MDPI-ZINC03846993 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 0.7830 -0.6320 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 0.0880 0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0430 1.5380 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 2.6570 -0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.1980 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 0.2910 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 0.0290 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -0.7210 3.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -1.2090 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -0.9440 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.4100 -0.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0900 -0.0460 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -1.8720 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -3.0000 0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 0.2380 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6710 -0.1570 1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 0.4380 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 1.4270 3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 1.8220 2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 1.2250 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -0.2550 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -1.7030 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -0.4510 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.8780 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 0.4110 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7990 -0.9260 4.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.7960 4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -1.3220 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -0.4900 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -0.4280 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 1.0380 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -0.9310 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4610 0.1290 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 1.8920 3.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 2.5960 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 1.5300 1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 4 3 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 3 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 M END