MDPI-ZINC03845362 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.2350 1.4650 -0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.0580 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -0.6160 0.6710 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1440 -0.4740 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.0760 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.1380 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -0.5320 -1.6320 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0840 -2.0220 -1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -2.9410 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -2.0930 0.2280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7590 -2.5020 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.9310 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -3.3660 -0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -3.2220 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -4.0000 2.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -4.2680 3.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -3.7700 4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -3.0000 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -2.7280 2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -0.1990 -3.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -0.7410 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 1.9160 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 1.8080 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 1.7580 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 1.0800 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -0.5200 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 1.1740 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -0.4310 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -4.3880 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -4.8680 3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -3.9830 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -2.6150 5.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -2.1310 2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 0.8820 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -0.5750 -3.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.6670 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -0.1560 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -1.7410 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -0.8120 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END