HMDB0258304 RDKit 3D sinitrodil 27 28 0 0 0 0 0 0 0 0999 V2000 0.0900 0.9289 -1.7215 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 0.2128 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 0.3728 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 1.2714 -1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8918 1.4224 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3972 0.6410 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5931 -0.2558 0.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -0.4050 0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4168 -1.2813 1.2115 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.3636 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4891 -0.7127 -0.0909 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.9648 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8383 -0.0149 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1146 -0.3504 -0.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2275 0.3481 -0.0561 N 0 0 0 0 0 4 0 0 0 0 0 0 5.6820 0.0969 1.0855 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8422 1.2938 -0.8615 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.1643 1.8834 -1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4930 2.1325 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 0.7578 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9795 -0.8692 1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4208 -0.8852 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -2.4348 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 -2.0089 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8914 -0.7710 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6457 1.0297 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8206 -0.0742 1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 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 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 11 2 1 0 8 3 1 0 4 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 12 24 1 0 12 25 1 0 13 26 1 0 13 27 1 0 M CHG 2 15 1 17 -1 M END