MDPI-ZINC03844587 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0780 1.3080 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0710 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -0.6920 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 0.0710 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 1.4640 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 2.0670 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 2.3080 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 3.4110 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 4.2550 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2210 3.6510 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 4.4110 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 5.7900 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 6.4120 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 5.6490 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 6.5170 -0.0240 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 6.4010 -1.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 5.7770 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -0.7970 -0.1250 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7610 -0.0540 -1.1350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -0.6840 1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 1.7980 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.6630 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.7700 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 3.1430 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 1.9750 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 3.7440 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 2.5760 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 3.9200 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 6.3810 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 7.4900 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 7.8720 0.3760 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6390 -2.1510 -0.5290 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 M CHG 1 31 -1 M CHG 1 32 -1 M END