IFLAB-ZINC05258450 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.0400 1.5290 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.0010 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -0.5300 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -2.5440 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4380 -1.9010 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7770 -3.9520 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -3.8750 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.8000 2.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -5.0000 2.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -4.9400 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 -3.8360 4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -3.7800 6.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -4.8220 6.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -5.9240 5.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -5.9890 4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -7.4990 3.5580 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 -2.6060 -1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -2.2350 -2.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 1.9060 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.8910 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.8800 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.3510 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.3630 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.1800 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -0.1680 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 -4.3900 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -4.5710 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -5.8510 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -3.0210 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -2.9210 6.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -4.7760 7.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -6.7350 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -1.9990 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -2.3480 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -3.0750 -1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 -3.0950 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 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 28 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M END