B4AQK2 -OEChem-04022117033D 33 35 0 0 0 0 0 0 0999 V2000 -6.9673 -0.4782 -0.0070 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 -3.7728 -0.0224 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9168 3.1430 -1.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 3.2945 1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 -1.1328 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8662 0.1211 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.0967 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2714 0.1217 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 1.3146 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 0.0415 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 1.2805 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -2.2820 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3015 -0.0821 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 -1.0785 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2816 -2.2817 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 1.3583 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 2.6550 0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -0.1289 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0018 -0.1548 1.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3869 -0.2478 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 -0.2738 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0841 -0.3202 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 2.1947 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 -3.2310 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -1.0880 0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1843 1.1033 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9866 1.9534 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 1.9346 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4688 -0.0739 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 -0.1203 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9115 -0.2823 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9198 -0.3287 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 4.0431 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 3 17 1 0 0 0 0 3 33 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 12 1 0 0 0 0 8 14 2 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 2 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$