MDPI-ZINC03844717 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.1370 1.9010 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 0.5500 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -0.2620 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.6660 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -2.4480 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -1.8930 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -0.5140 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 0.3390 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 1.7290 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 2.4890 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 2.3710 -0.2640 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9320 3.1140 0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 2.1550 -1.2060 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5500 0.0280 -0.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -0.7370 -0.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8400 -0.2000 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 -1.0320 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2260 -0.4820 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 0.8890 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2760 1.7190 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 1.1840 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 1.5820 -0.3250 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8610 2.8470 0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8500 0.5560 0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -2.2630 -0.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 2.5240 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 0.1060 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -3.5200 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -2.5340 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 3.5620 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8420 -2.1020 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 -1.1230 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 2.7880 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 1.8330 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -1.7170 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -3.2270 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4480 1.8630 -1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3330 2.2490 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 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 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END