BP89LF -OEChem-04042107153D 31 33 0 1 0 0 0 0 0999 V2000 -6.4815 -0.1568 -0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7852 2.1451 -0.4025 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7089 -1.0349 -0.0917 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5591 0.8768 0.1545 N 0 0 2 0 0 0 0 0 0 0 0 0 -5.7551 -1.3968 -0.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.2021 0.0294 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4949 0.5168 0.0469 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2925 0.3975 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4990 -1.0608 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 0.0265 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0617 0.9160 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3305 -1.9618 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 -1.4208 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6636 0.5370 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 0.6632 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 1.4790 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 -0.7234 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4673 -0.4782 -0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3264 0.9084 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 -1.2941 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 1.2634 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.9887 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4910 -3.0314 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2433 -2.0829 -0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5514 1.6214 0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 2.5609 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -1.3884 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.5490 0.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 -2.3757 -0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4808 2.3588 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6191 -2.0027 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 18 1 0 0 0 0 3 31 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 21 2 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 20 2 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 2 2 -1 7 1 M END $$$$