HMDB0001936 RDKit 3D Doxylamine 42 43 0 0 0 0 0 0 0 0999 V2000 4.7552 0.3217 1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 -0.4151 0.6828 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 -0.7786 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 0.3594 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 -0.2909 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 0.5568 -0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 0.1326 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5613 -0.0997 -2.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 1.2556 -0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 2.0100 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 3.0605 0.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 3.3650 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 2.6340 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 1.5696 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3418 -1.1253 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6067 -1.2724 1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 -2.4755 1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 -3.5379 0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 -3.3528 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5789 -2.1901 -0.8418 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6607 -0.2794 1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0185 1.2787 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2704 0.6096 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2516 -1.3165 -0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 -1.4870 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5235 0.0947 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2436 0.5697 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 1.3233 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 -1.3200 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 -0.3333 -1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 -0.5307 -2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.9534 -2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 0.8136 -2.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 1.7948 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 3.6283 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 4.2037 0.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3331 2.8846 -2.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7994 1.0251 -2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 -0.4838 1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 -2.5765 2.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -4.4876 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -4.1852 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 9 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 8 31 1 0 8 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 M END