RDKit 3D 44 47 0 0 0 0 0 0 0 0999 V2000 -2.4332 -4.0612 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 -2.9912 0.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2914 -3.3224 1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7554 -2.5043 1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 -1.1930 1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 -0.6151 1.0289 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2517 0.6610 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4407 1.6494 -0.0056 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2008 1.6145 0.5533 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7072 0.5912 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -0.7288 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5039 -1.7607 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0324 1.0826 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0839 1.2472 0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 1.7185 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5188 2.0324 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4725 1.8802 -1.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 1.4080 -1.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8254 2.5258 -1.4727 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.7211 2.6435 -0.6258 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9490 2.7900 -2.6761 O 0 0 0 0 0 1 0 0 0 0 0 0 3.6359 0.7228 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -0.4275 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5976 -0.3306 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 0.9080 -1.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 2.0566 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 1.9666 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9969 1.0292 -2.0378 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 -3.7165 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9764 -4.9376 0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 -4.3721 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3244 -4.2789 2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.8052 2.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7748 -1.0411 1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2687 2.5284 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 -1.5193 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9454 1.0098 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1322 1.8365 1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 2.1254 -2.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 1.2985 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8155 -1.4033 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -1.2210 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0781 3.0258 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7846 2.8778 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 10 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 16 19 1 0 19 20 2 0 19 21 1 0 7 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 25 28 1 0 12 2 2 0 11 5 1 0 18 13 1 0 27 22 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 6 34 1 0 9 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 23 41 1 0 24 42 1 0 26 43 1 0 27 44 1 0 M CHG 3 6 1 19 1 21 -1 M END