MDPI-ZINC04292615 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 0.0120 1.3290 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.0600 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.7180 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 0.0630 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 1.4590 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.0980 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6700 2.0910 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 1.1940 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -0.4420 -0.0460 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 1.5640 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9770 0.6750 -0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2820 1.0380 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2770 0.0430 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9740 -1.3250 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9870 -2.2860 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3230 -1.8890 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6650 -0.5300 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 0.4230 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1120 -0.0940 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3380 1.1570 -0.1200 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3990 2.9620 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 4.0810 -0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.8230 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -0.6450 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -1.8020 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.1820 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 2.0000 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -1.6540 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7350 -3.3420 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1080 -2.6430 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8960 1.4780 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9920 -1.0110 -0.1260 O 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 1 0 0 0 0 19 32 2 0 0 0 0 21 22 3 0 0 0 0 M CHG 1 20 -1 M END