HMDB0060159 RDKit 3D Ebastine 74 77 0 0 0 0 0 0 0 0999 V2000 -9.2582 -0.8306 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4537 0.3135 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5390 0.1711 -1.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0735 1.6399 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0552 0.2465 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4945 -0.8647 0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1539 -0.9269 1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3231 0.1381 1.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8914 0.0639 1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 0.9752 1.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1791 -1.1573 0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4161 -0.6143 -0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 0.2675 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0223 -0.3126 -0.0204 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 -0.7765 -1.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -1.8096 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5236 -1.3885 -0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 -0.2938 -0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6516 0.8002 -0.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2168 1.4170 0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2009 2.7035 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7847 3.1171 2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3998 2.1973 3.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4217 0.8786 2.6952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8453 0.5139 1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 0.2336 -1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -0.7549 -2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2094 -1.2828 -2.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3703 -0.7235 -2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4624 0.3039 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2033 0.8045 -0.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.5316 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 -1.2337 0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 1.2805 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2063 1.3030 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3292 -0.8625 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9304 -1.7485 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3255 -0.6695 0.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6058 0.2535 -1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2623 -0.8867 -1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8865 0.9141 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4755 2.4510 -0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1183 1.7454 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1279 1.7107 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1536 -1.7389 1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8165 -1.8533 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8695 -1.8979 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 -1.5866 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -1.4982 -1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 -0.0245 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1463 1.0643 -1.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 0.8930 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 0.0890 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -1.0801 -1.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 -2.0903 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 -2.7964 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 -2.3352 -0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 1.3754 -1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 3.4901 0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 4.1364 2.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8806 2.4856 4.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9005 0.1673 3.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8725 -0.5278 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0478 -1.1417 -2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1510 -2.1038 -3.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3054 -1.1456 -2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3655 0.7129 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3331 1.6085 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0746 -0.7354 1.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -2.5413 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 -0.8113 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 -2.2111 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1819 2.1014 0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5537 2.2200 -0.3227 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 2 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 19 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 17 32 1 0 32 33 1 0 8 34 1 0 34 35 2 0 35 5 1 0 33 14 1 0 25 20 1 0 31 26 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 4 44 1 0 6 45 1 0 7 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 17 57 1 0 19 58 1 0 21 59 1 0 22 60 1 0 23 61 1 0 24 62 1 0 25 63 1 0 27 64 1 0 28 65 1 0 29 66 1 0 30 67 1 0 31 68 1 0 32 69 1 0 32 70 1 0 33 71 1 0 33 72 1 0 34 73 1 0 35 74 1 0 M END