HMDB0001927 RDKit 3D Diphenhydramine 40 41 0 0 0 0 0 0 0 0999 V2000 4.1664 0.8101 -1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 -0.3320 -0.9377 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3646 -1.1531 -0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -0.0056 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5551 -1.1661 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3469 -0.8431 0.8786 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -0.3147 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9528 1.0864 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 1.4458 1.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 2.7630 2.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 3.7177 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 3.3819 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 2.0835 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 -1.1380 -0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4026 -1.6424 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5653 -2.4161 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1529 -2.6818 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5947 -2.1868 -1.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 -1.4199 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 0.9418 -2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2631 0.6254 -1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 1.7366 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 -0.9068 -0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 -2.2096 -0.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2811 -0.9854 0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 0.5102 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4388 0.7605 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 -1.7528 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 -1.9005 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 -0.2620 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 0.7184 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 3.0498 3.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8662 4.7538 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4671 4.1689 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.8015 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9885 -1.4677 2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 -2.8232 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0535 -3.2793 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 -2.4122 -2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 -1.0560 -2.1826 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 18 19 2 0 13 8 1 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 M END