HMDB0015367 RDKit 3D Bromodiphenhydramine 40 41 0 0 0 0 0 0 0 0999 V2000 4.5548 0.0152 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -0.3470 0.8558 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4439 -1.6308 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 0.6939 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 0.4764 -0.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5632 0.4528 0.0635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 0.2523 -0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 -1.0401 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8205 -1.8792 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 -3.0840 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4642 -3.4893 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 -2.6701 1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -1.4892 1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 1.3806 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 2.6652 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 3.7495 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 3.5654 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4437 5.0767 0.1411 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 2.2795 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8972 1.2119 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4701 0.9413 2.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2678 0.0956 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 -0.8634 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 -1.4824 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 -2.1884 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 -2.2601 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 1.6985 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7465 0.5945 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 1.2749 -1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7126 -0.5157 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4072 0.1709 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8145 -1.6322 -2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 -3.7517 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 -4.4355 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -3.0033 2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 -0.8539 1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0809 2.9154 -0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 4.7676 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 2.1227 0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3248 0.2154 0.0196 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 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 7 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 13 8 1 0 20 14 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 7 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 20 40 1 0 M END