HMDB0256870 RDKit 3D Prothipendyl 39 41 0 0 0 0 0 0 0 0999 V2000 -3.6718 0.3143 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 0.3651 0.0145 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 0.8632 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1041 -0.9074 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 -1.4360 0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 -0.6229 1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9851 -0.1878 0.4712 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0063 -1.0630 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 -2.3904 0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8253 -3.3348 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 -2.9872 -0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0491 -1.6965 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -0.7557 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2997 0.9143 -1.2804 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9416 1.8287 -0.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 3.1679 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 3.9702 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0968 3.3087 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 2.0176 0.5516 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 1.1910 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2389 0.5695 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 -0.6917 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4204 1.1133 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 0.1124 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6146 1.2955 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 1.7062 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 -1.6789 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 -0.7808 -1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2075 -2.5418 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9867 -1.3054 1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 0.2845 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 -1.0958 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -2.6165 1.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6603 -4.3393 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -3.7333 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 -1.3657 -1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 3.6475 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 5.0248 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9559 3.8362 0.7077 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 7 1 0 13 8 1 0 20 15 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 12 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 M END