MDPI-ZINC03852651 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 1 0 0 0 0 0999 V2000 -0.0430 1.0380 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -0.3350 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.7730 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -2.0060 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -1.8480 -0.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -0.4950 -0.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.1900 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 1.5250 0.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.8950 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 0.0800 -0.5560 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8040 1.1660 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4630 -0.3390 -1.9490 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6330 -0.7030 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3510 -1.5320 -1.5530 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1910 -1.7210 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -1.1660 -0.1520 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6940 -0.4820 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7780 -0.4170 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1820 -2.3490 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 -1.8570 2.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9520 -1.1540 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.7400 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 -2.5300 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2300 0.6340 -2.4290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4990 -3.2030 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 1.4310 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -1.0350 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 2.9690 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 -2.9910 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9940 -2.9490 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -3.3360 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -4.0420 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 M CHG 1 24 -1 M END