MDPI-ZINC01596461 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 1.4050 -2.2380 3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.7960 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -2.4720 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3410 -1.5910 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 -1.0410 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -1.3620 3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 -1.2880 0.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1100 -0.2070 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 1.0330 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 2.0410 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9300 1.8540 -0.4380 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9870 0.6360 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 -0.4000 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -1.6970 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 -2.5330 -1.3220 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7460 2.7880 -0.7190 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6650 -2.4900 4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -3.4820 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -2.9120 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -0.3920 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -0.9330 4.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -2.0420 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 1.2490 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 3.0250 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 0.5740 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 -1.8470 -2.3550 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 19 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 2 0 0 0 0 M CHG 1 11 1 M CHG 1 15 -1 M CHG 1 16 -1 M END