HMDB0015145 RDKit 3D Edrophonium 28 28 0 0 0 0 0 0 0 0999 V2000 -1.8686 1.7837 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 0.3048 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9717 -0.3636 -0.2612 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.3576 -1.7821 -0.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.1275 -1.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3975 -0.2959 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 -0.7809 1.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 -0.7419 1.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0775 -0.2037 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6874 0.2964 -0.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 0.8390 -1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3415 0.2307 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8847 2.0533 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 2.2242 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 2.2391 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 -0.0069 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8279 -0.1524 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -2.2235 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 -2.2997 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3846 -1.8894 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9536 1.1480 -1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 0.0680 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -0.5599 -2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 -1.2129 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 -1.1226 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1524 -0.1478 0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 1.8416 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0273 0.6268 -1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 M CHG 1 3 1 M END