@MOLECULE 2-methyl-2-propanyl 2-methylbutanoate 29 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.0539 0.1230 0.5823 C.3 1 UNL111 -0.4353 2 C 2.7519 0.6102 -0.0489 C.3 1 UNL111 -0.2502 3 C 1.5954 -0.3665 0.2155 C.3 1 UNL111 -0.1610 4 H 1.5905 -0.6592 1.2963 H 1 UNL111 0.1672 5 C 1.6941 -1.6239 -0.6493 C.3 1 UNL111 -0.4361 6 C 0.2848 0.3266 -0.1007 C.2 1 UNL111 0.6145 7 O 0.1408 1.3988 -0.6295 O.2 1 UNL111 -0.5327 8 O -0.7326 -0.4527 0.3173 O.3 1 UNL111 -0.4816 9 C -2.1058 -0.0602 0.1186 C.3 1 UNL111 0.3709 10 C -2.3804 0.0911 -1.3742 C.3 1 UNL111 -0.5095 11 C -2.8513 -1.2620 0.7121 C.3 1 UNL111 -0.4832 12 C -2.3816 1.2204 0.8994 C.3 1 UNL111 -0.5081 13 H 3.9768 0.0639 1.6738 H 1 UNL111 0.1421 14 H 4.3356 -0.8706 0.2159 H 1 UNL111 0.1425 15 H 4.8815 0.8031 0.3485 H 1 UNL111 0.1432 16 H 2.4940 1.6149 0.3461 H 1 UNL111 0.1529 17 H 2.8804 0.7568 -1.1395 H 1 UNL111 0.1500 18 H 1.6803 -1.3837 -1.7192 H 1 UNL111 0.1516 19 H 2.6230 -2.1703 -0.4473 H 1 UNL111 0.1526 20 H 0.8583 -2.3088 -0.4524 H 1 UNL111 0.1569 21 H -2.0182 -0.7773 -1.9355 H 1 UNL111 0.1568 22 H -3.4505 0.2009 -1.5747 H 1 UNL111 0.1546 23 H -1.8748 0.9775 -1.7864 H 1 UNL111 0.1793 24 H -2.6344 -1.3740 1.7810 H 1 UNL111 0.1586 25 H -3.9327 -1.1521 0.5917 H 1 UNL111 0.1540 26 H -2.5453 -2.1948 0.2229 H 1 UNL111 0.1590 27 H -1.8594 2.0803 0.4535 H 1 UNL111 0.1788 28 H -3.4503 1.4556 0.9148 H 1 UNL111 0.1546 29 H -2.0378 1.1371 1.9366 H 1 UNL111 0.1574 @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 9 11 1 11 9 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 10 21 1 21 10 22 1 22 10 23 1 23 11 24 1 24 11 25 1 25 11 26 1 26 12 27 1 27 12 28 1 28 12 29 1