HMDB0255137 RDKit 3D N-ethylmaleimide 16 16 0 0 0 0 0 0 0 0999 V2000 -2.2361 -0.0924 -0.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 0.5547 0.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1198 0.1532 0.1395 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 -0.9132 0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.7491 1.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2543 -0.8768 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 0.1519 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 0.8395 -0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 1.8604 -1.4709 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 -1.0702 -0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -0.2637 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1076 0.5899 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 0.3354 1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3059 1.6487 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.6036 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 0.4351 -1.4202 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 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 3 1 0 1 10 1 0 1 11 1 0 1 12 1 0 2 13 1 0 2 14 1 0 6 15 1 0 7 16 1 0 M END