@MOLECULE propanoyl cyclopropanecarboxylate 20 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0848 0.6518 -0.8572 C.3 1 UNL11111111 -0.2767 2 C -3.4126 0.1289 0.5130 C.3 1 UNL11111111 -0.2752 3 C -2.0288 0.6844 0.2337 C.3 1 UNL11111111 -0.2618 4 C -0.9104 -0.2848 0.1283 C.2 1 UNL11111111 0.6390 5 O -0.9563 -1.4757 0.0524 O.2 1 UNL11111111 -0.4222 6 O 0.2640 0.4314 0.1393 O.3 1 UNL11111111 -0.5532 7 C 1.5180 -0.1248 -0.0249 C.2 1 UNL11111111 0.6276 8 O 1.6980 -1.2877 -0.2112 O.2 1 UNL11111111 -0.4137 9 C 2.5075 1.0000 0.0613 C.3 1 UNL11111111 -0.3229 10 C 3.9269 0.4520 -0.0082 C.3 1 UNL11111111 -0.4240 11 H -2.9779 -0.0440 -1.6893 H 1 UNL11111111 0.1706 12 H -3.5131 1.5884 -1.2060 H 1 UNL11111111 0.1612 13 H -4.0851 0.6788 1.1663 H 1 UNL11111111 0.1607 14 H -3.5335 -0.9456 0.6651 H 1 UNL11111111 0.1780 15 H -1.7374 1.6512 0.6643 H 1 UNL11111111 0.1902 16 H 2.3183 1.7248 -0.7605 H 1 UNL11111111 0.1769 17 H 2.3479 1.5765 0.9986 H 1 UNL11111111 0.1774 18 H 4.1471 -0.2095 0.8408 H 1 UNL11111111 0.1584 19 H 4.0891 -0.1418 -0.9193 H 1 UNL11111111 0.1616 20 H 4.6671 1.2598 -0.0012 H 1 UNL11111111 0.1480 @BOND 1 1 2 1 2 2 3 1 3 1 3 1 4 3 4 1 5 4 5 2 6 4 6 1 7 6 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 1 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 3 15 1 16 9 16 1 17 9 17 1 18 10 18 1 19 10 19 1 20 10 20 1