IBS-ZINC04550499 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 0 0 0 0 0 0999 V2000 -1.0080 1.7920 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 0.4380 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.4810 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -0.0430 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 1.3100 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 2.2280 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 3.7040 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 4.1720 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 3.3840 2.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.4660 1.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 5.8840 2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 4.7720 4.1960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 7.1780 3.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 7.6370 4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 8.5150 5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 8.9720 6.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 8.5590 7.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 7.6760 6.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 7.2210 5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 7.2320 7.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 7.6340 8.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 9.1350 8.7780 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 -2.1810 -0.2410 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 2.5090 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 0.0970 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.7600 -0.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 1.6520 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 3.8900 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 4.2470 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 6.0950 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 7.7910 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 8.8410 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 9.6540 6.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 6.5420 4.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 6.3810 7.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 6.1190 7.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 35 36 1 0 0 0 0 M END