IFLAB-ZINC04279516 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.1160 1.3610 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.1290 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -0.5750 -1.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6740 -0.1860 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.1060 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -2.4800 -1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -3.4550 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.2410 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 0.4850 -4.8500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3650 1.4140 -4.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 0.5260 -6.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 0.8320 -7.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 0.9830 -8.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 1.3760 -9.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 1.5680 -10.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 1.3630 -11.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 0.9680 -9.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 0.7760 -8.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.6230 -12.7590 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -0.5830 -4.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -0.5040 -5.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 1.6470 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.9730 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.6070 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -0.6740 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.3870 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -2.4330 -1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -2.6120 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.6520 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 1.1040 -3.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 1.3010 -5.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5650 -0.4560 -6.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 1.5380 -9.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 1.8760 -11.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 0.8050 -10.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 0.4640 -7.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.0270 -2.4650 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5790 -0.7760 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 0.7840 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 37 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M CHG 1 37 1 M END