MDPI-ZINC03846064 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 0.1080 1.4020 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.1160 -0.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5660 -0.5660 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.5790 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.7510 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -1.3680 1.3680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3460 -2.4270 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.5910 0.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1290 0.2760 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -1.3560 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -2.6150 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.2820 2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 -1.8500 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 -2.0130 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 1.7270 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 1.7210 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.9240 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -1.5490 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 0.1130 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -1.3930 3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 0.2220 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -0.2270 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -1.8180 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -1.2680 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8770 -2.8910 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -1.5530 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -1.9760 3.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -3.0650 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.6150 -2.2690 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