D0T1EO -OEChem-04152111053D 41 42 0 1 0 0 0 0 0999 V2000 -1.3227 -0.8365 1.4347 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5141 -0.3441 2.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3446 -2.2674 1.1907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 2.8948 -0.0742 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 1.1500 1.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -2.7820 1.5454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -0.1313 0.7763 N 0 0 1 0 0 0 0 0 0 0 0 0 0.7441 -0.8805 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1975 1.3365 0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6021 -0.1216 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 -1.7775 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2838 -0.6904 -1.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -0.7591 -0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 1.0804 0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 1.7471 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3613 -2.4845 -1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 -1.3974 -2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 -2.2945 -2.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0162 -0.1946 -1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2004 1.6449 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6103 1.0074 -1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2861 -1.9974 1.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0806 3.4175 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0355 4.6801 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3228 1.7027 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2431 1.7986 1.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 0.0149 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5661 -1.6972 -1.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 1.5968 1.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -3.1889 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 -1.2463 -3.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3518 -2.8441 -3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3356 -0.6911 -2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6623 2.5815 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 1.4471 -1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 -1.4351 2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 3.6447 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7205 2.6739 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0354 5.1072 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 5.4269 -0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 4.4720 -2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 15 1 0 0 0 0 4 23 1 0 0 0 0 5 15 2 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 15 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 19 1 0 0 0 0 13 28 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 16 18 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$