@MOLECULE propyl hydrogen carbonate 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2815 -0.5423 0.0073 O.3 1 UNL1111111111 -0.3611 2 O 2.4625 -0.8389 -0.0065 O.3 1 UNL1111111111 -0.4940 3 O 1.6660 1.2831 0.0000 O.2 1 UNL1111111111 -0.5529 4 C -2.0446 -0.5814 0.0033 C.3 1 UNL1111111111 -0.2770 5 C -0.8471 0.3654 0.0050 C.3 1 UNL1111111111 -0.0174 6 C -3.3408 0.2224 -0.0081 C.3 1 UNL1111111111 -0.4346 7 C 1.4732 0.0919 0.0005 C.2 1 UNL1111111111 0.7402 8 H -1.9943 -1.2580 -0.8738 H 1 UNL1111111111 0.1557 9 H -2.0039 -1.2481 0.8882 H 1 UNL1111111111 0.1554 10 H -0.7928 0.9983 -0.8973 H 1 UNL1111111111 0.1413 11 H -0.7960 0.9977 0.9082 H 1 UNL1111111111 0.1412 12 H -3.4162 0.8619 -0.8956 H 1 UNL1111111111 0.1473 13 H -4.2148 -0.4411 -0.0115 H 1 UNL1111111111 0.1493 14 H -3.4289 0.8681 0.8739 H 1 UNL1111111111 0.1473 15 H 3.3562 -0.3929 -0.0129 H 1 UNL1111111111 0.3593 @BOND 1 1 5 1 2 1 7 1 3 2 7 1 4 2 15 1 5 3 7 2 6 4 5 1 7 4 6 1 8 4 8 1 9 4 9 1 10 5 10 1 11 5 11 1 12 6 12 1 13 6 13 1 14 6 14 1