IFLAB-ZINC03865749 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 23 0 0 1 0 0 0 0 0999 V2000 -0.1150 1.2410 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.2760 -0.1830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4520 -0.6990 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.5550 1.0110 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4090 -0.3270 1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 0.3590 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 1.8680 0.1490 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 2.1830 -1.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 2.8300 1.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -1.9250 0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -2.5260 2.2260 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -3.9700 2.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -2.0650 1.9160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -0.8840 0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -0.8480 -1.1020 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -1.9030 -0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 0.5050 -1.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 1.5800 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 1.6330 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 0.5710 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -0.0560 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -1.9270 3.4260 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.1100 -2.3420 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 23 -1 M END