@MOLECULE s-1,2-propanediol 13 12 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.9108 0.1745 -0.7106 C.3 1 UNL1111111111 -0.0587 2 C -0.6033 -0.0226 -0.4916 C.3 1 UNL1111111111 0.1353 3 C -1.2121 1.1209 0.3093 C.3 1 UNL1111111111 -0.5021 4 O 1.5857 0.1345 0.5293 O.3 1 UNL1111111111 -0.5353 5 O -0.7908 -1.2607 0.1652 O.3 1 UNL1111111111 -0.5624 6 H 1.3243 -0.5967 -1.3826 H 1 UNL1111111111 0.1251 7 H 1.1468 1.1789 -1.1044 H 1 UNL1111111111 0.1450 8 H -1.1309 -0.1835 -1.4600 H 1 UNL1111111111 0.1395 9 H -1.2818 2.0387 -0.2847 H 1 UNL1111111111 0.1561 10 H -2.2245 0.8698 0.6499 H 1 UNL1111111111 0.1588 11 H -0.6051 1.3553 1.1952 H 1 UNL1111111111 0.1670 12 H 1.5930 -0.7832 0.8734 H 1 UNL1111111111 0.3132 13 H -0.6590 -1.1704 1.1288 H 1 UNL1111111111 0.3183 @BOND 1 1 2 1 2 1 4 1 3 1 6 1 4 1 7 1 5 2 3 1 6 2 5 1 7 2 8 1 8 3 9 1 9 3 10 1 10 3 11 1 11 4 12 1 12 5 13 1