PUBCHEM-ZINC02973730 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2140 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 0.0560 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 1.4480 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 2.1000 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 3.9900 0.0130 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -0.6910 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 -0.1060 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 -2.0410 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -2.6940 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -4.4060 -0.0430 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -2.0620 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -2.5800 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -2.8060 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -3.0800 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6380 -3.8800 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 -4.1490 2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4170 -3.7420 3.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2120 -4.8430 3.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -5.1190 4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 -6.6180 4.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 -7.0080 3.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 -6.8360 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0290 -5.3520 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.8990 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 2.0130 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -3.7520 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -2.2350 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4940 -2.1340 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -3.6520 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -4.8260 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -3.3080 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5680 -4.5480 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 -4.8420 5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 -6.8210 5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -7.1800 4.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0290 -7.1960 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -7.3990 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 -5.2300 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9710 -4.8050 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 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 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 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 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END