IFLAB-ZINC04497781 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0160 1.3770 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0240 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4050 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.4860 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 4.3270 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 5.7270 0.5140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4310 6.5110 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 5.7020 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 4.2320 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 3.7910 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 5.8890 1.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 7.3630 2.6360 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 7.2020 4.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 7.8230 1.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 8.4700 2.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 8.6070 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 9.4760 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 10.2080 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 10.0710 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 9.2060 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 11.1370 1.0440 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.1610 11.2570 1.7500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 11.7820 0.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.4170 -0.0230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9040 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 -0.5070 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 1.9540 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 3.9360 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.3760 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 6.2340 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 6.1370 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 5.1320 2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 8.0350 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 9.5820 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 10.6430 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 9.1020 0.3800 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 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 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 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 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 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 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 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 39 1 0 0 0 0 23 40 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