MDPI-ZINC03846061 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.6550 1.0820 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.1240 -0.1560 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3720 -0.9950 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.0090 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -0.8620 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -1.4540 -0.8000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5930 -2.3970 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -0.4680 -1.3970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4750 -0.9970 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 0.7860 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 1.3920 -1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -1.7920 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -2.7910 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -2.3660 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 2.0130 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 0.9610 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 1.1960 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 1.0470 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.3180 1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -0.2510 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -1.6550 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -0.8830 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1380 -3.0440 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6850 -2.3760 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -3.7200 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -1.6430 -3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -2.6320 -3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -3.2690 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 1.0620 -3.2000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 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 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M CHG 1 29 -1 M END