@MOLECULE propyl nitrate 14 13 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2830 0.5653 0.0002 O.2 1 UNL1111111111 -0.3021 2 O 1.5890 -1.2429 -0.0015 O.2 1 UNL1111111111 -0.3839 3 O 2.4393 0.7722 0.0024 O.2 1 UNL1111111111 -0.3067 4 N 1.5470 -0.0349 0.0004 N.pl3 1 UNL1111111111 0.7172 5 C -2.0280 0.5807 -0.0053 C.3 1 UNL1111111111 -0.2691 6 C -0.8196 -0.3577 -0.0009 C.3 1 UNL1111111111 -0.0656 7 C -3.3145 -0.2384 0.0044 C.3 1 UNL1111111111 -0.4349 8 H -1.9898 1.2577 0.8721 H 1 UNL1111111111 0.1551 9 H -1.9941 1.2445 -0.8925 H 1 UNL1111111111 0.1548 10 H -0.7744 -0.9910 0.9017 H 1 UNL1111111111 0.1441 11 H -0.7700 -0.9946 -0.9009 H 1 UNL1111111111 0.1442 12 H -3.3873 -0.8743 0.8948 H 1 UNL1111111111 0.1482 13 H -4.1966 0.4146 0.0008 H 1 UNL1111111111 0.1505 14 H -3.3912 -0.8888 -0.8753 H 1 UNL1111111111 0.1481 @BOND 1 1 4 1 2 1 6 1 3 2 4 2 4 3 4 2 5 5 6 1 6 5 7 1 7 5 8 1 8 5 9 1 9 6 10 1 10 6 11 1 11 7 12 1 12 7 13 1 13 7 14 1