IBS-ZINC01769141 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 -9.6940 5.0990 6.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2920 6.1790 7.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 7.1670 7.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1110 7.0780 5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5130 5.9950 5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3110 5.0080 5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 5.9050 3.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9280 5.3300 3.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 4.7740 4.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 4.1940 4.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4510 4.1250 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 3.5130 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 3.4600 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 4.0060 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 4.6060 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 4.6730 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 5.3120 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 5.8050 1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 2.8670 1.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 2.8390 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 2.1460 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 2.8780 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 2.2440 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 0.8760 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 0.1430 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 0.7790 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 0.0070 0.0400 Br 0 0 0 0 0 0 0 0 0 0 0 0 -7.0290 8.4300 5.0870 Br 0 0 0 0 0 0 0 0 0 0 0 0 -10.3130 4.3290 7.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 6.2510 8.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1880 8.0090 7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6300 4.1660 5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5930 4.7960 5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 3.0840 3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 3.9540 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 5.0290 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 3.8590 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 2.2990 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 3.9460 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 2.8160 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -0.9250 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 0.2070 -0.2540 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 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 34 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END