HMDB0248272 RDKit 3D (5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-pyridin-3-yl-4-thia-1-azabicyclo[3.2.... 32 34 0 0 0 0 0 0 0 0999 V2000 -4.0448 -0.4399 -1.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 0.9825 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5563 1.7490 -2.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4778 1.0403 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 0.3019 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3231 0.0618 1.8004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1071 -0.0112 0.6715 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2296 -0.2985 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -0.8914 2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 -1.2172 3.0844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 -1.1263 2.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 0.0208 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5531 -0.1422 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 0.9237 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 0.7878 -0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3219 -0.4609 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -1.5075 -0.0727 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1491 -1.3775 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1162 0.7594 -1.3501 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 0.0234 -0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7933 -1.0551 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 -0.7493 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 -0.5444 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5540 1.4195 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3746 1.8580 -2.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0104 2.0488 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 -1.9936 2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 1.9314 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4101 1.6449 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 -0.5830 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 -2.2417 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7499 -0.9136 -1.1865 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 1 0 19 20 1 0 20 4 1 0 20 7 1 0 18 13 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 11 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 18 31 1 0 20 32 1 0 M END