CHEMDIV-ZINC00120363 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 0.0900 1.4920 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0320 -0.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 -0.5120 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.5100 1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -1.8500 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -2.7440 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -1.8560 0.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3430 -2.6690 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.5000 0.2080 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9770 0.2080 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -0.6790 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5700 -0.9920 -0.8890 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2110 -0.3340 -0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -1.9080 -1.4880 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3700 -2.0180 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -3.3850 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -4.1510 2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 1.8040 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.8050 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 1.9500 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -0.6330 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 0.1940 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.2410 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -1.4960 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -1.2560 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -1.9070 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -3.7510 3.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -4.6370 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END