B0SHG1 -OEChem-04022117083D 39 41 0 0 0 0 0 0 0999 V2000 -0.0861 1.7729 -0.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4531 1.6186 -0.1058 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2698 0.1455 -0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6947 -0.6673 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3755 0.5535 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 -0.3399 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1326 1.1511 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2293 -1.1694 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 -1.8653 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 0.6118 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 -0.8338 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 3.0044 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -1.8205 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -0.5936 0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8983 -0.1835 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 -0.7464 -1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 -0.5922 1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -0.4226 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 -0.2682 1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -0.3580 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8331 1.0029 1.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 -2.2404 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8668 -2.8173 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2949 1.5523 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4392 3.2704 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 3.1560 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9607 3.6443 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3476 -2.7454 0.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -0.5846 0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 -0.9270 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3479 -0.6566 2.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7179 -0.3526 -2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7189 -0.0994 2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0164 0.2360 -1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9161 -1.4087 -1.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 -0.3089 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 1.4304 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0204 0.4381 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 1.8466 1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 11 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$