HMDB0012235 RDKit 3D Hydroxybupropion 35 35 0 0 0 0 0 0 0 0999 V2000 0.0608 -0.1272 -1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1342 -0.0591 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2869 -0.6701 0.7515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5767 -0.2485 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 -0.3225 -0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 -1.1936 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8886 1.1535 0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 2.0808 0.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 -0.7300 0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 -1.7254 1.5779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4353 -0.2478 0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 0.8706 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 1.3054 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0959 0.6000 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8012 -0.5232 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 -1.4059 1.5969 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5134 -0.9499 1.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0784 0.8880 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6611 -0.7813 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1017 -0.4566 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 0.9981 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1414 -1.3219 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8814 -1.3420 -1.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 0.4977 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -0.2067 -0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 -0.8657 2.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5276 -1.1635 0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0956 -2.1930 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 1.1846 2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 1.4268 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 2.7980 -0.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 1.4804 -0.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2689 2.1871 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1302 0.9058 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 -1.8428 1.7268 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 4 6 1 0 4 7 1 0 7 8 1 0 2 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 5 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 17 35 1 0 M END