IBS-ZINC05072363 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -4.0250 8.0600 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 6.7460 -1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 5.9130 -1.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 4.4530 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 4.8750 -2.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 5.0900 -1.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6010 6.2850 -1.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 3.4650 -3.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 2.2460 -2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9880 1.4590 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 1.5150 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 0.7220 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 0.7670 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 1.5980 0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 2.3910 0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 2.3650 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 3.0980 0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 4.3640 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 2.0250 -2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 0.8410 -2.9310 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.9530 8.2690 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 8.8580 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 8.0860 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 0.7170 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 0.0740 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 0.1530 -1.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 1.6280 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 3.0110 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 4.2490 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 4.9090 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 4.9590 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 3.0860 -2.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 2 0 0 0 0 M CHG 1 20 -1 M END