MDPI-ZINC01661812 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 55 0 0 0 0 0 0 0 0999 V2000 2.4440 3.0530 -1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 1.8460 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 0.6880 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 0.7340 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 1.9540 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 3.1060 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -0.5040 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -1.6540 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -1.9430 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -3.1320 -2.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -4.0550 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -3.7900 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -2.5860 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -2.0530 1.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9420 -2.4920 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -0.8060 1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 0.0620 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -0.1160 3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 0.9840 4.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 1.3450 5.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 2.4550 6.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 3.2280 5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 2.8890 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 1.7620 3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 1.1840 2.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.5190 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2010 3.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -2.1470 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -3.1570 4.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -3.2330 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -2.2980 2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -1.2800 2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 3.9560 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 1.8120 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -0.2530 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 1.9970 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 4.0500 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -1.2290 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 -3.3540 -3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -4.9910 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 -4.5160 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 0.7490 5.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 2.7340 7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 4.1030 6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 3.4970 3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -2.0890 5.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 -3.8890 5.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -4.0260 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -2.3640 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.5490 1.8240 H 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 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 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 48 1 0 0 0 0 31 32 1 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 M END