MDPI-ZINC03844067 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 0 0 0 0 0999 V2000 -0.1360 1.6000 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.0730 -0.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0170 -0.3540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -0.4730 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -0.5660 2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -1.0330 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 -1.4180 3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -1.3330 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -0.8580 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -0.8490 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -0.0640 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -0.3600 -1.3640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5280 -1.4520 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 0.2150 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 0.8500 -3.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -1.8930 4.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.0020 5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 2.0930 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.0360 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 1.8630 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.2700 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -1.0810 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8200 -1.6470 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -0.4350 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -1.8910 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 1.0100 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -0.3260 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -1.0220 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -2.7090 5.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0460 -2.3930 6.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -0.0330 -2.5720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 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 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 M CHG 1 31 -1 M END