B5KQU2 -OEChem-04022117243D 29 31 0 0 0 0 0 0 0999 V2000 -0.1964 2.0594 0.3561 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 -0.9723 -0.0606 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 -2.3522 -0.2586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 -0.1794 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -1.0640 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3611 -0.5687 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 1.1937 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 -2.2608 -0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -0.5667 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5595 1.6713 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6509 0.8085 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 -0.2053 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0103 -0.5312 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3563 0.2017 -1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 -0.1240 1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0159 0.2424 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 2.6474 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2943 -3.0904 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3204 -1.2288 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 2.7339 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 1.2095 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5222 -0.2347 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4969 -0.8127 2.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 0.4871 -2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 -0.0916 2.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0534 0.5597 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 3.5832 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 1.9938 -1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 2.8797 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 17 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$