@MOLECULE 2-(5-hexene-1,3-diyn-1-yl)-5-(1-propyn-1-yl)thiophene 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.3848 0.7734 0.0022 S.2 1 UNL1111111111 0.2828 2 C 2.7025 -0.3763 0.0012 C.ar 1 UNL1111111111 -0.0840 3 C 2.2291 -1.6662 0.0031 C.ar 1 UNL1111111111 -0.1749 4 C 0.8055 -1.7428 0.0055 C.ar 1 UNL1111111111 -0.1357 5 C 0.1961 -0.5104 0.0046 C.ar 1 UNL1111111111 -0.1282 6 C 4.0196 0.0586 -0.0026 C.1 1 UNL1111111111 -0.1445 7 C -1.1592 -0.2321 0.0059 C.1 1 UNL1111111111 -0.0344 8 C 5.1720 0.4419 -0.0053 C.1 1 UNL1111111111 -0.0033 9 C 6.5250 0.8903 -0.0114 C.3 1 UNL1111111111 -0.4090 10 C -2.3552 0.0031 0.0063 C.1 1 UNL1111111111 -0.0323 11 C -3.6850 0.2526 0.0070 C.1 1 UNL1111111111 -0.0589 12 C -4.8836 0.4709 0.0076 C.1 1 UNL1111111111 -0.0346 13 C -6.2631 0.7320 0.0085 C.2 1 UNL1111111111 -0.1121 14 C -7.1816 -0.2411 -0.0297 C.2 1 UNL1111111111 -0.2600 15 H 2.8579 -2.5443 0.0031 H 1 UNL1111111111 0.1700 16 H 0.2752 -2.6848 0.0073 H 1 UNL1111111111 0.1706 17 H 6.5986 1.9904 0.0808 H 1 UNL1111111111 0.1732 18 H 7.1064 0.4581 0.8253 H 1 UNL1111111111 0.1736 19 H 7.0507 0.6079 -0.9442 H 1 UNL1111111111 0.1738 20 H -6.5427 1.7924 0.0429 H 1 UNL1111111111 0.1670 21 H -8.2446 -0.0528 -0.0298 H 1 UNL1111111111 0.1474 22 H -6.9362 -1.2931 -0.0641 H 1 UNL1111111111 0.1533 @BOND 1 1 2 ar 2 1 5 ar 3 2 3 ar 4 2 6 1 5 3 4 ar 6 3 15 1 7 4 5 ar 8 4 16 1 9 5 7 1 10 6 8 3 11 7 10 3 12 8 9 1 13 9 17 1 14 9 18 1 15 9 19 1 16 10 11 1 17 11 12 3 18 12 13 1 19 13 14 2 20 13 20 1 21 14 21 1 22 14 22 1