MDPI-ZINC04235646 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 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 2.1200 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 1.9780 -0.1320 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 -0.4940 -0.3020 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 1.5720 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 2.8440 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 4.5340 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 4.9230 0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4860 6.2650 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4380 7.1670 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 6.7670 0.7230 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9020 5.5020 0.5040 C 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 7.4360 -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 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5140 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7220 -0.5410 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 8.2850 2.5250 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0210 4.1960 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4990 6.6020 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6390 8.2140 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 5.2130 0.3400 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 8.4650 -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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 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 25 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 19 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 26 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 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 M END