MDPI-ZINC03845223 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 -0.1030 1.4040 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 0.0090 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.6960 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 0.0210 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 1.4240 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 2.1250 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 3.5910 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 4.3300 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 5.8570 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 6.3890 -0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3990 -0.6150 0.5180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.1640 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.9410 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -4.4670 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -4.9630 -0.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0080 1.9180 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -0.5290 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 1.9790 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 4.0770 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 3.8700 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -1.6250 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -0.0830 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -2.6030 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.5090 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 6.4000 0.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -5.0470 0.5760 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 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 12 1 0 0 0 0 4 5 2 0 0 0 0 4 11 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 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 25 2 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 26 2 0 0 0 0 M CHG 1 10 -1 M CHG 1 15 -1 M END