.23273   122.10142    -8.52021
   76    72 S   OS   _O29    87     1.44920   109.01861   -95.01876
   77    73 S   CT   _C13    63     1.54505   106.64671   -61.16150
   78    77 S   HC   _H41    64     1.09694   110.07006   -64.90364
   79    77 S   HC   _H42    65     1.09532   109.74717   177.98773
   80    73 S   CT   _C27    77     1.55391   112.97604    60.65349
   81    80 S   HC   _H60    78     1.09486   112.53836    69.13172
   82    80 S   HC   _H61    79     1.09153   113.23798   -51.13938
   83    80 S   HC   _H62    80     1.09558   110.73500  -171.26046
   84    74 S   CT   _C23    83     1.50951   118.18260   174.24803
   85    84 S   HC   _H48    84     1.09179   109.64370    88.63034
   86    84 S   HC   _H49    85     1.09175   111.17946   -33.01357
   87    84 S   HC   _H50    86     1.09389   109.10689  -151.76261
   88    76 S   CO4  _C8_    88     1.36306   120.39411   -68.38597
   89    88 S   O    _O27    89     1.22266   126.58829    -0.48698
   90    77 S   CT   _C17    66     1.54583   113.38444    55.53811
   91    90 S   HC   _H46    67     1.09490   106.36897  -170.90945
   92    88 S   CT   _C24    90     1.49742   109.29532  -179.96044
   93    92 S   HC   _H51    91     1.09290   109.89292   -59.42921
   94    92 S   HC   _H52    92     1.09363   109.46335  -178.56742
   95    92 S   HC   _H53    93     1.09222   109.48749    62.35808
   96    90 S   OH   _O28    75     1.41998   109.45805    74.54524
   97    96 S   HO   _H63    76     0.97253   107.87960    56.83416
  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  10   5   4   6   3   9   3  18  14   9  16
   6   5   5   2   1   1  18   8  22   9  15   6  11   6   5   8
  11   5   4   4   2   1   1  19  15   9   5   9  10   5   4   4
   2   1   1   3   2   1   1   5   4   3   2   3   2   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    59    64    68  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    55    90    59    60    64    68    69    70    71  
   38    39    40    41    45    59    64    68  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    59    64    68  
   40    41    42    43    64  
   41    42    43    64  
   42    43    44    45    46    64  
   43    44    45  
   44    45    46    47    48    59    64    68    51  
   45    46    64  
   46    47    48    49    50    55    90    59    60    64    68    69    70    71    51    52    53    54  
   47    48    49    50    55    56    57    59    64    68    51    52    53    54  
   48    49    50    55    64    51    52    53    54  
   49    50    55    56    57    58    61    73    90    59    60    64    51    52    53    54  
   50    55    56    57    59    51  
   55    56    57    59    51  
   52    53    54    55    64  
   53    54  
   54  
    0  
   56    57    58    61    62    63    65    72    73    77    90    91    59    60    64    68    96    80  
   57    58    61    73    90    59    60    64  
   58    61    62    63    65    66    67    72    73    77    78    79    90    59    60    64    80    81    82    83    74    76  
   61    62    63    65    72    73    77    59    80  
   60    64    68    69    70    71    96    97    61    73    77    78    79    90    91  
   64    68    96    77    90    91  
   62    63    65    66    67    72    73    77    80    74    76  
   63    65    66    67    72    73  
   65    66    67    72    73  
   68    69    70    71    96    77    90    91  
   66    67    72    73    77    80    74    75    84    76    88  
   67    72    73    74    76  
   72    73    74    76  
   69    70    71    90  
   70    71  
   71  
    0  
   73    77    78    79    90    80    81    82    83    74    75    84    85    86    87    76    88    89    92  
   77    78    79    90    91    96    80    81    82    83    74    75    84    76    88  
   75    84    85    86    87    76    88    77    80  
   84    85    86    87    76  
   88    89    92    93    94    95    77    80    84  
   78    79    90    91    96    97    80    81    82    83  
   79    90    91    96    80  
   90    91    96    80  
   81    82    83    90  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
   89    92    93    94    95  
   92    93    94    95  
   91    96    97  
   96    97  
   93    94    95  
   94    95  
   95  
    0  
   97  
    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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   268.000  1.529
   33    64   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    64   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    73   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.522
   72    76   320.000  1.410
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    90   268.000  1.529
   90    91   340.000  1.090
   90    59   268.000  1.529
   90    96   320.000  1.410
   59    60   367.000  1.332
   59    64   268.000  1.529
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   96    97   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    88   214.000  1.327
   88    89   570.000  1.229
   88    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    64    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    64    45    70.00000  112.02700
   33    64    59    58.35000  112.70000
   33    64    68    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    64    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    70.00000  112.02700
   45    46    51    70.00000  112.02700
   45    64    59    70.00000  112.02700
   45    64    68    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    58.35000  112.70000
   48    55    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    73    58.35000  112.70000
   55    59    90    58.35000  112.70000
   55    59    60    50.00000  109.50000
   55    59    64    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    65    58.35000  112.70000
   57    73    72    58.35000  112.70000
   57    73    77    58.35000  112.70000
   57    73    80    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    72    73    58.35000  112.70000
   65    72    74    63.00000  111.10000
   65    72    76    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    73    77    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    74    75    80.00000  120.40000
   72    74    84    70.00000  116.00000
   72    76    88    83.00000  116.90000
   73    57    58    37.50000  110.70000
   73    57    61    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    90    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    90    91    37.50000  110.70000
   77    90    59    58.35000  112.70000
   77    90    96    50.00000  109.50000
   79    77    78    33.00000  107.80000
   90    77    78    37.50000  110.70000
   90    77    79    37.50000  110.70000
   90    59    60    50.00000  109.50000
   90    59    64    58.35000  112.70000
   90    96    97    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   59    90    91    37.50000  110.70000
   59    64    68    58.35000  112.70000
   64    33    34    37.50000  110.70000
   64    33    38    58.35000  112.70000
   64    45    46    65.00000  117.92700
   64    59    60    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   96    90    91    35.00000  109.50000
   96    90    59    50.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    72    73    63.00000  111.10000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    35.00000  109.50000
   84    74    75    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    72    73    50.00000  109.50000
   76    72    74    90.00000  108.74100
   76    88    89    83.00000  123.40000
   76    88    92    81.00000  111.40000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    95    35.00000  109.50000
   92    88    89    80.00000  120.40000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    64    45   0.56750  1.0 1.0
   29    33    64    45  -0.07550 -1.0 2.0
   29    33    64    45   0.20000  1.0 3.0
   29    33    64    59   0.44750  1.0 1.0
   29    33    64    59  -0.17800 -1.0 2.0
   29    33    64    59   0.20200  1.0 3.0
   29    33    64    68   0.44750  1.0 1.0
   29    33    64    68  -0.17800 -1.0 2.0
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   89    88    92    94   0.00000  1.0 1.0
   89    88    92    95   0.00000  1.0 1.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    64    45    43   1.10000 -1.0 2.0
   72    84    74    75  10.50000 -1.0 2.0
   76    92    88    89  10.50000 -1.0 2.0
END
