HMDB0015219 RDKit 3D Primaquine 40 41 0 0 0 0 0 0 0 0999 V2000 2.0692 2.3923 -2.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 1.6022 -1.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 0.6384 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 0.3822 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 -0.5822 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 -0.8042 0.7308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 -0.0881 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4675 -0.4173 -1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6821 -0.4289 0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9112 0.2418 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 1.7484 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9451 2.4035 -0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0158 -1.3156 0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 -2.2855 1.9056 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 -3.0046 2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0658 -2.8036 2.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3480 -1.8221 1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 -1.0784 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6621 -0.1095 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.7265 -3.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5252 3.2263 -2.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3636 2.8479 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.9875 -0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -1.5430 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 1.0040 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 -0.9873 -1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -1.0862 -1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4719 0.4825 -2.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 -1.5264 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 -0.1136 1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -0.0157 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -0.0571 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 2.0058 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8575 2.1108 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6298 3.2647 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5319 1.7700 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5132 -3.7899 3.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8706 -3.3817 2.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 -1.6377 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 0.0443 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 5 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 3 1 0 18 13 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 19 40 1 0 M END