MDPI-ZINC04292512 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0360 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4350 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 1.9680 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 1.1580 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5090 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 1.5750 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.6680 -0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 1.0640 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3530 0.1020 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0280 -1.2500 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 -2.2020 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3550 -1.8140 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6860 -0.4670 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6860 0.4920 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9910 -0.0880 -0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 2.9660 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 4.0710 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9040 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 1.2180 -1.7560 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 2.0070 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 -1.5560 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7730 -3.2520 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1340 -2.5610 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9420 1.5420 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3610 0.0260 -1.0030 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 20 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 17 19 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 3 0 0 0 0 M END