BH9I1E -OEChem-04042104173D 40 42 0 0 0 0 0 0 0999 V2000 -1.9482 -3.2545 -0.1282 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 3.8499 -0.7284 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4385 -4.4232 0.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 -3.3281 -0.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 2.6017 0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5677 0.4628 0.3815 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9884 -1.9414 0.9833 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1057 0.3195 -0.0675 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 0.4221 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 1.5745 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 -0.7476 0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 1.6094 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 2.8184 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0717 1.5567 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 -0.7666 0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 2.7676 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 0.3815 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 1.5783 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -2.7010 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -0.0750 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4594 0.8541 0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 -1.3925 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7992 0.4660 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 -1.7808 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1453 -0.8517 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 -0.3418 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 2.4404 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6279 -1.6666 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1331 -1.7899 1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1164 3.6701 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 0.3608 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2501 -2.5334 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9813 -1.7905 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4865 -3.4884 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4611 -0.4181 -0.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 1.8902 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 -2.1266 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5738 1.1886 0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4213 -2.8067 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1884 -1.1541 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 29 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$