MDPI-ZINC03845184 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.4540 1.5720 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 0.2230 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -0.7620 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 -0.3700 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7670 0.9860 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 1.9530 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 1.3830 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 2.4490 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 2.1250 -3.4700 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 3.8550 -1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6640 3.9830 -0.6260 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7670 -2.2230 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.9600 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -2.8550 -2.1390 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -3.8600 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 -4.3340 -0.7380 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.3140 2.3310 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.0570 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 -1.1340 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 3.0140 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 1.7290 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 0.5060 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -2.6900 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -2.3230 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8340 4.7550 -1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -4.0850 -2.9170 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 2 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 2 0 0 0 0 M CHG 1 11 -1 M CHG 1 16 -1 M END