DQCJ39 -OEChem-01102402163D 28 28 0 1 0 0 0 0 0999 V2000 -1.5578 1.0880 -1.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 1.9333 0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7525 2.0239 0.4363 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1035 -0.1361 -0.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6184 -0.6352 0.7314 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 -0.4648 0.0930 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2036 -0.7461 1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.5796 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2555 -1.4661 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 0.9683 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 0.6558 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -1.6658 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 0.8099 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 -1.5117 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -0.2738 -0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3459 -0.0817 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3193 -1.7625 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3466 -2.4990 -0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3244 -1.3996 -1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -1.2894 -1.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7057 -1.5825 1.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3601 -0.5319 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 1.5025 1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.6347 0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7053 -2.3645 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5385 2.0156 -1.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 1.9486 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4099 -0.9885 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 13 1 0 0 0 0 3 27 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$