HMDB0015194 RDKit 3D Azlocillin 55 58 0 0 0 0 0 0 0 0999 V2000 -3.5856 -1.4488 -1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -0.1356 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6384 0.7659 -1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2545 0.7531 -0.4535 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4267 0.8202 1.3707 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3329 0.1103 2.1274 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3744 -0.6067 1.3513 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0103 -0.4267 1.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4026 0.3431 2.5422 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0675 -1.1503 0.8553 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1434 -0.2399 0.5828 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 1.1555 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 1.7248 0.5875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0586 1.9994 0.2198 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 1.5804 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2405 2.8054 0.3506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 3.8867 -0.0255 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 3.4047 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0208 4.1725 0.0583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 -1.9187 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3466 -1.3082 -1.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 -1.9993 -2.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -3.3599 -2.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -3.9986 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3204 -3.2685 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4894 -0.7124 2.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -1.4626 3.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 -0.2999 1.5487 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -0.2631 0.5976 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2746 0.8871 0.8942 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 1.6174 1.8789 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3860 1.2161 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -2.1535 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7746 -1.3103 -2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5903 -1.8774 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 0.8195 -2.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6293 0.3289 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 1.8133 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7275 1.7907 1.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 0.7549 2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 -1.2698 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4866 -1.8954 1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 -0.6394 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 1.3216 -1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7050 0.7362 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1831 2.8465 -0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 2.8067 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 4.8439 -0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 -0.2389 -1.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -1.4819 -3.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2672 -3.9158 -3.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 -5.0554 -1.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -3.8191 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 -1.2084 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6763 2.1596 -0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 10 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 6 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 29 2 1 0 28 5 1 0 18 14 1 0 25 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 5 39 1 1 6 40 1 1 7 41 1 0 10 42 1 1 11 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 21 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 29 54 1 6 32 55 1 0 M END