B5JDP8 -OEChem-04022106003D 40 41 0 1 0 0 0 0 0999 V2000 2.0263 1.3060 0.3135 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 -1.3544 -1.2994 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4422 2.3806 -0.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 1.4535 1.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 -1.0832 -0.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 -0.4868 1.5063 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 -0.9129 0.1407 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7800 0.0655 -0.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3275 0.3487 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 0.0706 0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6383 -0.5949 1.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 0.9445 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 0.3599 0.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5195 0.9452 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9235 -0.9624 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 -0.1674 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 1.2390 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3954 -0.0233 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1478 -1.2876 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2937 -2.2404 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 -1.9214 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -0.3525 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 1.0226 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4309 -0.1328 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -1.6521 1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5784 -1.0672 2.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 0.1161 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 1.1819 -2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3910 0.0149 0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3828 -1.6863 0.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -0.9948 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6898 -0.3481 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 1.6911 -2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 0.8255 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 0.2133 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -2.1325 0.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 -1.5170 -1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9915 -3.0858 0.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3487 -2.0253 -0.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1738 -2.4921 -1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$