MDPI-ZINC03843449 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 0.0430 1.3020 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -1.9080 0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -2.5520 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -1.9280 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -0.6560 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -0.0110 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8890 -2.5810 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -1.8410 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2630 -2.3490 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4260 -1.6150 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4020 -0.3750 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 0.1350 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -0.5970 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6510 0.4100 0.5210 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6980 -0.0380 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 1.5020 1.0590 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0590 1.6920 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.2470 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 1.9620 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -2.3930 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6180 -3.5420 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 -0.1700 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2330 0.9790 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9290 -3.5470 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 -3.3180 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3550 -2.0100 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1990 1.1040 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -0.2010 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END