@MOLECULE (2s)-2-pentanol 18 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7062 0.0181 0.0983 C.3 1 UNL1111111 -0.4421 2 H 3.3333 0.0988 0.9930 H 1 UNL1111111 0.1404 3 H 2.9391 -0.9406 -0.3791 H 1 UNL1111111 0.1441 4 H 3.0075 0.8140 -0.5908 H 1 UNL1111111 0.1390 5 C 1.2228 0.1163 0.4546 C.3 1 UNL1111111 -0.2393 6 H 1.0227 1.0667 0.9817 H 1 UNL1111111 0.1288 7 H 0.9452 -0.6910 1.1633 H 1 UNL1111111 0.1540 8 C 0.3506 0.0073 -0.8012 C.3 1 UNL1111111 -0.3011 9 H 0.6133 -0.9218 -1.3478 H 1 UNL1111111 0.1531 10 H 0.5583 0.8448 -1.4904 H 1 UNL1111111 0.1376 11 C -1.1494 -0.0310 -0.4716 C.3 1 UNL1111111 0.1793 12 H -1.7458 -0.1857 -1.4018 H 1 UNL1111111 0.1086 13 C -1.6426 1.2008 0.2874 C.3 1 UNL1111111 -0.5097 14 H -1.3578 2.1251 -0.2268 H 1 UNL1111111 0.1572 15 H -2.7320 1.2020 0.3928 H 1 UNL1111111 0.1459 16 H -1.2123 1.2406 1.2962 H 1 UNL1111111 0.1625 17 O -1.3178 -1.2020 0.3149 O.3 1 UNL1111111 -0.5700 18 H -2.1799 -1.2006 0.7659 H 1 UNL1111111 0.3117 @BOND 1 10 8 1 2 12 11 1 3 9 8 1 4 8 11 1 5 8 5 1 6 4 1 1 7 11 13 1 8 11 17 1 9 3 1 1 10 14 13 1 11 1 5 1 12 1 2 1 13 13 15 1 14 13 16 1 15 17 18 1 16 5 6 1 17 5 7 1