B3UKR2 -OEChem-04022101393D 38 38 0 1 0 0 0 0 0999 V2000 0.7260 2.3435 1.1763 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1557 -4.1489 -0.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 0.0126 -1.4924 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9161 0.2978 1.6271 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6502 -1.0811 1.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6874 2.0470 -1.1234 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 2.7844 0.5434 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 1.4177 -0.7317 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7617 1.6428 0.0645 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0189 0.4216 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -0.8020 0.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 2.0569 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9835 -1.0286 1.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -1.6742 -0.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7053 2.3816 -1.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2761 -2.1590 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1256 -2.8044 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 -3.0469 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 1.1290 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 0.4154 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8626 -0.2055 0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 1.4172 -0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 0.1855 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 0.6437 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 1.7753 -1.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 3.5654 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5331 2.5463 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 -0.3516 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 -1.4922 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 3.1290 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 2.7982 -2.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 -2.3421 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 -3.4879 -1.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 2.3761 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 0.9084 -0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 -0.3765 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -4.6503 -1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 -0.1234 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 37 1 0 0 0 0 3 19 2 0 0 0 0 4 21 1 0 0 0 0 4 38 1 0 0 0 0 5 21 2 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$