B25PQJ -OEChem-04022105243D 32 35 0 0 0 0 0 0 0999 V2000 -4.1379 -0.9140 0.1926 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 2.0624 0.7939 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7576 0.2256 -0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -2.6991 0.2544 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 -2.0427 0.1164 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8952 -2.9661 0.2268 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9638 2.3010 -0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3075 0.8632 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 2.9420 -0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 1.9407 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6632 0.6838 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6014 -0.3567 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4957 -1.4104 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 -0.7298 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 0.1205 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9578 1.1557 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -1.0185 -0.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 1.0519 0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1516 -1.1223 -0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 -0.0871 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5906 2.6907 0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2326 2.4999 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 3.9346 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4164 3.0583 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2744 1.8993 -0.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 2.2214 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4364 1.1847 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 2.0463 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 -1.8294 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -2.0056 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 -0.1794 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0581 1.8231 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 18 1 0 0 0 0 2 32 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 27 1 0 0 0 0 4 6 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 M END $$$$