IBS-ZINC02209184 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.4510 1.2800 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -0.0740 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -0.5290 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 0.3940 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 1.7440 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 2.1870 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 2.7230 0.7160 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6820 2.3350 1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4620 3.9160 0.5720 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1620 -1.9720 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.8350 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.2840 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -5.0600 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 -4.7540 0.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -6.1010 0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 -2.3480 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -2.7160 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -3.5570 -1.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 -2.1020 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 -2.3910 -2.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -1.6670 -1.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -0.8160 -0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -0.8840 -0.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 1.6330 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.7810 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 0.0500 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 3.2460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 -2.3420 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 -4.1360 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -6.5410 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 -6.3000 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.7450 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -3.1140 -2.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2270 -1.7780 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 -0.1750 -0.7070 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 10 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 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END