HMDB0040241 RDKit 3D 1-(2-Thienyl)-1-heptanone 29 29 0 0 0 0 0 0 0 0999 V2000 -4.5653 1.0148 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 0.3177 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -0.4263 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 -1.1759 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 -0.2104 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 -0.8832 0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 0.1877 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 0.9468 2.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1262 0.4087 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -0.3007 -0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9566 0.0660 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5241 1.1148 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 1.5550 1.0596 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6805 1.9728 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 1.2635 -0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4726 0.3841 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7073 1.0741 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -0.4314 1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 -1.1363 -0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 0.2750 -1.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 -1.9374 0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -1.7559 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 0.2297 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1758 0.5390 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3326 -1.3925 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -1.6348 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -1.1451 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5084 -0.4526 -1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 1.5328 -0.2390 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 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 9 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 M END