IBS-ZINC04870473 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 1.3000 -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 10.8220 -0.7330 -0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 -1.7750 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0600 -1.6040 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0230 -2.6340 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2100 -2.0910 -0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0790 -0.6980 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8090 -0.0580 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7510 -0.3950 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1580 0.9570 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6660 1.9420 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1080 3.2030 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0440 3.4940 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5360 2.5200 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0900 1.2570 -0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5010 4.7300 -0.1110 F 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 11.1700 -2.7660 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8140 -3.6930 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4940 1.7160 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4990 3.9650 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7080 2.7520 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6970 0.5010 -1.6390 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 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 33 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 34 1 0 0 0 0 11 35 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 36 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END