B54TMQ -OEChem-04022117253D 29 30 0 1 0 0 0 0 0999 V2000 -2.5182 -2.3464 0.6041 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 2.2790 -0.3094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5881 0.9882 -0.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0704 -1.7000 -0.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6265 -0.3900 1.3889 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7465 -0.0717 0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -0.8537 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0825 -1.5138 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 0.8292 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 0.8343 1.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 -0.7498 -0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0468 -2.6387 -1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 0.9509 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 1.3471 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 0.1659 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7851 2.8695 -1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 -0.7914 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 1.6389 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 0.5911 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4725 1.4419 2.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4468 -1.3538 -1.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7655 -3.3551 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -2.0898 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -3.1877 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6426 1.6560 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 0.2715 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 2.1018 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 3.5910 -1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 3.3960 -1.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END $$$$