MDPI-ZINC03845292 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 2.1820 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.4990 -1.7320 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 3.3870 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 3.6150 -0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 3.8390 -2.5190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.7810 -1.7300 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.5200 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -4.9830 -0.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -5.3900 -2.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5340 3.1300 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 1.6010 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8980 4.1040 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 3.6700 -3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 4.3280 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.5390 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -2.5640 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -5.9410 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -5.0450 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -6.3470 -2.3590 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 2 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END