BRB87Q -OEChem-04022110593D 39 41 0 0 0 0 0 0 0999 V2000 -1.3734 3.1669 -0.8981 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 -0.4146 2.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 0.0629 2.7927 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9025 1.8197 -0.9924 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 -2.2242 0.2436 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -0.2117 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2473 0.1383 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7529 -1.7019 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3351 -0.2663 -0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8467 -2.0988 -1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2354 -1.7422 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 0.1957 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 1.0754 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1014 0.9514 2.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 1.9076 -0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0109 0.9760 -0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 1.4188 -1.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8103 -0.2968 -0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 0.5888 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -1.1268 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1948 -0.6841 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3136 -1.5340 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6910 0.3550 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3175 1.2150 0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4272 -0.3670 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 -2.3225 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 -1.9201 -0.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2485 0.3470 -1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3214 -0.0615 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 -3.1756 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6745 -1.5909 -2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4631 -2.3575 -0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9875 -1.9810 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7636 1.4674 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 2.5941 -1.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4730 2.4088 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 -0.7244 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3969 0.9482 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7291 -2.1236 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 35 1 0 0 0 0 5 22 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 M END $$$$