HMDB0032329 RDKit 3D 2-Hexylthiophene 27 27 0 0 0 0 0 0 0 0999 V2000 -4.4281 -0.1008 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -0.4934 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0586 -0.1191 0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 -0.4987 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3408 -0.1430 -0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -0.5244 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 -0.1727 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 0.4067 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 0.6124 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 0.2271 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1577 -0.4108 -1.6032 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9142 0.2513 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 -0.9606 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1178 0.6893 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6264 0.0498 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5299 -1.6036 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7985 -0.6050 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 0.9891 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2706 0.0913 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 -1.5852 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 0.9851 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -0.5484 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -1.6110 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 0.0497 -2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 0.6940 1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9175 1.0734 1.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3616 0.3148 -0.5335 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 8 9 1 0 9 10 2 0 10 11 1 0 11 7 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 M END