HMDB0001091 RDKit 3D 3-Hydroxyquinine 49 52 0 0 0 0 0 0 0 0999 V2000 5.5381 0.9636 -1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 0.1916 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 0.5993 -0.7964 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7809 1.8596 -1.2155 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -0.3782 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -1.0981 -0.0941 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7517 -1.7571 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6323 -0.7633 1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2767 0.6199 0.7135 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8888 0.9331 1.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 -0.2677 0.8952 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3611 0.2675 0.5097 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7579 1.0605 1.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 -0.8670 0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 -2.1816 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -3.1918 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 -2.8573 -0.0503 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 -1.5714 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 -1.2859 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 0.0309 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 1.0520 -0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 2.3643 -1.1432 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8271 2.7664 -1.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 0.7214 -0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -0.5754 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4468 1.9015 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 0.7058 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5977 -0.7133 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0656 2.5911 -0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 -1.1599 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 0.0963 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -2.2931 -0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -2.5304 1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -0.9827 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2781 -0.7628 2.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 1.3464 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 1.0442 2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 1.8654 0.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 -0.8593 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2823 0.8976 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 0.5583 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -2.4331 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6545 -4.2026 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4640 -2.1136 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1250 0.2423 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2031 2.0693 -2.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5152 2.7964 -0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7504 3.8124 -1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 1.4883 -0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 6 3 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 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 2 0 9 3 1 0 25 14 1 0 11 6 1 0 25 18 1 0 1 26 1 0 1 27 1 0 2 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 6 10 37 1 0 10 38 1 0 11 39 1 1 12 40 1 6 13 41 1 0 15 42 1 0 16 43 1 0 19 44 1 0 20 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 M END