@MOLECULE [2-[(1S,2R)-2-methylcyclopropyl]acetyl] butanoate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5539 -1.0454 0.1090 C.3 1 UNL11111111 -0.7357 2 C 4.4359 -0.0207 -0.0657 C.3 1 UNL11111111 -0.0592 3 C 3.0630 -0.6867 0.0707 C.3 1 UNL11111111 -0.4131 4 C 1.9782 0.3144 -0.1812 C.2 1 UNL11111111 0.3802 5 O 2.0578 1.4392 -0.5718 O.2 1 UNL11111111 -0.2678 6 O 0.7696 -0.3060 0.0506 O.3 1 UNL11111111 -0.4935 7 C -0.4287 0.3758 0.1522 C.2 1 UNL11111111 0.6071 8 O -0.4839 1.5391 0.4038 O.2 1 UNL11111111 -0.4008 9 C -1.5276 -0.6231 -0.0550 C.3 1 UNL11111111 -0.3379 10 C -2.8690 0.0631 -0.0589 C.3 1 UNL11111111 -0.4670 11 H -2.8713 0.9909 -0.6476 H 1 UNL11111111 0.3686 12 C -3.7527 0.0102 1.1692 C.3 1 UNL11111111 -0.6733 13 C -4.1258 -0.7940 -0.0575 C.3 1 UNL11111111 0.1047 14 H -4.0061 -1.8820 -0.0095 H 1 UNL11111111 0.1756 15 C -5.2992 -0.3789 -0.9013 C.3 1 UNL11111111 -0.9592 16 H 6.5395 -0.5706 0.0266 H 1 UNL11111111 0.2162 17 H 5.5090 -1.5325 1.0896 H 1 UNL11111111 0.2286 18 H 5.5074 -1.8306 -0.6542 H 1 UNL11111111 0.1910 19 H 4.5394 0.7932 0.6804 H 1 UNL11111111 0.0801 20 H 4.5224 0.4779 -1.0530 H 1 UNL11111111 0.1544 21 H 2.9618 -1.5346 -0.6411 H 1 UNL11111111 0.2556 22 H 2.9420 -1.1399 1.0779 H 1 UNL11111111 0.1981 23 H -1.3681 -1.1618 -1.0179 H 1 UNL11111111 0.2239 24 H -1.4663 -1.4118 0.7276 H 1 UNL11111111 0.2174 25 H -3.4123 -0.4967 2.0660 H 1 UNL11111111 0.2684 26 H -4.3341 0.8867 1.4424 H 1 UNL11111111 0.2968 27 H -5.4017 0.7116 -0.9706 H 1 UNL11111111 0.2898 28 H -5.2056 -0.7615 -1.9267 H 1 UNL11111111 0.2676 29 H -6.2404 -0.7662 -0.4890 H 1 UNL11111111 0.2837 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 1 11 10 12 1 12 12 13 1 13 13 14 1 14 10 13 1 15 13 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 9 23 1 24 9 24 1 25 12 25 1 26 12 26 1 27 15 27 1 28 15 28 1 29 15 29 1