HMDB0060675 RDKit 3D Carbamazepine iminoquinone 25 27 0 0 0 0 0 0 0 0999 V2000 -5.0094 -0.9263 -0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8212 -0.4884 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6554 0.8786 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 1.3928 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2668 0.5829 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 1.2506 0.1299 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 0.8044 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 1.8454 -0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 1.6136 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.2954 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9547 -0.7509 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 -0.5141 0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -1.7047 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4919 -1.8534 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 -0.8584 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -1.3594 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5297 1.5201 -0.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 2.4609 -0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 2.8766 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 2.4309 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9036 0.1059 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 -1.7685 0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 -2.5681 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8402 -2.8461 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8724 -2.4201 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 2 1 0 15 5 1 0 12 7 1 0 3 17 1 0 4 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 11 22 1 0 13 23 1 0 14 24 1 0 16 25 1 0 M END