@MOLECULE [2-[(1S,2R)-2-methylcyclopropyl]acetyl] (2S)-2-methylbutanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6783 -1.6918 0.6456 C.3 1 UNL1111111 -0.7355 2 C 3.7646 -0.4756 0.7691 C.3 1 UNL1111111 -0.2714 3 C 2.8260 -0.3530 -0.4445 C.3 1 UNL1111111 0.0801 4 H 2.3668 -1.3511 -0.6624 H 1 UNL1111111 0.1728 5 C 3.5456 0.1619 -1.6905 C.3 1 UNL1111111 -0.7482 6 C 1.7509 0.6459 -0.0906 C.2 1 UNL1111111 0.2281 7 O 1.8578 1.7710 0.2942 O.2 1 UNL1111111 -0.2969 8 O 0.5196 0.0866 -0.3588 O.3 1 UNL1111111 -0.3231 9 C -0.6400 0.5244 0.2487 C.2 1 UNL1111111 0.4433 10 O -0.6322 1.0137 1.3371 O.2 1 UNL1111111 -0.2759 11 C -1.7936 0.2153 -0.6561 C.3 1 UNL1111111 -0.5741 12 C -3.0421 -0.0179 0.1551 C.3 1 UNL1111111 -0.1035 13 H -3.1770 0.7287 0.9511 H 1 UNL1111111 0.2114 14 C -3.5119 -1.4320 0.4241 C.3 1 UNL1111111 -0.5863 15 C -4.2815 -0.5568 -0.5417 C.3 1 UNL1111111 -0.0345 16 H -4.2125 -0.7913 -1.6097 H 1 UNL1111111 0.1744 17 C -5.6315 -0.0207 -0.1520 C.3 1 UNL1111111 -0.8630 18 H 4.1063 -2.6258 0.5977 H 1 UNL1111111 0.2298 19 H 5.3039 -1.6406 -0.2524 H 1 UNL1111111 0.2172 20 H 5.3523 -1.7661 1.5078 H 1 UNL1111111 0.2377 21 H 3.1694 -0.5510 1.7025 H 1 UNL1111111 0.1747 22 H 4.3656 0.4497 0.8772 H 1 UNL1111111 0.1703 23 H 3.9882 1.1535 -1.5233 H 1 UNL1111111 0.2350 24 H 4.3598 -0.5124 -1.9826 H 1 UNL1111111 0.2222 25 H 2.8643 0.2422 -2.5468 H 1 UNL1111111 0.2158 26 H -1.9400 1.0738 -1.3534 H 1 UNL1111111 0.2246 27 H -1.5572 -0.6525 -1.3113 H 1 UNL1111111 0.2779 28 H -2.9414 -2.2757 0.0505 H 1 UNL1111111 0.2519 29 H -3.9383 -1.6765 1.3926 H 1 UNL1111111 0.2676 30 H -5.7008 0.2043 0.9202 H 1 UNL1111111 0.2828 31 H -5.8608 0.9071 -0.6937 H 1 UNL1111111 0.2288 32 H -6.4261 -0.7431 -0.3818 H 1 UNL1111111 0.2659 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 15 16 1 16 12 15 1 17 15 17 1 18 1 18 1 19 1 19 1 20 1 20 1 21 2 21 1 22 2 22 1 23 5 23 1 24 5 24 1 25 5 25 1 26 11 26 1 27 11 27 1 28 14 28 1 29 14 29 1 30 17 30 1 31 17 31 1 32 17 32 1