HMDB0013253 RDKit 3D N-Acetylhistamine 22 22 0 0 0 0 0 0 0 0999 V2000 3.0348 1.6133 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4601 0.2565 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -0.6486 -0.8844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1798 -0.0114 0.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 -1.3483 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -1.4557 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -0.5287 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 -0.8083 -1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2883 0.2541 -1.3067 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 1.2022 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 0.7330 0.4456 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 1.8295 -1.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 2.3394 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 1.6123 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6666 0.7415 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -2.0368 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 -1.5872 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -2.5310 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -1.3200 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4888 -1.7823 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 2.2080 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 1.2683 1.2489 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 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 7 1 0 1 12 1 0 1 13 1 0 1 14 1 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 8 20 1 0 10 21 1 0 11 22 1 0 M END