IBS-ZINC02398200 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0970 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.9590 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 1.1470 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5190 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 1.6360 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1290 0.0110 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6260 0.1860 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 1.2990 -0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 -0.8950 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7930 -0.7360 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4290 0.4100 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7350 0.4810 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3540 1.5270 -0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3900 -0.8860 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9530 -2.0100 -0.1120 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.1770 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -0.5460 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -0.5370 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 -1.7860 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9840 -1.0220 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -1.0320 0.7660 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 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 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 27 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 M END