@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] propanoate 26 26 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6813 0.5699 0.0048 C.3 1 UNL111 -0.4257 2 C 3.2681 1.1316 -0.0853 C.3 1 UNL111 -0.3269 3 C 2.2865 0.0125 -0.2613 C.2 1 UNL111 0.6409 4 O 2.4430 -1.0749 -0.7252 O.2 1 UNL111 -0.4239 5 O 1.0444 0.4670 0.1387 O.3 1 UNL111 -0.5685 6 C 0.0210 -0.3791 0.5074 C.2 1 UNL111 0.6433 7 O 0.2221 -1.5008 0.8611 O.2 1 UNL111 -0.4283 8 C -1.2614 0.3980 0.4763 C.3 1 UNL111 -0.3368 9 C -2.4197 -0.5377 0.2430 C.3 1 UNL111 -0.1594 10 H -2.3353 -1.4613 0.8361 H 1 UNL111 0.1758 11 C -3.0492 -0.6396 -1.1303 C.3 1 UNL111 -0.3367 12 C -3.8191 0.0106 -0.0015 C.3 1 UNL111 -0.1295 13 H -4.6537 -0.5525 0.4367 H 1 UNL111 0.1532 14 C -4.0825 1.4909 -0.0223 C.3 1 UNL111 -0.4341 15 H 4.8164 -0.0483 0.9023 H 1 UNL111 0.1566 16 H 4.9177 -0.0696 -0.8585 H 1 UNL111 0.1650 17 H 5.4284 1.3710 0.0389 H 1 UNL111 0.1493 18 H 3.0209 1.7328 0.8163 H 1 UNL111 0.1771 19 H 3.1727 1.8352 -0.9412 H 1 UNL111 0.1760 20 H -1.3857 0.9324 1.4464 H 1 UNL111 0.1836 21 H -1.2168 1.1998 -0.2935 H 1 UNL111 0.1827 22 H -2.6715 -0.0331 -1.9474 H 1 UNL111 0.1594 23 H -3.3555 -1.6117 -1.5067 H 1 UNL111 0.1614 24 H -5.0396 1.7124 -0.5141 H 1 UNL111 0.1503 25 H -4.1348 1.8988 0.9960 H 1 UNL111 0.1489 26 H -3.3116 2.0529 -0.5627 H 1 UNL111 0.1463 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 12 13 1 13 9 12 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 8 20 1 21 8 21 1 22 11 22 1 23 11 23 1 24 14 24 1 25 14 25 1 26 14 26 1