MDPI-ZINC03847516 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3090 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.0360 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -0.6380 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 0.1550 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 1.5090 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.0920 0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 1.9870 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 0.9300 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -0.1650 -0.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -1.0650 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0210 0.9580 -0.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4960 0.5530 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5540 3.5690 -0.4620 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2950 3.7290 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3040 3.3330 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 4.8080 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 4.4920 0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4980 0.1330 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 0.8480 -2.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.7600 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.6260 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -1.6820 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 3.1400 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 4.1070 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 3.4120 1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5200 2.3850 -0.4400 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2400 2.6710 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 2.3330 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 5.9090 0.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1180 -1.0670 -1.6350 O 0 5 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 29 -1 M CHG 1 30 -1 M END