VL2
  CCTOOLS-0925261352

 64 71  0  0  0  0  0  0  0  0999 V2000
   16.4800    0.6300   18.6630 O   0  0  0  0  0
   19.8150    7.1430   12.5800 C   0  0  0  0  0
   20.6000    7.1390   11.4010 C   0  0  0  0  0
   21.6760    6.1410   11.0610 C   0  0  0  0  0
   20.2160    8.2530   10.6080 C   0  0  0  0  0
   20.8360    8.5920    9.2790 C   0  0  0  0  0
   19.1830    8.9500   11.3010 C   0  0  0  0  0
   18.4420   10.1940   10.8910 C   0  0  0  0  0
   19.9830    6.1210   13.6720 C   0  0  0  0  0
   18.9380    8.2650   12.5190 C   0  5  0  0  0
   17.9170    8.7020   13.5350 C   0  0  0  0  0
   18.4990    6.9420   10.8550 IR  0  0  0  0  0
   19.0080    5.1190    9.3770 CL  0  5  0  0  0
   17.0740    7.3940    9.3420 N   0  0  0  0  0
   17.2710    8.1460    8.2510 C   0  0  0  0  0
   16.2780    8.5800    7.4150 C   0  0  0  0  0
   15.8220    7.0160    9.6030 C   0  0  0  0  0
   13.8680    8.6190    6.8230 N   0  3  0  0  0
   14.1100    9.3230    5.8510 O   0  5  0  0  0
   12.7300    8.2580    7.0960 O   0  0  0  0  0
   14.9840    8.1910    7.6940 C   0  0  0  0  0
   14.7620    7.3960    8.8030 C   0  0  0  0  0
   15.2550    0.9500   18.0060 S   0  0  0  0  0
   15.5790    2.1970   16.7910 C   0  0  0  0  0
   14.1550    1.4010   18.7930 O   0  0  0  0  0
   14.5140    2.8090   16.1470 C   0  0  0  0  0
   14.7590    3.7830   15.1970 C   0  0  0  0  0
   16.8820    2.5590   16.4770 C   0  0  0  0  0
   17.1060    3.5370   15.5260 C   0  0  0  0  0
   16.7860    4.7510   12.4700 C   0  0  0  0  0
   16.3130    5.2390   13.8290 C   0  0  0  0  0
   14.7730   -0.3740   17.2450 N   0  0  0  0  0
   16.0550    4.1610   14.8600 C   0  0  0  0  0
   16.7380    5.8090   11.4640 N   0  5  0  0  0
   15.6170    6.1380   10.8120 C   0  0  0  0  0
   14.4870    5.7180   11.0950 O   0  0  0  0  0
   21.7820    6.0760   10.0990 H   0  0  0  0  0
   21.4380    5.2640   11.4000 H   0  0  0  0  0
   22.5160    6.4220   11.4570 H   0  0  0  0  0
   20.3310    9.2930    8.8400 H   0  0  0  0  0
   20.8390    7.8070    8.7080 H   0  0  0  0  0
   21.7490    8.8930    9.4150 H   0  0  0  0  0
   17.4840   10.0360   10.9300 H   0  0  0  0  0
   18.6790   10.4450    9.9850 H   0  0  0  0  0
   18.6710   10.9220   11.4910 H   0  0  0  0  0
   19.3780    6.3080   14.4050 H   0  0  0  0  0
   20.8950    6.1450   14.0040 H   0  0  0  0  0
   19.7930    5.2350   13.3220 H   0  0  0  0  0
   18.0550    9.6370   13.7610 H   0  0  0  0  0
   17.9980    8.1720   14.3430 H   0  0  0  0  0
   17.0250    8.5900   13.1690 H   0  0  0  0  0
   18.1500    8.4210    8.0600 H   0  0  0  0  0
   16.4910    9.1190    6.6770 H   0  0  0  0  0
   13.8920    7.1130    9.0230 H   0  0  0  0  0
   13.6340    2.5650   16.3560 H   0  0  0  0  0
   14.0290    4.1970   14.7640 H   0  0  0  0  0
   17.6050    2.1490   16.9070 H   0  0  0  0  0
   17.9940    3.7800   15.3170 H   0  0  0  0  0
   16.2220    4.0020   12.1800 H   0  0  0  0  0
   17.7040    4.4170   12.5440 H   0  0  0  0  0
   15.4920    5.7580   13.6980 H   0  0  0  0  0
   16.9840    5.8530   14.1830 H   0  0  0  0  0
   15.3360   -0.6560   16.6590 H   0  0  0  0  0
   13.9500   -0.3460   16.9980 H   0  0  0  0  0
  1 23  2  0  0  0
  2  3  2  0  0  0
  2  9  1  0  0  0
  2 10  1  0  0  0
  2 12  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 12  1  0  0  0
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  4 38  1  0  0  0
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  5  7  2  0  0  0
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  6 40  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
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  8 43  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
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 16 21  2  0  0  0
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 17 22  2  0  0  0
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 18 20  2  0  0  0
 18 21  1  0  0  0
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 23 25  2  0  0  0
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 32 63  1  0  0  0
 32 64  1  0  0  0
 34 35  1  0  0  0
 35 36  2  0  0  0
M  CHG  1  10  -1
M  CHG  1  13  -1
M  CHG  1  18   1
M  CHG  1  19  -1
M  CHG  1  34  -1
M  END
$$$$
