@MOLECULE butanoyl (2R)-2-methylbutanoate 28 27 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.9128 -1.1026 0.1921 C.3 1 UNL111 -0.4395 2 C 3.8458 -0.0165 0.0854 C.3 1 UNL111 -0.2335 3 C 2.4432 -0.6280 0.1562 C.3 1 UNL111 -0.3500 4 C 1.4074 0.4526 0.0842 C.2 1 UNL111 0.6300 5 O 1.5485 1.6366 0.0702 O.2 1 UNL111 -0.4231 6 O 0.1730 -0.1610 0.0766 O.3 1 UNL111 -0.5591 7 C -1.0170 0.4859 -0.1723 C.2 1 UNL111 0.6162 8 O -1.0814 1.6213 -0.5307 O.2 1 UNL111 -0.4263 9 C -2.1329 -0.5100 0.0518 C.3 1 UNL111 -0.1562 10 H -1.8975 -1.1319 0.9530 H 1 UNL111 0.1709 11 C -2.2064 -1.4102 -1.1822 C.3 1 UNL111 -0.4373 12 C -3.4413 0.2623 0.2860 C.3 1 UNL111 -0.2534 13 C -4.5068 -0.6289 0.9187 C.3 1 UNL111 -0.4358 14 H 4.8630 -1.6273 1.1529 H 1 UNL111 0.1432 15 H 4.8111 -1.8528 -0.6002 H 1 UNL111 0.1433 16 H 5.9194 -0.6749 0.1075 H 1 UNL111 0.1471 17 H 3.9767 0.7327 0.8930 H 1 UNL111 0.1527 18 H 3.9668 0.5517 -0.8591 H 1 UNL111 0.1507 19 H 2.2889 -1.3609 -0.6642 H 1 UNL111 0.1779 20 H 2.3129 -1.2117 1.0930 H 1 UNL111 0.1792 21 H -3.0189 -2.1408 -1.0881 H 1 UNL111 0.1541 22 H -2.3925 -0.8348 -2.0978 H 1 UNL111 0.1559 23 H -1.2740 -1.9720 -1.3245 H 1 UNL111 0.1552 24 H -3.2534 1.1414 0.9367 H 1 UNL111 0.1524 25 H -3.8083 0.6851 -0.6708 H 1 UNL111 0.1530 26 H -4.7350 -1.4982 0.2916 H 1 UNL111 0.1429 27 H -4.1927 -1.0022 1.9003 H 1 UNL111 0.1432 28 H -5.4439 -0.0778 1.0650 H 1 UNL111 0.1463 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 9 12 1 12 12 13 1 13 1 14 1 14 1 15 1 15 1 16 1 16 2 17 1 17 2 18 1 18 3 19 1 19 3 20 1 20 11 21 1 21 11 22 1 22 11 23 1 23 12 24 1 24 12 25 1 25 13 26 1 26 13 27 1 27 13 28 1