@MOLECULE butyl 4-methylpentanoate 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.8497 0.4482 -0.3511 C.3 1 UNL111111111 0.3219 2 C -5.1027 -0.4369 -0.3837 C.3 1 UNL111111111 -1.0419 3 C -4.0436 1.5851 0.6588 C.3 1 UNL111111111 -0.9607 4 C -2.6241 -0.4104 0.0112 C.3 1 UNL111111111 -0.4877 5 C -1.3134 0.3381 -0.2438 C.3 1 UNL111111111 -0.4966 6 C -0.1456 -0.5545 0.0464 C.2 1 UNL111111111 0.4926 7 O -0.1498 -1.7137 0.3700 O.2 1 UNL111111111 -0.3926 8 O 1.0054 0.1481 -0.1118 O.3 1 UNL111111111 -0.2583 9 C 2.2257 -0.5671 0.1272 C.3 1 UNL111111111 -0.4483 10 C 3.3183 0.4681 -0.1343 C.3 1 UNL111111111 -0.1882 11 C 4.6976 -0.1578 0.0973 C.3 1 UNL111111111 -0.1947 12 C 5.8075 0.8643 -0.1460 C.3 1 UNL111111111 -0.8224 13 H -3.6981 0.8883 -1.3660 H 1 UNL111111111 0.1196 14 H -5.9933 0.1446 -0.6439 H 1 UNL111111111 0.2872 15 H -5.0079 -1.2396 -1.1229 H 1 UNL111111111 0.2723 16 H -5.2892 -0.9044 0.5893 H 1 UNL111111111 0.2970 17 H -4.1557 1.2007 1.6785 H 1 UNL111111111 0.2920 18 H -3.1952 2.2767 0.6569 H 1 UNL111111111 0.2463 19 H -4.9416 2.1689 0.4297 H 1 UNL111111111 0.2626 20 H -2.6805 -0.7315 1.0697 H 1 UNL111111111 0.2161 21 H -2.6349 -1.3526 -0.5741 H 1 UNL111111111 0.2171 22 H -1.2589 0.6973 -1.2937 H 1 UNL111111111 0.2341 23 H -1.2521 1.2550 0.3810 H 1 UNL111111111 0.2510 24 H 2.2191 -0.9331 1.1683 H 1 UNL111111111 0.2067 25 H 2.2715 -1.4269 -0.5632 H 1 UNL111111111 0.2160 26 H 3.2343 0.8567 -1.1676 H 1 UNL111111111 0.1643 27 H 3.1714 1.3477 0.5218 H 1 UNL111111111 0.1737 28 H 4.7691 -0.5523 1.1294 H 1 UNL111111111 0.1572 29 H 4.8373 -1.0291 -0.5716 H 1 UNL111111111 0.1534 30 H 6.7966 0.4218 0.0177 H 1 UNL111111111 0.2401 31 H 5.7844 1.2456 -1.1731 H 1 UNL111111111 0.2362 32 H 5.7173 1.7247 0.5266 H 1 UNL111111111 0.2342 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 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 2 14 1 14 2 15 1 15 2 16 1 16 3 17 1 17 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1