B89PUQ -OEChem-04022108443D 32 33 0 1 0 0 0 0 0999 V2000 -5.4514 -0.1885 -0.3140 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9498 0.5436 1.0137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 3.2526 0.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 -2.8071 0.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -0.5185 0.2053 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3885 -1.0914 0.0143 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1551 -1.4381 0.0905 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6079 -0.9033 -0.1294 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7299 -0.7396 -0.2547 N 0 5 0 0 0 0 0 0 0 0 0 0 2.5129 -0.1200 -0.6536 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4471 -0.6352 0.3714 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1823 -0.7709 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.9783 0.3356 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8372 2.3045 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 0.7288 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -1.6695 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8569 0.9559 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -0.2188 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3917 2.3371 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 0.2601 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -1.4854 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 -0.2104 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2538 -1.8125 -1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9111 1.1362 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 2.2353 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 2.6773 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 1.5699 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 -2.2553 0.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 2.9055 1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0918 2.6214 0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9039 2.3965 -1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 3.0881 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 16 2 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 20 1 0 0 0 0 11 12 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 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M CHG 2 8 1 9 -1 M END $$$$