@MOLECULE [2-[(1S,2R)-2-methylcyclopropyl]acetyl] 3-methylbutanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.0926 0.1294 0.0588 C.3 1 UNL11111111 0.6021 2 C 4.1008 -0.8903 -1.0828 C.3 1 UNL11111111 -0.9926 3 C 5.2122 1.1565 -0.1352 C.3 1 UNL11111111 -1.1690 4 C 2.7360 0.8575 0.1204 C.3 1 UNL11111111 -0.6800 5 C 1.6517 -0.0869 0.5309 C.2 1 UNL11111111 0.3869 6 O 1.7176 -1.1046 1.1516 O.2 1 UNL11111111 -0.4103 7 O 0.4411 0.4555 0.1509 O.3 1 UNL11111111 -0.3022 8 C -0.7137 -0.2966 0.0489 C.2 1 UNL11111111 0.6071 9 O -0.6865 -1.4689 -0.1670 O.2 1 UNL11111111 -0.3028 10 C -1.8779 0.6360 0.1919 C.3 1 UNL11111111 -0.9996 11 C -3.1748 -0.1020 -0.0169 C.3 1 UNL11111111 0.2675 12 H -3.1977 -1.0770 0.4897 H 1 UNL11111111 0.0727 13 C -3.9111 0.0206 -1.3342 C.3 1 UNL11111111 -0.5152 14 C -4.4662 0.6972 -0.0990 C.3 1 UNL11111111 -0.1425 15 H -4.4017 1.7893 -0.0421 H 1 UNL11111111 0.1965 16 C -5.7052 0.1549 0.5586 C.3 1 UNL11111111 -0.7890 17 H 4.2555 -0.4109 1.0263 H 1 UNL11111111 0.0684 18 H 5.0683 -1.4005 -1.1522 H 1 UNL11111111 0.2320 19 H 3.3400 -1.6677 -0.9280 H 1 UNL11111111 0.3459 20 H 3.9056 -0.4216 -2.0525 H 1 UNL11111111 0.2712 21 H 5.0958 1.7097 -1.0735 H 1 UNL11111111 0.3211 22 H 5.2415 1.8853 0.6813 H 1 UNL11111111 0.2843 23 H 6.1925 0.6661 -0.1674 H 1 UNL11111111 0.3154 24 H 2.7771 1.6995 0.8446 H 1 UNL11111111 0.2508 25 H 2.5000 1.3270 -0.8581 H 1 UNL11111111 0.2633 26 H -1.8558 1.1012 1.2049 H 1 UNL11111111 0.2975 27 H -1.7671 1.4884 -0.5155 H 1 UNL11111111 0.3716 28 H -3.4956 0.6186 -2.1381 H 1 UNL11111111 0.2086 29 H -4.4108 -0.8515 -1.7468 H 1 UNL11111111 0.2109 30 H -5.7664 -0.9395 0.5009 H 1 UNL11111111 0.2616 31 H -5.7416 0.4262 1.6220 H 1 UNL11111111 0.2262 32 H -6.6123 0.5538 0.0853 H 1 UNL11111111 0.2417 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 10 11 1 11 11 12 1 12 11 13 1 13 13 14 1 14 14 15 1 15 11 14 1 16 14 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 10 26 1 27 10 27 1 28 13 28 1 29 13 29 1 30 16 30 1 31 16 31 1 32 16 32 1