L9DKH3 -OEChem-05022323433D 40 42 0 1 0 0 0 0 0999 V2000 3.2089 0.5649 -1.3489 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -0.4735 -2.0346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 1.2722 -1.9877 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 2.7221 1.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 0.0084 0.2098 N 0 0 2 0 0 0 0 0 0 0 0 0 4.2726 1.7020 -0.6598 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9548 1.4121 0.0891 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -0.8218 0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9505 1.0353 1.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 -2.2096 0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 1.9086 0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 -0.2228 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -1.0114 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5107 -2.9983 0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7481 -2.3992 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -0.3905 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 -2.8767 0.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2411 -1.0718 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3455 0.8892 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6821 0.8065 0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5003 -0.4734 -0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6047 1.4877 0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9107 1.1398 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2771 0.5518 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0676 1.6562 1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9051 2.2808 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 0.8576 0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -4.0805 0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6143 -3.0515 0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9121 -3.9270 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6511 -2.3915 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4708 -2.8482 -0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 -2.0574 -0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5444 1.4454 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3197 -1.0298 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 2.4829 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0516 2.2852 0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4729 1.2590 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7471 1.8416 -0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3254 0.1313 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 37 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$