MDPI-ZINC01612966 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7200 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1010 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7380 -0.0130 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0200 -2.0880 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7070 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.8630 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.1530 -0.0210 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8890 2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.2040 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1820 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -3.0640 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -2.2790 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -3.8060 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.0930 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -3.8300 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 -2.3130 3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 M CHG 1 5 1 M CHG 1 9 -1 M END