MDPI-ZINC03846917 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 0.0980 1.2030 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 0.1400 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -0.4920 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -0.0580 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 1.0140 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 1.6380 1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 -0.7330 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9560 0.0210 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -0.6440 -0.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9410 -0.1560 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1300 -1.9920 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 -2.8500 -0.6620 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0070 -2.6630 -0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 -2.0600 0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 1.3880 -0.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 2.1470 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 1.5160 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4410 2.2680 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 3.6490 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 4.2810 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 3.5350 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 4.3290 -0.5160 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 1.6970 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.1960 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -1.3220 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 1.3550 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 2.4690 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 1.8300 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 0.4370 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1360 1.7780 2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 4.2350 2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 5.3600 1.3670 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 M END