MDPI-ZINC02002143 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 0 0 0 0 0 0 0 0999 V2000 0.0240 0.9420 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 1.0490 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.8760 3.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 1.9830 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 2.3930 4.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0470 2.5270 4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 2.2650 3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 1.8680 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 1.7360 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 1.2770 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 2.9220 6.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -0.1450 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0780 1.2340 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 1.3590 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 1.1760 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -0.0170 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 1.4250 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 2.8910 3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 2.6090 5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 2.3640 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 1.6630 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 0.1990 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 1.8150 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 2.9730 5.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.5250 1.1930 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4970 2.5450 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 25 1 0 0 0 0 11 24 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 25 1 M END