@MOLECULE (3s)-1-octen-3-ol 25 24 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.0325 0.2985 0.4248 C.2 1 UNL1111 -0.2927 2 O 1.8281 -1.3511 0.1754 O.3 1 UNL1111 -0.5484 3 C 2.9399 0.7591 -0.1801 C.2 1 UNL1111 -0.2013 4 C 1.7366 -0.0956 -0.4637 C.3 1 UNL1111 0.1469 5 C 0.4465 0.6228 -0.0322 C.3 1 UNL1111 -0.3322 6 C -0.7782 -0.2388 -0.3555 C.3 1 UNL1111 -0.2647 7 C -2.0576 0.4190 0.1741 C.3 1 UNL1111 -0.2730 8 C -3.2912 -0.4170 -0.1921 C.3 1 UNL1111 -0.2504 9 C -4.5700 0.2510 0.3133 C.3 1 UNL1111 -0.4408 10 H 4.9027 0.9031 0.6280 H 1 UNL1111 0.1423 11 H 4.1464 -0.7263 0.7518 H 1 UNL1111 0.1551 12 H 1.8160 -1.2499 1.1474 H 1 UNL1111 0.3126 13 H 2.8545 1.7892 -0.5213 H 1 UNL1111 0.1468 14 H 1.7047 -0.3919 -1.5413 H 1 UNL1111 0.1521 15 H 0.4827 0.8444 1.0505 H 1 UNL1111 0.1449 16 H 0.3691 1.6020 -0.5391 H 1 UNL1111 0.1462 17 H -0.8536 -0.3999 -1.4472 H 1 UNL1111 0.1385 18 H -0.6548 -1.2489 0.0841 H 1 UNL1111 0.1528 19 H -1.9975 0.5398 1.2716 H 1 UNL1111 0.1355 20 H -2.1592 1.4402 -0.2378 H 1 UNL1111 0.1351 21 H -3.3447 -0.5529 -1.2889 H 1 UNL1111 0.1340 22 H -3.1999 -1.4339 0.2344 H 1 UNL1111 0.1359 23 H -5.4553 -0.3423 0.0590 H 1 UNL1111 0.1409 24 H -4.5563 0.3718 1.4022 H 1 UNL1111 0.1424 25 H -4.7029 1.2454 -0.1269 H 1 UNL1111 0.1414 @BOND 1 1 3 2 2 1 10 1 3 1 11 1 4 2 4 1 5 2 12 1 6 3 4 1 7 3 13 1 8 4 5 1 9 4 14 1 10 5 6 1 11 5 15 1 12 5 16 1 13 6 7 1 14 6 17 1 15 6 18 1 16 7 8 1 17 7 19 1 18 7 20 1 19 8 9 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 9 25 1