MDPI-ZINC04292634 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 36 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.4160 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.0320 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.6450 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 0.0580 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 1.4540 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 2.1190 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 1.9780 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 1.1650 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -0.4950 -0.3020 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 1.5720 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 2.8450 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5830 3.1940 0.2620 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 4.5350 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 4.9120 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5340 6.2380 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 7.1940 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 6.8190 0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 5.4950 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8370 8.5000 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1070 0.5550 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 -0.0080 0.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7160 0.2450 -1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.9400 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5140 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7220 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 3.1960 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 2.5250 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0040 4.1680 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5610 6.5310 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 7.5640 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 5.2040 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0270 9.0000 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 0.6400 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 -0.3720 -1.2360 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 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 M END