B4QCR3 -OEChem-04022107003D 45 47 0 0 0 0 0 0 0999 V2000 2.1019 -1.5410 -1.5576 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -1.7076 2.4086 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 0.7589 -0.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.6038 1.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9693 -2.1914 -2.2032 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -2.0466 -1.7356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 -0.5305 -1.0439 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 0.1499 -1.9405 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 1.7470 0.5707 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 -1.7277 0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 1.0003 -0.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -1.3858 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 2.1340 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7183 -2.2613 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 2.5567 0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8184 -0.8901 0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -0.0684 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -0.8093 0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 2.7643 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -2.3066 2.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1479 1.0614 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9989 -0.3252 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9359 1.3181 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 3.7319 1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1164 1.8830 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 -2.3761 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4103 1.6658 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1946 0.5229 -2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -2.5984 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7052 2.7856 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 2.2103 -0.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 3.7976 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -2.6623 3.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.9623 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1389 1.9646 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 4.6556 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0154 3.7572 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 3.7253 2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 2.9648 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 -2.7010 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 -2.7168 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 -2.8784 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3483 1.7979 -1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2728 1.0305 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6004 2.6412 -0.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 7 18 2 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 16 26 1 0 0 0 0 17 23 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 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 21 27 1 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$