@MOLECULE [2-[(1S,2S)-2-methylcyclopropyl]acetyl] 2,2-dimethylpentanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.9994 -0.3240 -0.1128 C.3 1 UNL1111111 -0.8631 2 C 4.7499 0.5540 -0.0279 C.3 1 UNL1111111 0.0002 3 C 3.4856 -0.3003 -0.1716 C.3 1 UNL1111111 -0.6254 4 C 2.1802 0.5044 -0.0032 C.3 1 UNL1111111 0.5295 5 C 2.0631 1.0866 1.4067 C.3 1 UNL1111111 -0.9618 6 C 2.0448 1.6016 -1.0625 C.3 1 UNL1111111 -0.7784 7 C 1.0346 -0.4772 -0.2300 C.2 1 UNL1111111 0.1621 8 O 1.0720 -1.5647 -0.7200 O.2 1 UNL1111111 -0.2558 9 O -0.1572 0.1077 0.1461 O.3 1 UNL1111111 -0.3267 10 C -1.2679 -0.6291 0.4911 C.2 1 UNL1111111 0.4575 11 O -1.1983 -1.7747 0.8193 O.2 1 UNL1111111 -0.2427 12 C -2.4579 0.2848 0.4781 C.3 1 UNL1111111 -0.6553 13 C -3.7076 -0.5109 0.2000 C.3 1 UNL1111111 -0.1337 14 H -3.7326 -1.4585 0.7603 H 1 UNL1111111 0.2223 15 C -4.3235 -0.4948 -1.1831 C.3 1 UNL1111111 -0.5616 16 C -5.0360 0.1941 -0.0395 C.3 1 UNL1111111 -0.0605 17 H -5.9333 -0.2913 0.3666 H 1 UNL1111111 0.2001 18 C -5.1406 1.6941 -0.0060 C.3 1 UNL1111111 -0.8576 19 H 6.9122 0.2749 -0.0257 H 1 UNL1111111 0.2234 20 H 6.0198 -1.0727 0.6876 H 1 UNL1111111 0.2700 21 H 6.0485 -0.8615 -1.0668 H 1 UNL1111111 0.2506 22 H 4.7416 1.0994 0.9345 H 1 UNL1111111 0.1178 23 H 4.7808 1.3278 -0.8180 H 1 UNL1111111 0.0954 24 H 3.4876 -0.8015 -1.1619 H 1 UNL1111111 0.2180 25 H 3.5063 -1.1253 0.5694 H 1 UNL1111111 0.2466 26 H 2.8576 1.8157 1.6040 H 1 UNL1111111 0.2666 27 H 1.1057 1.6044 1.5515 H 1 UNL1111111 0.2671 28 H 2.1355 0.3067 2.1741 H 1 UNL1111111 0.2936 29 H 2.1571 1.2028 -2.0782 H 1 UNL1111111 0.2302 30 H 1.0667 2.0973 -1.0038 H 1 UNL1111111 0.2249 31 H 2.8085 2.3769 -0.9294 H 1 UNL1111111 0.2069 32 H -2.5357 0.7935 1.4665 H 1 UNL1111111 0.2897 33 H -2.3161 1.1039 -0.2603 H 1 UNL1111111 0.3032 34 H -3.8694 0.0962 -1.9722 H 1 UNL1111111 0.2553 35 H -4.7274 -1.4133 -1.5998 H 1 UNL1111111 0.2232 36 H -6.0578 2.0336 -0.5070 H 1 UNL1111111 0.2532 37 H -5.1742 2.0661 1.0266 H 1 UNL1111111 0.2633 38 H -4.3020 2.1910 -0.5081 H 1 UNL1111111 0.2518 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 10 11 2 11 10 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 16 17 1 17 13 16 1 18 16 18 1 19 1 19 1 20 1 20 1 21 1 21 1 22 2 22 1 23 2 23 1 24 3 24 1 25 3 25 1 26 5 26 1 27 5 27 1 28 5 28 1 29 6 29 1 30 6 30 1 31 6 31 1 32 12 32 1 33 12 33 1 34 15 34 1 35 15 35 1 36 18 36 1 37 18 37 1 38 18 38 1