MDPI-ZINC03845244 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 0.0430 1.4570 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 0.1020 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -0.6550 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -0.0570 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 1.2980 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 2.0610 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 3.4320 0.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.8710 -0.3410 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6080 -2.0050 0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.4060 -0.9250 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9870 -2.1340 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -2.8870 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -2.2840 1.8230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 2.0480 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -0.3680 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 1.7640 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 3.9630 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 3.8520 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.3470 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -2.4470 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -4.2270 0.7890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -4.6660 1.6500 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END