MDPI-ZINC03845741 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 29 0 0 1 0 0 0 0 0999 V2000 -0.5660 -2.5750 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -2.1250 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -2.7270 1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 -0.5780 0.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2070 -0.1630 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.0750 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 1.6140 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 2.2360 -2.2210 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4200 1.7200 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 2.1330 -2.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 3.7360 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 4.3990 -1.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -0.2460 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -0.5990 1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -3.6580 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.3550 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -2.0830 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -2.5590 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -2.3060 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -2.5440 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -3.8130 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -0.2290 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -0.2840 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 1.9760 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 1.9470 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 2.6240 -2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 1.0890 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 2.6090 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 4.1310 -3.6170 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1000 0.3190 2.2630 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 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 M CHG 1 29 -1 M CHG 1 30 -1 M END