B3CYR9 -OEChem-04012115323D 42 44 0 1 0 0 0 0 0999 V2000 -3.3004 0.1647 1.2175 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 -2.7432 0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2930 1.1284 -1.6733 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 2.7413 -0.4324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -1.3330 0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 1.3721 1.8489 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8537 0.5251 -0.8872 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 -0.6122 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -0.3632 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 0.6608 0.6475 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6433 -2.2390 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 -1.7926 -0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -1.6344 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -0.3843 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -3.6038 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 -2.7108 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 1.7722 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 1.7673 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 1.6265 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4039 -4.5223 -0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -4.0757 -0.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7549 2.9528 1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 2.9884 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4988 4.1475 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 4.1674 -0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4584 -1.1293 -0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3182 -1.3032 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3975 0.2782 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2529 0.1499 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 0.4154 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1805 -0.3496 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6233 -4.0376 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -2.3896 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1282 2.1640 2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 0.7590 2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1881 -5.5855 -0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5326 -4.7908 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 2.9448 1.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4809 3.0154 -2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9395 5.0727 0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 5.1061 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1925 1.7617 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 3 19 1 0 0 0 0 3 42 1 0 0 0 0 4 19 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 10 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 14 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 23 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$