MDPI-ZINC03843335 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 0.3850 2.4690 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 1.1920 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 0.4030 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 0.0950 1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7310 -0.6080 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 1.3700 0.9840 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3730 2.0170 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 2.1590 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 0.9590 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 0.6980 1.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -0.5950 2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -0.2270 3.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -1.6730 2.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 -2.3090 3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 -1.9860 3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -0.6420 3.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 -0.0470 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 2.9950 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 3.1420 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 1.4420 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.5700 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.9760 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 -0.5330 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 1.5970 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 3.0970 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0650 -2.0180 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3340 -3.3860 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -2.6350 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -2.1280 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 0.9090 -0.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 1 30 -1 M END