CHEMDIV-ZINC04678171 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 3.8390 3.1150 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.6730 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 1.0180 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -0.3240 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 0.7530 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9120 1.0340 -0.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 -0.1240 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1490 0.3650 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 0.6010 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8070 1.0790 -2.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7310 1.3310 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3480 1.1200 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0690 0.6400 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3650 1.9730 -2.0100 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9540 0.7710 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 1.6110 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.4890 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 3.0610 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 2.7550 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 1.8830 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.3110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 3.5270 1.9320 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 3.5060 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 3.3290 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 3.6020 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 -1.2170 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2480 1.9870 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7910 -0.7370 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -0.7300 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8300 0.4170 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0660 1.2650 -3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0450 1.3240 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8040 0.4840 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0100 0.9650 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8580 -0.2480 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3970 0.8620 -4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 2.7310 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 3.7380 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 1.6440 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 0.6400 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -0.4490 -0.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5380 -1.3360 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 26 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 41 2 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END