HMDB0003581 RDKit 3D Dethiobiotin 33 33 0 0 0 0 0 0 0 0999 V2000 -3.6392 1.3524 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 0.0165 -0.0738 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5279 0.0013 1.3471 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 -1.1569 1.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0643 -1.8361 2.8472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7764 -1.3773 0.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -0.4721 -0.2823 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9183 0.5965 -0.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 -0.0773 -0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4848 0.9784 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 0.4519 -0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2067 -0.5948 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -1.1310 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 -1.9308 -0.6786 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6213 -0.7902 1.1328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7757 1.2371 -1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 2.1102 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 1.7049 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0622 -0.7314 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0522 0.6698 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.0837 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8177 -0.9917 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 1.3740 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.0734 0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 -0.8753 0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.5174 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 1.7701 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 1.4556 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0302 0.0495 -1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 1.2831 -0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 -0.1035 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5146 -1.4588 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1888 0.0035 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 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 1 0 12 13 1 0 13 14 2 0 13 15 1 0 7 2 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 6 3 20 1 0 6 21 1 0 7 22 1 6 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 15 33 1 0 M END