IFLAB-ZINC05258474 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.5510 1.3430 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 3.2380 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 3.5930 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 5.0790 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 6.9100 3.8740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1850 7.4860 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 7.2790 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 6.7920 6.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 5.7460 5.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 7.5890 7.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 7.4160 8.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 6.3540 8.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 6.2320 9.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 7.1700 10.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 8.2350 10.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 8.3560 9.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 9.8350 9.4560 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 7.1480 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 6.0400 3.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.2850 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 1.4870 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 1.9310 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 3.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 3.3770 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 3.3380 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 2.9980 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 5.3460 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 5.6840 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 8.3670 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 6.8370 5.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 8.4060 7.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 5.5970 7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 5.4000 9.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 7.0710 11.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 8.9620 11.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 1.7960 0.4970 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9570 1.6170 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 1.2070 1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 5.4250 3.7310 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6010 5.0140 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 5.1110 4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 8.3270 2.8900 O 0 5 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 5 39 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 36 1 M CHG 1 39 1 M CHG 1 42 -1 M END