@MOLECULE butyl (2r)-2-methylbutanoate 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5104 0.4571 0.6112 C.3 1 UNL111111111 -0.4348 2 C 3.3268 -0.3880 0.1483 C.3 1 UNL111111111 -0.2517 3 C 2.0140 0.4103 0.1750 C.3 1 UNL111111111 -0.1576 4 H 1.8840 0.8825 1.1824 H 1 UNL111111111 0.1683 5 C 1.9694 1.4951 -0.9024 C.3 1 UNL111111111 -0.4370 6 C 0.8646 -0.5390 -0.0753 C.2 1 UNL111111111 0.5923 7 O 0.9061 -1.6653 -0.4975 O.2 1 UNL111111111 -0.5161 8 O -0.3015 0.0699 0.2505 O.3 1 UNL111111111 -0.4436 9 C -1.5041 -0.6768 0.0220 C.3 1 UNL111111111 -0.0135 10 C -2.6126 0.3651 0.1628 C.3 1 UNL111111111 -0.2993 11 C -3.9847 -0.2998 0.0168 C.3 1 UNL111111111 -0.2456 12 C -5.1022 0.7362 0.1348 C.3 1 UNL111111111 -0.4374 13 H 4.6942 1.3011 -0.0633 H 1 UNL111111111 0.1434 14 H 4.3494 0.8639 1.6157 H 1 UNL111111111 0.1427 15 H 5.4300 -0.1396 0.6431 H 1 UNL111111111 0.1444 16 H 3.5089 -0.7824 -0.8713 H 1 UNL111111111 0.1530 17 H 3.2301 -1.2876 0.7904 H 1 UNL111111111 0.1496 18 H 1.0101 2.0300 -0.8913 H 1 UNL111111111 0.1572 19 H 2.7601 2.2386 -0.7469 H 1 UNL111111111 0.1536 20 H 2.1059 1.0769 -1.9073 H 1 UNL111111111 0.1536 21 H -1.4699 -1.1331 -0.9828 H 1 UNL111111111 0.1383 22 H -1.5552 -1.4720 0.7846 H 1 UNL111111111 0.1326 23 H -2.5288 0.8762 1.1417 H 1 UNL111111111 0.1536 24 H -2.4813 1.1603 -0.5962 H 1 UNL111111111 0.1511 25 H -4.0558 -0.8195 -0.9583 H 1 UNL111111111 0.1373 26 H -4.1136 -1.0820 0.7895 H 1 UNL111111111 0.1368 27 H -5.0791 1.2441 1.1056 H 1 UNL111111111 0.1436 28 H -5.0198 1.5052 -0.6415 H 1 UNL111111111 0.1436 29 H -6.0884 0.2698 0.0316 H 1 UNL111111111 0.1418 @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 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 5 18 1 18 5 19 1 19 5 20 1 20 9 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 12 29 1