HMDB0013305 RDKit 3D Propionylcholine 29 28 0 0 0 0 0 0 0 0999 V2000 4.4963 0.4004 0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 -0.8754 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -0.4546 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7164 -0.8355 -1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 0.3499 0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2304 0.7600 0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.4070 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 -0.0308 0.0631 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4956 -0.7334 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 -0.4433 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 1.3756 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 0.7766 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 0.1961 0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9758 1.1119 0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 -1.6241 -0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -1.3343 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 1.5273 1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2447 1.2855 -0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -0.8874 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 -1.1527 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -1.0763 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7896 -1.5598 -1.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 -0.0032 -1.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5534 0.1740 2.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9749 -0.2809 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6612 -1.5203 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1962 1.9375 0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 1.8273 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3579 1.4966 -0.4141 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 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 11 27 1 0 11 28 1 0 11 29 1 0 M CHG 1 8 1 M END