HMDB0004818 RDKit 3D Biotin sulfone 34 35 0 0 0 0 0 0 0 0999 V2000 4.1849 -1.5891 1.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -0.6093 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -0.1607 0.7823 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8146 0.1027 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3987 -0.3916 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -0.3100 0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 -0.8047 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6344 -0.0785 -0.4756 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0120 -0.6377 -0.5710 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6256 -1.0011 0.6793 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 -0.8201 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9762 -1.1857 1.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2406 -0.1313 -0.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 0.4686 -1.0411 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7302 1.5977 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 1.6173 0.0154 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.4979 2.5811 -1.0364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 1.9176 1.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 0.5686 1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2837 0.0648 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 1.2066 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9684 0.1476 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -1.4724 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5768 0.7595 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -0.8825 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -1.8809 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -0.6471 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -0.1150 -1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 -1.4620 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2489 -1.3329 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1124 -0.0789 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 0.7537 -2.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 1.2626 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1351 2.5434 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 2 0 16 8 1 0 14 9 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 6 9 29 1 6 10 30 1 0 13 31 1 0 14 32 1 6 15 33 1 0 15 34 1 0 M END