B3SN9X -OEChem-04012114273D 28 30 0 0 0 0 0 0 0999 V2000 -1.1303 1.8107 -0.4126 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5599 -2.3013 0.1897 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 0.5173 -0.5105 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 -1.8095 -0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1096 -3.6974 0.1574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 2.4950 1.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2285 2.0643 -0.9868 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 -0.7315 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 0.2471 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6642 -0.2470 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 1.1320 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.2431 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9801 -1.6007 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8825 -0.9318 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 1.8369 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0908 -0.2312 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 1.1388 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1198 -2.4636 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6912 1.0953 0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8631 1.9195 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8873 -2.0052 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 2.9100 -0.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0217 -0.7636 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0509 1.6759 0.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 1.7507 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 0.3052 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0679 -2.4248 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2438 3.0403 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 18 2 0 0 0 0 6 20 1 0 0 0 0 6 28 1 0 0 0 0 7 20 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 M END $$$$