B3EYN4 -OEChem-04022102243D 37 40 0 0 0 0 0 0 0999 V2000 -7.4224 0.7944 0.1042 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.6492 -2.4721 0.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 -0.1172 -0.0921 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -0.8261 0.0729 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8299 0.8501 -0.1249 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6819 -2.1635 0.1757 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -0.4250 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -1.5664 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -1.4721 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4715 0.9673 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8097 0.0968 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 -2.6107 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -0.0060 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9986 2.3665 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 0.3080 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 0.0906 -1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 1.2850 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8593 -0.4906 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8098 0.5167 1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9210 0.2994 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7171 2.1054 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 0.3295 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5546 0.5125 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 1.6275 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 -3.6739 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6578 2.6668 0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 2.3876 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1751 3.0834 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 0.3134 2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0567 -0.0742 -2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 1.6874 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9432 -1.4931 -0.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2881 0.6813 2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4867 0.2930 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 3.1112 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -0.0415 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7953 2.2651 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 16 30 1 0 0 0 0 17 21 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$