HMDB0036030 RDKit 3D Buccoxime 29 30 0 0 0 0 0 0 0 0999 V2000 -1.9358 1.7280 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0966 0.6136 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 -0.7246 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 -1.8894 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 -1.6423 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -0.3196 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 -0.1211 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -0.2520 -1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7999 0.8302 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 0.6864 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8318 1.3933 1.5314 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1573 1.2891 1.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 1.9204 1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 1.4224 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8053 2.6257 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 -0.6532 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4817 -0.8720 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -2.5835 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 -2.5264 1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -2.4340 -0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 -1.5477 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -0.7049 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 0.9414 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9015 -0.5317 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 -0.0450 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 -1.1770 -1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 1.8027 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 0.7280 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 2.0433 1.7381 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 6 10 1 0 10 11 2 3 11 12 1 0 9 2 1 0 10 2 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 12 29 1 0 M END