MDPI-ZINC04292615 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 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 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 1.1580 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5090 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 1.5750 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.6680 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 1.0640 -0.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3540 0.1020 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 -1.2510 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -2.2070 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3510 -1.8280 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6900 -0.4740 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6840 0.4930 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1100 -0.0660 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4030 1.1130 -0.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 2.9660 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 4.0710 -0.0420 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 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.1760 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 2.0070 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9900 -1.5540 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7630 -3.2560 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1270 -2.5790 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 1.5420 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 -1.0010 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9940 -0.6850 -0.1470 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 21 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 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 21 22 3 0 0 0 0 32 33 1 0 0 0 0 M END