RDKit 3D 45 48 0 0 0 0 0 0 0 0999 V2000 -4.5145 -1.0030 -2.5668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8127 0.1417 -2.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 0.3427 -0.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 -0.5385 0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8043 -1.6586 -0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 -1.9086 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3352 -2.5664 0.7329 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.3503 -2.1999 1.3365 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7692 -3.6610 0.8390 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.6986 -0.0399 1.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8814 -0.6253 2.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 1.1425 1.2293 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 1.4172 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 2.3328 -0.6581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4315 1.9328 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 1.3831 2.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 1.7646 1.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6584 2.7831 1.8263 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 0.8286 0.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9812 1.1472 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 0.4412 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.3445 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9615 -0.9866 0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2332 -1.7142 1.8378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7996 -0.7091 -0.1822 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 -1.2722 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9253 -1.0454 -1.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5187 -0.1924 -2.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3032 0.3692 -2.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3548 0.1173 -1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 0.6721 -1.2443 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 -1.7934 -1.2788 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.6759 -1.1944 -3.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 0.8473 -2.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5601 -2.7926 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1139 1.9162 3.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 2.9688 1.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 0.2958 2.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7972 1.8152 3.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 0.8075 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1266 2.2292 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -0.5468 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 -1.9091 0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2123 -0.0090 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 1.0150 -3.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 7 9 1 0 4 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 2 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 27 32 1 0 6 1 1 0 13 3 1 0 31 21 1 0 30 25 1 0 1 33 1 0 2 34 1 0 6 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 20 40 1 0 20 41 1 0 22 42 1 0 26 43 1 0 28 44 1 0 29 45 1 0 M CHG 2 7 1 9 -1 M END