IBS-ZINC05346226 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 1.2110 1.8070 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 0.5000 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -0.3700 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 0.4040 -0.8450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 1.8930 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -1.7380 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.3080 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -3.7410 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -4.4900 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -4.0790 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -3.1020 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -3.2020 0.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -1.6070 0.7030 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -5.4120 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -5.4750 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -4.5130 -2.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 -6.7220 -2.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3470 -7.2090 -3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -6.4390 -4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 -6.9920 -5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 -8.3100 -5.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -9.0930 -4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 -8.5530 -3.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7220 -9.4040 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 -8.8310 -0.9820 O 0 5 0 0 0 0 0 0 0 0 0 0 7.8910 -8.8100 -6.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 2.6400 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 0.2220 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 2.7570 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -2.3510 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -5.6550 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -6.1460 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 -7.4630 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -5.4090 -4.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0070 -6.3920 -6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -10.1240 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1540 -9.7320 -6.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -10.5980 -2.0830 O 0 0 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 30 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 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 2 0 0 0 0 26 37 1 0 0 0 0 M CHG 1 25 -1 M END