IBS-ZINC05453992 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 0.8190 0.0780 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -1.2630 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 -1.1190 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -1.4510 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -1.3190 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -0.8540 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 -0.5200 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.6460 -1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.3040 -2.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -0.5250 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.9440 -3.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 -0.2500 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -0.6430 -6.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -0.2410 -7.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.2050 -7.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -0.6630 -9.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 0.4120 -8.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 0.0610 -9.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.3530 -8.9120 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 0.1750 -11.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 0.6350 -11.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 0.9640 -10.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 0.8480 -9.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 0.7970 -13.1170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -0.0270 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.8300 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.3850 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -1.5700 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -2.0160 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -1.8140 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -1.5790 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -0.7520 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -0.1580 -1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 0.0930 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 0.8020 -4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.8680 -4.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -0.0880 -11.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 1.3220 -10.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M END