D0PP3Q -OEChem-10101305022D 21 22 0 0 0 0 0 0 0999 V2000 5.9150 -0.4275 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9841 -1.0998 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9470 -1.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4150 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 1.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 0.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2931 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9841 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7794 1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0506 1.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4841 1.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3485 -1.6014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 1.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 M END $$$$