@MOLECULE 1,3-pentanediol 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6419 -1.3696 0.2124 O.3 1 UNL1111111111 -0.5582 2 O 3.1414 0.2552 0.1062 O.3 1 UNL1111111111 -0.5504 3 C -0.5893 -0.0409 -0.2586 C.3 1 UNL1111111111 0.1668 4 C 0.7488 0.5962 0.1421 C.3 1 UNL1111111111 -0.3999 5 C -1.7745 0.7720 0.2846 C.3 1 UNL1111111111 -0.3159 6 C 1.9092 -0.2900 -0.3190 C.3 1 UNL1111111111 0.0201 7 C -3.0924 0.2019 -0.2334 C.3 1 UNL1111111111 -0.4305 8 H -0.6617 -0.1880 -1.3608 H 1 UNL1111111111 0.1424 9 H 0.8060 0.7354 1.2384 H 1 UNL1111111111 0.1598 10 H 0.8359 1.6084 -0.2905 H 1 UNL1111111111 0.1480 11 H -1.6752 1.8329 -0.0107 H 1 UNL1111111111 0.1441 12 H -1.7663 0.7638 1.3907 H 1 UNL1111111111 0.1414 13 H 1.8946 -1.2837 0.1704 H 1 UNL1111111111 0.1545 14 H 1.9268 -0.4236 -1.4142 H 1 UNL1111111111 0.1139 15 H -3.1886 0.3259 -1.3180 H 1 UNL1111111111 0.1430 16 H -3.9537 0.6901 0.2342 H 1 UNL1111111111 0.1401 17 H -3.1646 -0.8749 -0.0250 H 1 UNL1111111111 0.1584 18 H -0.6689 -1.4021 1.1874 H 1 UNL1111111111 0.3148 19 H 3.2854 1.1386 -0.2801 H 1 UNL1111111111 0.3075 @BOND 1 1 3 1 2 1 18 1 3 2 6 1 4 2 19 1 5 3 4 1 6 3 5 1 7 3 8 1 8 4 6 1 9 4 9 1 10 4 10 1 11 5 7 1 12 5 11 1 13 5 12 1 14 6 13 1 15 6 14 1 16 7 15 1 17 7 16 1 18 7 17 1