B29SFA -OEChem-04022102163D 39 39 0 1 0 0 0 0 0999 V2000 3.4902 0.6386 -2.0902 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 2.6775 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8511 1.8031 -0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1899 0.1158 0.5692 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8795 -0.9554 -1.6607 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 1.4312 -0.0354 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0840 1.2848 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1761 2.1206 0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 0.3322 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0174 -0.8023 -0.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 0.4666 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -0.9391 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8339 0.8398 -0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9895 -1.8026 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5939 -2.3119 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2778 -0.5336 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -1.6682 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 -2.6970 1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6734 1.5015 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 1.5643 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 0.2314 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 3.1821 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 2.0207 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 2.3403 -1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 1.3319 1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 -0.9237 1.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0088 -0.7227 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1666 3.3897 0.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8789 -2.6921 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1965 -2.3438 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3919 -3.0612 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1561 -0.4309 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 0.2825 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8764 -2.4473 -0.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -1.7943 -2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.3359 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8389 -2.6636 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 -2.0309 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -3.7157 1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 6 1 0 0 0 0 2 28 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 14 2 0 0 0 0 11 16 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 34 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$