@MOLECULE acetyl 2-(1-methylcyclopropyl)acetate 23 23 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7261 1.0382 -0.0374 C.3 1 UNL111 -0.5121 2 C 2.6577 0.0024 -0.0817 C.2 1 UNL111 0.6626 3 O 2.7668 -1.1858 -0.1413 O.2 1 UNL111 -0.4393 4 O 1.4323 0.6271 -0.1350 O.3 1 UNL111 -0.5653 5 C 0.2527 -0.0242 0.1904 C.2 1 UNL111 0.6434 6 O 0.2393 -0.9416 0.9511 O.2 1 UNL111 -0.4154 7 C -0.8618 0.6970 -0.5025 C.3 1 UNL111 -0.3558 8 C -2.1958 0.0303 -0.2458 C.3 1 UNL111 0.0527 9 C -2.2982 -1.3544 -0.8269 C.3 1 UNL111 -0.4482 10 C -2.9159 0.3343 1.0555 C.3 1 UNL111 -0.3228 11 C -3.4324 0.9147 -0.2368 C.3 1 UNL111 -0.3432 12 H 4.0299 1.3278 -1.0567 H 1 UNL111 0.1866 13 H 3.4005 1.9564 0.4764 H 1 UNL111 0.1871 14 H 4.6201 0.6541 0.4799 H 1 UNL111 0.1866 15 H -0.8682 1.7617 -0.1753 H 1 UNL111 0.1846 16 H -0.6586 0.7420 -1.5974 H 1 UNL111 0.1875 17 H -1.5754 -2.0366 -0.3499 H 1 UNL111 0.1738 18 H -3.2916 -1.7952 -0.6776 H 1 UNL111 0.1533 19 H -2.0989 -1.3594 -1.9051 H 1 UNL111 0.1500 20 H -3.4685 -0.4564 1.5560 H 1 UNL111 0.1634 21 H -2.4517 0.9793 1.7947 H 1 UNL111 0.1574 22 H -3.3441 1.9789 -0.4258 H 1 UNL111 0.1536 23 H -4.3582 0.5415 -0.6646 H 1 UNL111 0.1594 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 8 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 7 15 1 16 7 16 1 17 9 17 1 18 9 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 11 22 1 23 11 23 1