HMDB0000895 RDKit 3D Acetylcholine 26 25 0 0 0 0 0 0 0 0999 V2000 4.2649 0.5271 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 0.4869 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 1.5873 -0.4496 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 -0.6709 -0.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -0.7608 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 -0.0285 0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5111 -0.0720 0.2498 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.1271 0.5974 1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -1.4324 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9213 0.5588 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4707 0.6942 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7312 1.3328 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -0.4400 -0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5316 -0.2471 -1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -1.8130 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1056 -0.4677 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1892 1.0452 0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9325 1.6740 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 0.3549 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 0.2003 2.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9682 -1.7734 -0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 -2.0943 0.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 -1.3680 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9995 -0.2197 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9287 1.0062 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 1.3226 -1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 5 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 M CHG 1 7 1 M END