HMDB0030533 RDKit 3D Alline 28 30 0 0 0 0 0 0 0 0999 V2000 -2.8244 -1.2657 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3026 -0.0305 -0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 1.0609 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 1.1058 1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 1.0079 -0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 2.2058 -0.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 0.4706 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 1.0403 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5424 0.2888 0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 -1.0633 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -1.6452 -0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 -0.8916 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 -1.2604 -0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 -0.0951 -0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7888 -1.0542 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 -1.7970 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0439 -1.9345 -0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 0.9228 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5139 2.0179 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8365 0.2432 1.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8392 2.0803 1.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 2.3083 -1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 2.0956 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 0.7322 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 -1.6659 0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 -2.7208 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 -2.2463 -0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8705 0.0902 -1.9588 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 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 2 1 0 14 5 1 0 12 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 14 28 1 0 M END