MDPI-ZINC04292657 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.3950 -0.3410 2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -0.8210 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -1.1600 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -0.8780 2.6220 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -0.3140 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -1.6760 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -1.7490 -1.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -2.2290 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -1.5190 -0.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.2400 -0.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 0.7920 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 2.1210 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 3.1750 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2880 2.9260 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 1.5950 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 0.5440 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0680 4.0630 1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7270 5.2420 1.3330 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3960 -3.6640 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -4.0500 1.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -4.4860 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 -5.7770 -0.7240 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 -4.0090 -1.9900 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 -4.5250 -0.7380 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -0.0280 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -0.9200 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 0.0120 4.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.0170 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 2.3570 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 4.2010 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 1.3740 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 -0.4750 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0090 3.7570 2.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 2 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 M CHG 1 18 -1 M END