HMDB0259364 RDKit 3D N-(4-((1R)-4-(Ethylheptylamino)-1-hydroxybutyl)phenyl)methanesulfonamide 62 62 0 0 0 0 0 0 0 0999 V2000 -7.5622 1.9649 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8962 0.7594 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1870 -0.0339 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5675 -1.2300 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8133 -2.1401 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6465 -1.7043 1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3374 -1.3795 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.4510 -0.0337 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -0.9930 -1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 0.0777 -2.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 -0.1126 -0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1385 0.6764 1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 1.0162 0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 -0.1784 0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 -1.0279 -0.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 0.2482 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 0.6254 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5319 1.0054 -0.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 1.0183 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6804 1.3981 0.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7759 0.7744 -0.6197 S 0 0 0 0 0 6 0 0 0 0 0 0 8.3888 1.2007 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1609 1.2602 -0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7854 -0.7467 -0.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 0.6355 1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4161 0.2588 1.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6937 1.8121 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6051 2.0801 -0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0284 2.8912 -0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6405 0.1652 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1316 1.0594 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8922 -0.3404 1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3698 0.5933 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4563 -1.8005 -0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0448 -0.8200 -0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4978 -3.0201 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 -2.6876 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9885 -0.8598 2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 -2.5450 2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7459 -0.9637 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -2.3303 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -1.6119 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 -1.7456 -1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5021 0.0505 -3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5569 1.0890 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 -0.1728 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1838 -1.1234 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 0.4414 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 0.1284 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 1.6533 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 1.5614 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6565 1.6683 1.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -0.7881 1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.6893 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5936 0.6183 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 1.2929 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9912 2.0671 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9626 2.2386 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7855 0.4643 -2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3499 1.2662 -2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 0.6493 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9807 -0.0363 2.7623 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 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 21 24 2 0 19 25 1 0 25 26 2 0 26 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 10 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 14 53 1 0 15 54 1 0 17 55 1 0 18 56 1 0 20 57 1 0 22 58 1 0 22 59 1 0 22 60 1 0 25 61 1 0 26 62 1 0 M END