HMDB0255061 RDKit 3D N-Acetyl-S-benzyl-L-cysteine 32 32 0 0 0 0 0 0 0 0999 V2000 4.9890 1.1794 0.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8373 0.2393 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 -0.6457 1.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 0.3152 -0.5166 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 -0.6145 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 0.0852 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 1.0544 0.9906 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 1.8132 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.7497 0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0012 0.4121 2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9745 -0.5786 2.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4386 -1.2078 1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9177 -0.8416 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9568 0.1353 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -1.3285 -1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 -1.0845 -2.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -2.2835 -2.1709 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9189 0.5660 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 1.8099 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0479 1.7247 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9664 1.0551 -1.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8179 -1.3427 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -0.6393 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 0.7216 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6422 2.5203 1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 2.3050 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 0.8382 3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3885 -0.8725 3.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2021 -1.9767 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 -1.3632 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 0.4279 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -3.1733 -1.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 5 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 17 32 1 0 M END