@MOLECULE n,n-dimethylbutanamide 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4564 -0.4525 -0.0135 C.3 1 UNL111111111 -0.4404 2 C 2.1908 0.4012 -0.0069 C.3 1 UNL111111111 -0.2279 3 C 0.9386 -0.4836 0.0045 C.3 1 UNL111111111 -0.3592 4 C -0.3018 0.3799 0.0036 C.2 1 UNL111111111 0.5765 5 O -0.2607 1.5935 0.0629 O.2 1 UNL111111111 -0.5422 6 N -1.5270 -0.2551 -0.1505 N.am 1 UNL111111111 -0.4803 7 C -2.7516 0.5366 -0.0054 C.3 1 UNL111111111 -0.2309 8 C -1.6753 -1.6920 0.0765 C.3 1 UNL111111111 -0.2326 9 H 4.3531 0.1771 -0.0560 H 1 UNL111111111 0.1451 10 H 3.5325 -1.0682 0.8892 H 1 UNL111111111 0.1402 11 H 3.4878 -1.1244 -0.8782 H 1 UNL111111111 0.1405 12 H 2.1822 1.0805 0.8694 H 1 UNL111111111 0.1533 13 H 2.1680 1.0740 -0.8879 H 1 UNL111111111 0.1529 14 H 0.9430 -1.1530 -0.8788 H 1 UNL111111111 0.1639 15 H 0.9455 -1.1411 0.8959 H 1 UNL111111111 0.1601 16 H -3.4839 0.2347 -0.7730 H 1 UNL111111111 0.1404 17 H -3.2023 0.4232 0.9934 H 1 UNL111111111 0.1312 18 H -2.5329 1.6136 -0.1583 H 1 UNL111111111 0.1791 19 H -1.4173 -1.9811 1.1100 H 1 UNL111111111 0.1334 20 H -2.7148 -2.0112 -0.1131 H 1 UNL111111111 0.1513 21 H -1.0332 -2.2579 -0.6224 H 1 UNL111111111 0.1455 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 am 6 6 7 1 7 6 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 3 14 1 14 3 15 1 15 7 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1