@MOLECULE (2s)-2-octanol 27 26 0 0 0 SMALL GASTEIGER @ATOM 1 H 5.7273 0.1653 0.1737 H 1 UNL1111111111 0.1392 2 C 4.8134 -0.3254 -0.1783 C.3 1 UNL1111111111 -0.4402 3 H 4.8679 -0.3782 -1.2711 H 1 UNL1111111111 0.1416 4 H 4.8236 -1.3528 0.2024 H 1 UNL1111111111 0.1431 5 C 3.5665 0.4284 0.2839 C.3 1 UNL1111111111 -0.2517 6 H 3.5554 0.4983 1.3879 H 1 UNL1111111111 0.1341 7 H 3.5968 1.4707 -0.0855 H 1 UNL1111111111 0.1317 8 C 2.2909 -0.2665 -0.2113 C.3 1 UNL1111111111 -0.2700 9 H 2.2975 -0.3253 -1.3153 H 1 UNL1111111111 0.1351 10 H 2.2655 -1.3126 0.1471 H 1 UNL1111111111 0.1388 11 C 1.0429 0.4836 0.2706 C.3 1 UNL1111111111 -0.2748 12 H 1.0193 0.5055 1.3763 H 1 UNL1111111111 0.1377 13 H 1.0861 1.5392 -0.0551 H 1 UNL1111111111 0.1333 14 C -0.2309 -0.1805 -0.2653 C.3 1 UNL1111111111 -0.2658 15 H -0.1972 -0.2341 -1.3687 H 1 UNL1111111111 0.1325 16 H -0.2957 -1.2297 0.0880 H 1 UNL1111111111 0.1551 17 C -1.4746 0.5884 0.1937 C.3 1 UNL1111111111 -0.3021 18 H -1.5240 0.5972 1.3011 H 1 UNL1111111111 0.1575 19 H -1.4182 1.6435 -0.1265 H 1 UNL1111111111 0.1394 20 C -2.7478 -0.0636 -0.3623 C.3 1 UNL1111111111 0.1806 21 H -2.6361 -0.3333 -1.4363 H 1 UNL1111111111 0.1118 22 O -2.8718 -1.2775 0.3657 O.3 1 UNL1111111111 -0.5693 23 H -3.7453 -1.6825 0.2252 H 1 UNL1111111111 0.3106 24 C -3.9816 0.8115 -0.1362 C.3 1 UNL1111111111 -0.5127 25 H -4.1519 0.9776 0.9350 H 1 UNL1111111111 0.1624 26 H -3.8700 1.7923 -0.6099 H 1 UNL1111111111 0.1554 27 H -4.8858 0.3501 -0.5451 H 1 UNL1111111111 0.1467 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 5 7 1 7 5 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 14 16 1 16 14 17 1 17 17 18 1 18 17 19 1 19 17 20 1 20 20 21 1 21 20 22 1 22 20 24 1 23 22 23 1 24 24 25 1 25 24 26 1 26 24 27 1