@MOLECULE [2-[(1R,2S)-2-methylcyclopropyl]acetyl] 3,3-dimethylpentanoate 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.9219 -0.8918 -0.2429 C.3 1 UNL11111111 -0.6807 2 C 4.4445 -1.2613 -0.3683 C.3 1 UNL11111111 -0.3355 3 C 3.4770 -0.1175 0.0348 C.3 1 UNL11111111 0.8360 4 C 3.6804 0.2592 1.5058 C.3 1 UNL11111111 -1.0363 5 C 3.6894 1.1072 -0.8605 C.3 1 UNL11111111 -0.9987 6 C 2.0413 -0.6713 -0.1720 C.3 1 UNL11111111 -0.7323 7 C 0.9618 0.3057 0.1675 C.2 1 UNL11111111 0.4565 8 O 1.0040 1.4020 0.6359 O.2 1 UNL11111111 -0.3221 9 O -0.2434 -0.3205 -0.0972 O.3 1 UNL11111111 -0.3522 10 C -1.4488 0.3497 -0.1583 C.2 1 UNL11111111 0.4696 11 O -1.5208 1.5229 -0.3554 O.2 1 UNL11111111 -0.3358 12 C -2.5356 -0.6726 -0.0003 C.3 1 UNL11111111 -0.5799 13 C -3.8776 0.0007 0.1234 C.3 1 UNL11111111 -0.1109 14 H -3.8844 0.8022 0.8742 H 1 UNL11111111 0.2235 15 C -4.7497 0.1783 -1.1017 C.3 1 UNL11111111 -0.6661 16 C -5.1358 -0.8369 -0.0481 C.3 1 UNL11111111 0.0225 17 H -5.0194 -1.8984 -0.2927 H 1 UNL11111111 0.1812 18 C -6.3190 -0.5746 0.8425 C.3 1 UNL11111111 -0.8704 19 H 6.1900 -0.6335 0.7876 H 1 UNL11111111 0.2082 20 H 6.5617 -1.7284 -0.5458 H 1 UNL11111111 0.2166 21 H 6.1817 -0.0368 -0.8772 H 1 UNL11111111 0.1842 22 H 4.2353 -1.5676 -1.4113 H 1 UNL11111111 0.1297 23 H 4.2391 -2.1506 0.2582 H 1 UNL11111111 0.1480 24 H 4.6925 0.6393 1.6837 H 1 UNL11111111 0.2681 25 H 2.9885 1.0550 1.8162 H 1 UNL11111111 0.2883 26 H 3.5267 -0.5944 2.1718 H 1 UNL11111111 0.2770 27 H 3.5825 0.8611 -1.9210 H 1 UNL11111111 0.2443 28 H 2.9703 1.9052 -0.6274 H 1 UNL11111111 0.2657 29 H 4.6876 1.5362 -0.7190 H 1 UNL11111111 0.2581 30 H 1.9140 -1.0028 -1.2260 H 1 UNL11111111 0.2339 31 H 1.8998 -1.5895 0.4397 H 1 UNL11111111 0.2697 32 H -2.5033 -1.3803 -0.8585 H 1 UNL11111111 0.2826 33 H -2.3366 -1.3031 0.8966 H 1 UNL11111111 0.2599 34 H -5.3270 1.0924 -1.2133 H 1 UNL11111111 0.2575 35 H -4.4001 -0.1535 -2.0736 H 1 UNL11111111 0.2507 36 H -7.2537 -0.8926 0.3617 H 1 UNL11111111 0.2623 37 H -6.2324 -1.1231 1.7896 H 1 UNL11111111 0.2610 38 H -6.4305 0.4885 1.0915 H 1 UNL11111111 0.2656 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 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 4 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 5 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