BQD8E4 -OEChem-04022105273D 37 40 0 0 0 0 0 0 0999 V2000 0.0583 1.1035 1.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -1.6304 -0.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4289 2.0500 -0.9535 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 2.4755 1.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1048 -1.8858 0.8473 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8341 -2.9937 -0.0207 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -0.9416 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 -1.6705 1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -1.6500 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2327 1.1923 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 0.4811 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 0.4811 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2981 -1.0085 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2221 -1.1690 0.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 -3.1029 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 2.5848 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4622 1.1764 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 0.0311 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -1.9065 -0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4374 3.2665 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 2.5657 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 0.4937 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4521 -1.4439 -1.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 -0.2438 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 1.7449 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -0.9826 2.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5411 -2.6204 1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 -4.0293 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 3.1561 0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 0.6568 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 0.5993 1.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -2.8487 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 4.3480 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 3.1042 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 -2.0197 -2.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8535 0.0789 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8939 2.8953 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 2 0 0 0 0 3 25 1 0 0 0 0 3 37 1 0 0 0 0 4 25 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END $$$$