IFLAB-ZINC04942278 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.1240 1.4040 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.0030 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -0.5230 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 0.4440 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 1.6650 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 2.9440 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 3.1830 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 4.5800 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 5.5520 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3210 4.6030 -0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 3.3800 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 3.0570 -0.3660 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 2.0950 -0.2030 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 5.9000 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3330 6.2970 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 7.6390 1.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3130 8.2090 0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -1.8710 -0.1260 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7600 -2.7510 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 -2.0610 -0.2520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6460 2.1560 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -0.5390 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 3.7960 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 5.8470 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 6.6540 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 6.3610 1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9650 5.5380 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 8.0160 2.6560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 13 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 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 28 -1 M END