B26QZF -OEChem-04012113113D 28 29 0 0 0 0 0 0 0999 V2000 -4.4391 1.4009 -0.0017 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.1875 0.0960 -0.0012 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7815 -0.6987 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7061 -1.2341 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 0.8178 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 0.7718 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 -0.9963 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7818 -1.1218 0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 0.4367 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 1.4079 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 -0.9161 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4724 -0.3264 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 1.0263 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4712 -1.2977 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 -0.0055 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1288 0.2608 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5298 0.0324 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7537 0.3458 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 2.4655 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.7253 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2747 1.8201 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 1.8319 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7317 -2.3527 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 1.7827 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 -2.0595 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6905 0.9516 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6934 0.9543 -0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7397 -0.1304 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 17 2 0 0 0 0 3 12 1 0 0 0 0 3 18 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 21 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 17 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$