B8QJ6V -OEChem-04022113473D 31 33 0 0 0 0 0 0 0999 V2000 -0.8856 -1.6984 -0.0576 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8575 1.0276 0.0424 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 4.4388 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1613 2.4876 0.0936 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 -3.2694 -0.1067 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1783 -1.4411 -0.0385 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 -3.5494 -0.1131 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -2.4962 -0.0742 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5601 -0.1253 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 0.3026 0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -1.0742 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 0.0179 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5901 0.8521 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 0.7236 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7513 -0.5491 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -1.9363 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0150 0.8623 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1393 -0.4105 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 2.4553 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 0.2953 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0963 3.0865 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8352 1.9064 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0546 1.1704 -1.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2813 -1.0948 1.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5071 1.4113 -1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7281 -0.8499 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2033 2.8114 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 2.7498 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8516 0.4036 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 -4.5026 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8641 4.8773 0.1236 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 10 1 0 0 0 0 2 19 1 0 0 0 0 3 21 1 0 0 0 0 3 31 1 0 0 0 0 4 21 2 0 0 0 0 5 7 1 0 0 0 0 5 16 2 0 0 0 0 6 8 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 17 20 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 M END $$$$