IFLAB-ZINC04148346 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0150 1.3690 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0260 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.7270 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.0110 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4080 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.0920 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 2.3180 0.0900 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 3.5320 0.8090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 1.4020 0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 2.6820 -1.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.5010 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 4.8100 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 5.6060 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 5.0840 -3.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 3.7810 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 2.9890 -3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 3.2960 -5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 4.1710 -6.3790 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2100 5.8800 -4.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -2.2390 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -2.8000 -0.3220 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9660 1.8890 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 -0.5800 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -0.5210 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.1760 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8450 1.9030 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 5.2250 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 6.6220 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 1.9760 -3.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 5.3160 -5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 2.1230 -6.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -2.8400 -0.4690 O 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 31 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 32 2 0 0 0 0 M CHG 1 18 -1 M CHG 1 21 -1 M END