HMDB0015562 RDKit 3D Isopropamide 59 60 0 0 0 0 0 0 0 0999 V2000 -3.2322 -2.0806 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9627 -0.6108 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.6186 1.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 0.0111 -0.5224 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2154 -0.6869 -1.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7181 0.0335 -0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2378 -0.0326 -1.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 -0.0237 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4987 -0.0743 -2.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -0.1902 -2.0907 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9525 -0.0162 -3.2494 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 1.1292 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6758 2.2060 -0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0442 3.3324 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7373 3.3252 1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 2.2533 2.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 1.1717 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -1.2935 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2874 -1.3660 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 -2.5466 1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 -3.6503 1.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 -3.5553 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -2.3617 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 1.3880 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 2.1872 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 1.4775 -1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9784 -2.1876 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 -2.6275 -0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6881 -2.5210 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9806 -0.1440 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 0.2739 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8111 -1.4945 2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 -0.6556 2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -0.0718 -2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2906 -0.8460 -2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 -1.6736 -1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -0.6851 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 1.0375 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -0.8436 -1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 0.9039 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5785 0.5229 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 -1.1093 -2.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9365 2.2574 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5548 4.1730 -0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 4.1764 2.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8619 2.2705 3.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 0.3444 1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9819 -0.5133 0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6006 -2.5932 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 -4.5777 1.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9456 -4.4110 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -2.3843 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 1.9246 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 2.5130 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4866 1.7174 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 3.1395 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 0.7899 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 1.3803 -2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1347 2.5067 -1.5000 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 0 8 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 8 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 4 24 1 0 24 25 1 0 24 26 1 0 17 12 1 0 23 18 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 5 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 10 41 1 0 10 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 22 51 1 0 23 52 1 0 24 53 1 0 25 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 26 58 1 0 26 59 1 0 M CHG 1 4 1 M END