IBS-ZINC06669680 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -1.2100 2.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -0.6480 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -0.2950 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.4090 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -0.8940 -3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -1.2630 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -1.1250 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -1.4950 0.1280 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6030 -0.6640 0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8690 -2.6310 0.5540 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.3080 -1.6920 -2.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -1.6410 -4.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 -1.0890 -4.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.7520 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 0.0760 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -0.1290 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.1630 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -0.5070 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END