@MOLECULE 3-methylbutanoyl (1S,2S)-2-methylcyclopropanecarboxylate 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7248 -0.0991 -0.0670 C.3 1 UNL11111111 -0.0781 2 H 3.7213 -1.0989 -0.5291 H 1 UNL11111111 0.1726 3 C 4.7655 0.8141 -0.6489 C.3 1 UNL11111111 -0.4408 4 C 3.3533 0.0008 1.3898 C.3 1 UNL11111111 -0.2991 5 C 2.3729 0.4883 0.3384 C.3 1 UNL11111111 -0.2916 6 H 2.2045 1.5673 0.2281 H 1 UNL11111111 0.1931 7 C 1.1745 -0.3382 0.0844 C.2 1 UNL11111111 0.6524 8 O 1.0781 -1.5301 0.0410 O.2 1 UNL11111111 -0.4460 9 O 0.0797 0.4857 -0.0327 O.3 1 UNL11111111 -0.5519 10 C -1.1038 0.0660 -0.6153 C.2 1 UNL11111111 0.6430 11 O -1.1232 -0.7824 -1.4542 O.2 1 UNL11111111 -0.4291 12 C -2.2146 0.9096 -0.0766 C.3 1 UNL11111111 -0.3677 13 C -3.5382 0.1200 -0.0862 C.3 1 UNL11111111 -0.0392 14 C -3.4569 -1.0787 0.8625 C.3 1 UNL11111111 -0.4614 15 C -4.6838 1.0499 0.3253 C.3 1 UNL11111111 -0.4573 16 H 5.7723 0.3885 -0.5328 H 1 UNL11111111 0.1562 17 H 4.5986 0.9720 -1.7243 H 1 UNL11111111 0.1578 18 H 4.7768 1.8036 -0.1751 H 1 UNL11111111 0.1497 19 H 3.1284 -0.9056 1.9512 H 1 UNL11111111 0.1720 20 H 3.8409 0.7281 2.0336 H 1 UNL11111111 0.1628 21 H -1.9815 1.2667 0.9489 H 1 UNL11111111 0.1823 22 H -2.3045 1.8289 -0.6940 H 1 UNL11111111 0.1780 23 H -3.7246 -0.2557 -1.1246 H 1 UNL11111111 0.1492 24 H -2.6620 -1.7752 0.5611 H 1 UNL11111111 0.1605 25 H -3.2551 -0.7721 1.8938 H 1 UNL11111111 0.1456 26 H -4.3941 -1.6466 0.8643 H 1 UNL11111111 0.1489 27 H -4.7751 1.9068 -0.3501 H 1 UNL11111111 0.1425 28 H -5.6439 0.5205 0.3102 H 1 UNL11111111 0.1492 29 H -4.5441 1.4390 1.3402 H 1 UNL11111111 0.1462 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 1 5 1 7 5 7 1 8 7 8 2 9 7 9 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 12 21 1 22 12 22 1 23 13 23 1 24 14 24 1 25 14 25 1 26 14 26 1 27 15 27 1 28 15 28 1 29 15 29 1