@MOLECULE 7-sulfanylheptanoic acid 24 23 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.0659 0.2439 0.0144 S.3 1 UNL1111111111 -0.2050 2 O 5.0535 0.7788 0.0086 O.3 1 UNL1111111111 -0.5735 3 O 4.1610 -1.2607 0.0174 O.2 1 UNL1111111111 -0.5067 4 C 0.1971 0.5103 -0.0118 C.3 1 UNL1111111111 -0.2687 5 C -0.9836 -0.4691 -0.0189 C.3 1 UNL1111111111 -0.2712 6 C 1.5214 -0.2599 -0.0190 C.3 1 UNL1111111111 -0.2549 7 C -2.3171 0.2937 -0.0026 C.3 1 UNL1111111111 -0.2695 8 C 2.7122 0.7025 -0.0077 C.3 1 UNL1111111111 -0.3479 9 C -3.4810 -0.6937 -0.0088 C.3 1 UNL1111111111 -0.3046 10 C 3.9898 -0.0711 0.0070 C.2 1 UNL1111111111 0.6463 11 H 0.1396 1.1667 0.8770 H 1 UNL1111111111 0.1398 12 H 0.1383 1.1808 -0.8900 H 1 UNL1111111111 0.1398 13 H -0.9216 -1.1441 0.8558 H 1 UNL1111111111 0.1411 14 H -0.9297 -1.1215 -0.9110 H 1 UNL1111111111 0.1410 15 H 1.5770 -0.9229 -0.9060 H 1 UNL1111111111 0.1536 16 H 1.5752 -0.9414 0.8543 H 1 UNL1111111111 0.1544 17 H -2.3580 0.9502 0.8903 H 1 UNL1111111111 0.1503 18 H -2.3672 0.9723 -0.8782 H 1 UNL1111111111 0.1502 19 H 2.6880 1.3779 -0.8910 H 1 UNL1111111111 0.1818 20 H 2.6696 1.3802 0.8731 H 1 UNL1111111111 0.1819 21 H -3.4424 -1.3364 -0.9066 H 1 UNL1111111111 0.1537 22 H -3.4308 -1.3604 0.8710 H 1 UNL1111111111 0.1538 23 H -5.9269 -0.7808 0.0074 H 1 UNL1111111111 0.1578 24 H 5.9284 0.3209 0.0214 H 1 UNL1111111111 0.3564 @BOND 1 1 9 1 2 1 23 1 3 2 10 1 4 2 24 1 5 3 10 2 6 4 5 1 7 4 6 1 8 4 11 1 9 4 12 1 10 5 7 1 11 5 13 1 12 5 14 1 13 6 8 1 14 6 15 1 15 6 16 1 16 7 9 1 17 7 17 1 18 7 18 1 19 8 10 1 20 8 19 1 21 8 20 1 22 9 21 1 23 9 22 1