HMDB0060785 RDKit 3D 6-Hydroxyemedastine 49 51 0 0 0 0 0 0 0 0999 V2000 4.9742 -3.4200 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -2.4775 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3448 -1.7410 -0.2282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 -0.8417 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7598 -0.1008 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 0.8640 -0.3440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4873 0.7113 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 -0.4945 -0.2311 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2411 -1.3295 0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6094 -1.9423 1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -1.0612 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 -1.1889 -0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4322 -0.9862 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 -0.2162 -1.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 -0.6979 -1.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.8976 0.3408 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 2.7996 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0294 4.1464 0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 4.8113 0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3418 4.2099 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5277 4.9056 0.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 2.8699 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 2.1571 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 -3.5709 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -3.0133 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 -4.4125 -0.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -3.0243 1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6888 -1.8197 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0482 -0.0453 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7552 -1.2517 1.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 0.3341 -1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 -0.9107 -1.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4715 -2.1288 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 -0.6979 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 -2.9180 0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7159 -2.1377 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5565 -0.0002 1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6555 -1.4145 1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6802 0.0726 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9908 -1.2869 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7682 -1.6016 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6229 -0.1281 -2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 0.7743 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -1.7830 -1.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 -0.1214 -2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9287 4.6469 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1867 5.8708 0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7235 5.3579 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1886 2.3350 -0.5109 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 7 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 23 6 1 0 15 8 1 0 23 17 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 13 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 18 46 1 0 19 47 1 0 21 48 1 0 22 49 1 0 M END