MDPI-ZINC00391159 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6840 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0920 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7820 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0620 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6850 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0910 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1610 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.8340 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -6.1540 1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -6.7960 2.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -8.0140 2.3160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -6.1860 3.5280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -6.7220 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -4.8360 3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -4.2800 4.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.0670 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7580 2.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.8860 -1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.1430 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5820 -2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2920 -2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -0.4920 -3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0340 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -5.0520 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -5.8460 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -4.3000 -2.1020 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 M END