BQP86D -OEChem-04022104323D 29 30 0 0 0 0 0 0 0999 V2000 1.9362 0.1099 -1.2313 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 0.9594 -2.1782 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2909 1.4014 0.8504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7316 1.0998 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 -0.5218 2.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 0.1796 0.2983 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 -0.8656 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 0.2061 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 -0.7421 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8502 0.0619 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -2.0814 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7202 -0.3505 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -1.1539 -0.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -2.2255 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 -0.2555 1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 0.4322 -1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 2.5400 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6642 1.2060 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 -1.0099 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3828 -2.9272 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 -1.2734 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5696 -3.1721 -1.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 0.3092 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0658 2.2709 -1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4389 3.1873 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 3.1023 0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1422 1.3248 1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3121 0.3243 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2845 2.0899 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 16 2 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 5 15 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 19 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 17 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M END $$$$