IBS-ZINC05271767 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -0.6900 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 0.0250 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4180 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6550 2.1830 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 1.5980 -0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -2.1650 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.9840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -4.2990 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -4.2360 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -2.9360 -0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 -5.3360 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -5.1300 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.7980 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 -2.7410 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -6.2780 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -7.8700 -0.0780 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 -6.0780 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9010 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 3.1690 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -2.6660 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -5.1940 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 -6.3400 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -5.1760 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -6.8370 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 3.5300 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4790 3.9870 -0.0190 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 18 1 0 0 0 0 16 17 3 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 28 1 0 0 0 0 20 29 1 0 0 0 0 30 31 1 0 0 0 0 M END