CHEMBRIDGE-ZINC04114915 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 0.5050 -6.8720 2.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -6.5120 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 -5.5260 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -5.1670 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -4.2050 0.0270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 -4.5430 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -5.7750 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -5.7320 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -4.5120 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -3.2770 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -3.3370 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -2.8660 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -2.0920 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -0.7850 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.0400 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 1.2640 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.0160 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.4760 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.1880 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.5680 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -0.5430 -1.2110 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -5.9820 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -7.3370 3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -7.5790 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -7.4270 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -6.0790 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.6160 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -5.9570 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -6.0630 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -4.7390 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -6.7110 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 -6.6670 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -4.5330 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 -2.3340 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 -2.6380 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.1990 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 1.7070 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 3.0240 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 2.0680 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -1.5620 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -2.3370 -0.0060 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9390 -1.3470 0.0030 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 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 41 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END