@MOLECULE (2r)-2-pentanol 18 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.8367 0.1318 0.1913 C.3 1 UNL11111111 -0.4370 2 H 3.6782 -0.3790 -0.2891 H 1 UNL11111111 0.1401 3 H 2.9939 1.2102 0.0734 H 1 UNL11111111 0.1453 4 H 2.8828 -0.0921 1.2630 H 1 UNL11111111 0.1434 5 C 1.5028 -0.3070 -0.4139 C.3 1 UNL11111111 -0.2485 6 H 1.3890 -1.4034 -0.3179 H 1 UNL11111111 0.1318 7 H 1.4955 -0.0935 -1.5003 H 1 UNL11111111 0.1346 8 C 0.3366 0.4089 0.2725 C.3 1 UNL11111111 -0.3089 9 H 0.4442 1.5093 0.1727 H 1 UNL11111111 0.1626 10 H 0.3412 0.2171 1.3606 H 1 UNL11111111 0.1497 11 C -1.0097 -0.0104 -0.3352 C.3 1 UNL11111111 0.1829 12 H -0.9680 -0.0234 -1.4476 H 1 UNL11111111 0.1120 13 C -1.5248 -1.3386 0.2191 C.3 1 UNL11111111 -0.5096 14 H -0.7914 -2.1399 0.0771 H 1 UNL11111111 0.1568 15 H -1.7221 -1.2624 1.2960 H 1 UNL11111111 0.1619 16 H -2.4538 -1.6499 -0.2685 H 1 UNL11111111 0.1461 17 O -1.8893 1.0464 0.0289 O.3 1 UNL11111111 -0.5772 18 H -2.8194 0.7877 -0.0877 H 1 UNL11111111 0.3139 @BOND 1 7 5 1 2 12 11 1 3 5 6 1 4 5 1 1 5 5 8 1 6 11 17 1 7 11 13 1 8 11 8 1 9 2 1 1 10 16 13 1 11 18 17 1 12 3 1 1 13 14 13 1 14 9 8 1 15 1 4 1 16 13 15 1 17 8 10 1