IFLAB-ZINC02721067 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.7070 3.7830 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 2.3470 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 1.2810 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.0890 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -1.2800 1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -2.1630 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -1.7090 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -0.3630 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 0.5540 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 1.9270 -0.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 2.5110 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 1.3120 3.5850 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 1.2070 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 1.2220 5.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 1.1370 5.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 1.1350 6.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 1.2030 7.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 1.0490 6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 1.9720 6.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3080 1.8860 6.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8740 0.8860 6.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 -0.0310 7.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6980 0.0410 7.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -0.9460 8.1700 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3340 -1.7470 8.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 -0.9560 7.9680 O 0 5 0 0 0 0 0 0 0 0 0 0 -8.3260 3.0340 5.3600 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 4.1940 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 4.3610 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 3.8320 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 -1.6410 2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -3.2230 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -2.4200 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -0.0190 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 2.0580 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 0.2820 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 0.3710 5.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 2.1470 5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6340 1.0830 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 2.7530 5.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9480 0.8230 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5180 -0.8080 8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END