@MOLECULE 1-methoxybutane 18 17 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1335 -0.2853 -0.0038 C.3 1 UNL11111111 -0.4353 2 C -1.8532 0.5502 -0.0024 C.3 1 UNL11111111 -0.2490 3 C -0.6175 -0.3540 0.0063 C.3 1 UNL11111111 -0.2952 4 C 0.6622 0.4871 0.0060 C.3 1 UNL11111111 -0.0482 5 H -4.0244 0.3520 -0.0104 H 1 UNL11111111 0.1401 6 H -3.1864 -0.9356 -0.8845 H 1 UNL11111111 0.1444 7 H -3.1940 -0.9270 0.8828 H 1 UNL11111111 0.1444 8 H -1.8350 1.2123 -0.8891 H 1 UNL11111111 0.1338 9 H -1.8417 1.2200 0.8787 H 1 UNL11111111 0.1338 10 H -0.6253 -1.0216 0.8894 H 1 UNL11111111 0.1524 11 H -0.6198 -1.0301 -0.8706 H 1 UNL11111111 0.1528 12 O 1.7057 -0.4819 -0.0004 O.3 1 UNL11111111 -0.3826 13 H 0.7413 1.1209 -0.8934 H 1 UNL11111111 0.1138 14 H 0.7457 1.1148 0.9090 H 1 UNL11111111 0.1138 15 C 2.9944 0.0990 -0.0050 C.3 1 UNL11111111 -0.2022 16 H 3.6593 -0.7742 -0.0154 H 1 UNL11111111 0.1448 17 H 3.1507 0.7043 -0.9029 H 1 UNL11111111 0.1192 18 H 3.1619 0.6914 0.8995 H 1 UNL11111111 0.1192 @BOND 1 17 15 1 2 13 4 1 3 8 2 1 4 6 1 1 5 11 3 1 6 16 15 1 7 5 1 1 8 15 12 1 9 15 18 1 10 1 2 1 11 1 7 1 12 2 3 1 13 2 9 1 14 12 4 1 15 4 3 1 16 4 14 1 17 3 10 1