HMDB0061719 RDKit 3D Dimethylthiambutene 34 35 0 0 0 0 0 0 0 0999 V2000 -2.5299 -1.4136 0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 -0.2779 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1972 -0.7982 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 -0.2876 0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1064 -1.1078 -0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.3739 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -2.8812 -1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -2.0851 -1.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 -0.6555 -0.5599 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4101 1.0542 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 2.1044 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4368 3.2186 1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7799 3.2063 1.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0362 1.6624 0.5462 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0786 0.6961 -0.2712 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2849 1.2287 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3281 0.1535 -1.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -2.0362 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 -2.0429 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -0.9936 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4543 0.1218 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2728 -1.8382 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 -2.9440 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3204 -3.9146 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4037 -2.3347 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3742 2.0618 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 4.1162 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4874 4.0364 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 1.0171 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3038 2.3186 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1872 0.8097 -0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1030 -0.6256 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -0.1839 -2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 0.9887 -2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 2 15 1 0 15 16 1 0 15 17 1 0 9 5 1 0 14 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 16 29 1 0 16 30 1 0 16 31 1 0 17 32 1 0 17 33 1 0 17 34 1 0 M END