MDPI-ZINC03851932 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.0720 -1.1220 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5890 1.1740 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 0.1190 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7370 0.3410 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -0.1130 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 1.3960 0.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2990 1.7930 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.8380 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 2.6570 -1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 -0.8600 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -2.0320 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -2.8530 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -2.4500 -2.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -1.3820 -2.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -3.4620 -2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2060 -3.0050 -3.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -3.9950 -3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -5.1180 -3.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5900 -5.6570 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2090 -4.9790 -4.6240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -3.7600 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -1.2240 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -0.3330 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -1.6760 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -2.6770 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -3.7430 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 -4.4150 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 -3.6180 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6600 -2.0540 -3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -2.8400 -4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9550 -6.6340 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9720 -2.8650 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9960 -3.6890 -5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 2 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 1 1 M END