IFLAB-ZINC04032756 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 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 0.0230 -0.6880 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0860 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8500 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -4.2040 2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -4.8520 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.0700 1.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.1590 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.6360 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7800 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0630 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6850 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0890 -2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -5.0200 3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -5.4210 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -6.2150 5.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -6.6810 5.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 -6.4430 5.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 -7.4810 6.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -7.7560 7.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -8.5040 8.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -8.9820 9.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -8.7140 8.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -7.9610 7.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -7.5890 6.6960 Br 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 0.0250 -0.1500 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -2.3460 3.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.5840 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2900 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -0.4940 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0320 -2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -5.9160 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -4.4280 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -4.5250 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -6.0130 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -6.4040 5.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -7.3850 7.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -8.7170 9.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 -9.5660 10.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -9.0900 9.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 13 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 M END