MDPI-ZINC04701127 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 1.4940 3.0090 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 1.7520 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 0.6140 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.7210 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 1.9910 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 3.1290 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.4660 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -0.7260 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 0.1140 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 0.2580 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 1.0330 -4.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 1.6640 -4.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 1.5210 -4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 0.7500 -3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 0.6420 -2.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 -1.4680 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -1.8820 1.0650 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9360 3.8940 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 1.6530 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -0.3640 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 2.0960 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 4.1070 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -1.6230 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -0.2340 -2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 1.1440 -4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 2.2690 -5.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 2.0230 -4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 0.1230 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 1.0730 -3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -1.7840 1.9510 O 0 0 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 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 23 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 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 2 0 0 0 0 M CHG 1 17 -1 M END