B78CPE -OEChem-04012113133D 33 34 0 1 0 0 0 0 0999 V2000 4.5921 0.8880 -0.1973 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 1.7846 1.1939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 1.9979 -0.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4879 0.0314 0.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 -1.0279 0.8191 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 -0.2409 -1.1120 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0429 -1.6244 -0.4303 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9971 0.7118 -0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -2.2151 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4349 0.3586 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 0.0906 -0.4098 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7476 -1.5677 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3798 -1.2579 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 0.3220 0.2586 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3363 1.0157 0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5307 0.7333 0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2874 -0.3799 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 -2.3044 -1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 0.9851 0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 1.6507 -1.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 -2.4752 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -3.1514 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 -0.2037 -1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3968 1.3867 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7434 -0.0405 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8157 -2.5783 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -0.9726 1.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -1.1208 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 -1.7115 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6109 1.0074 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -1.6432 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2254 1.4870 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5626 2.2859 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 32 1 0 0 0 0 2 15 2 0 0 0 0 3 16 1 0 0 0 0 3 33 1 0 0 0 0 4 16 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 M END $$$$