@MOLECULE [2-(1-methylcyclopropyl)acetyl] (2R)-2-methylbutanoate 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0153 0.5801 1.0161 C.3 1 UNL11111111 -1.0044 2 C 3.8605 -0.3197 0.5842 C.3 1 UNL11111111 -0.3259 3 C 2.7456 0.4870 -0.1018 C.3 1 UNL11111111 0.3540 4 H 2.4994 1.3867 0.5178 H 1 UNL11111111 0.0966 5 C 3.1285 0.9301 -1.5144 C.3 1 UNL11111111 -1.0488 6 C 1.5299 -0.4014 -0.2236 C.2 1 UNL11111111 0.5518 7 O 1.4651 -1.5573 -0.5151 O.2 1 UNL11111111 -0.5641 8 O 0.4058 0.3654 -0.0235 O.3 1 UNL11111111 -0.6356 9 C -0.8388 -0.1844 0.2357 C.2 1 UNL11111111 0.9831 10 O -0.9533 -1.2362 0.7847 O.2 1 UNL11111111 -0.3548 11 C -1.8687 0.8074 -0.2115 C.3 1 UNL11111111 -1.1847 12 C -3.2632 0.2241 -0.1477 C.3 1 UNL11111111 0.4894 13 C -3.4713 -0.9413 -1.0777 C.3 1 UNL11111111 -0.7247 14 C -3.9923 0.2427 1.1836 C.3 1 UNL11111111 -0.4496 15 C -4.4150 1.1882 0.0878 C.3 1 UNL11111111 -0.5176 16 H 5.4809 1.0827 0.1611 H 1 UNL11111111 0.2949 17 H 4.6850 1.3556 1.7163 H 1 UNL11111111 0.2816 18 H 5.7992 -0.0005 1.5176 H 1 UNL11111111 0.2821 19 H 4.2248 -1.1164 -0.0954 H 1 UNL11111111 0.2185 20 H 3.4520 -0.8535 1.4669 H 1 UNL11111111 0.2397 21 H 3.3499 0.0731 -2.1644 H 1 UNL11111111 0.2521 22 H 2.3241 1.5087 -1.9863 H 1 UNL11111111 0.2961 23 H 4.0228 1.5652 -1.4990 H 1 UNL11111111 0.2998 24 H -1.7814 1.7267 0.4110 H 1 UNL11111111 0.4246 25 H -1.6429 1.1475 -1.2482 H 1 UNL11111111 0.3684 26 H -2.8009 -1.7775 -0.8202 H 1 UNL11111111 0.0926 27 H -4.4946 -1.3341 -1.0291 H 1 UNL11111111 0.2688 28 H -3.2767 -0.6674 -2.1217 H 1 UNL11111111 0.2137 29 H -4.6285 -0.5954 1.4548 H 1 UNL11111111 0.1859 30 H -3.4943 0.6242 2.0694 H 1 UNL11111111 0.2258 31 H -4.2261 2.2514 0.1874 H 1 UNL11111111 0.2028 32 H -5.3565 1.0296 -0.4292 H 1 UNL11111111 0.1881 @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 12 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 5 21 1 22 5 22 1 23 5 23 1 24 11 24 1 25 11 25 1 26 13 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 15 31 1 32 15 32 1