RDKit 3D 40 41 0 0 0 0 0 0 0 0999 V2000 -4.7072 0.8767 -1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2145 1.1429 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5235 -0.0014 -0.2465 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8056 0.0316 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5678 -1.2209 1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0091 -0.0516 -0.5970 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3692 -1.3611 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9622 -1.4610 -0.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7794 -0.4175 -0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1697 -0.6440 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0475 0.3961 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.6528 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 1.8746 0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 0.8408 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1844 1.0775 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 2.1300 0.3773 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5927 3.1321 0.9538 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5447 0.1868 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 -1.9917 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9085 -0.0819 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1889 1.6629 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1820 0.8657 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7903 1.1861 -1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0052 2.0794 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -0.8619 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 0.9318 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 0.0848 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -2.1228 1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5231 -1.2896 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -1.2116 2.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 0.0253 -1.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3405 -1.4707 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 -2.2132 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 2.8524 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0111 0.6933 -0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 -0.8681 0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9715 0.5673 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 -2.5193 0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 -2.6321 -1.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 -1.8706 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 12 17 1 0 11 18 1 0 10 19 1 0 15 6 1 0 14 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 5 30 1 0 6 31 1 6 7 32 1 0 7 33 1 0 13 34 1 0 18 35 1 0 18 36 1 0 18 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 M CHG 1 3 1 M END