HMDB0000235 RDKit 3D Thiamine 35 36 0 0 0 0 0 0 0 0999 V2000 5.1909 -1.4321 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9661 -0.5749 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.5339 -0.6607 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7301 1.3239 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6796 1.0289 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 1.9222 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5645 1.3938 -0.5358 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.3991 1.5916 -1.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7291 0.8396 -2.5789 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 0.2798 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7611 -0.5230 -1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5663 -1.9797 -0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -2.3804 0.1703 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 0.7225 -0.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0315 0.4882 1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8708 -0.0972 1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -0.4661 2.0561 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 -0.8769 0.9436 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4729 -1.9085 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 -0.7888 -0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0513 -2.1987 -0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 2.2169 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8037 2.9473 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1103 2.1271 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 2.1375 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3066 -0.0859 -0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3930 -0.3021 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0683 -2.3644 -1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5894 -2.4497 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3754 -2.8107 0.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 1.2262 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 0.5652 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7619 -0.5080 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 -1.4018 1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 0.1464 2.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 10 14 2 0 14 15 1 0 5 16 1 0 16 17 1 0 16 18 2 0 18 2 1 0 14 7 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 15 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 M CHG 1 7 1 M END