B3O1FQ -OEChem-04022116003D 29 30 0 1 0 0 0 0 0999 V2000 3.6566 0.0489 0.0896 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.5014 0.5803 0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 1.8492 0.9504 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1771 0.6636 -1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 1.2545 1.1194 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3403 -1.2366 0.4528 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8398 -0.3211 -1.6622 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3607 -0.1894 -0.2903 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4698 -1.5215 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 0.0572 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -2.2644 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -1.1198 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -1.1465 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1799 1.2306 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 0.8649 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8937 0.0351 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2133 1.2150 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -2.1363 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6117 -1.3247 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1574 -2.8816 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8952 -2.8804 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 -2.0651 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6926 2.1438 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3557 -1.0830 -2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 0.5262 -2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 2.1284 -0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0561 1.2602 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1429 0.7233 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 1.4140 1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 28 1 0 0 0 0 5 29 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 13 16 2 0 0 0 0 13 22 1 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$