MDPI-ZINC04266066 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.2480 1.7500 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 0.3980 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 -0.5110 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -0.0460 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 1.3060 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 2.2140 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 3.6640 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 4.5010 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 4.0250 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9580 -1.0080 -0.2040 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1940 -1.8430 0.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -0.9640 -1.2170 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3040 -1.9600 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -2.8040 0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -4.1950 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.4520 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4830 0.0380 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 1.6650 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 4.0260 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 4.7240 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -2.3170 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -4.7460 -0.0500 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 16 1 0 0 0 0 2 3 2 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END