@MOLECULE n-hexanamide 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.2850 -1.2614 0.0215 O.2 1 UNL1111111111 -0.5237 2 N 3.3388 0.7179 -0.0017 N.am 1 UNL1111111111 -0.7138 3 C -1.6292 0.4646 0.0102 C.3 1 UNL1111111111 -0.2747 4 C -0.2931 -0.2834 -0.0381 C.3 1 UNL1111111111 -0.2506 5 C -2.8014 -0.5252 -0.0195 C.3 1 UNL1111111111 -0.2473 6 C 0.8796 0.7031 -0.0042 C.3 1 UNL1111111111 -0.3649 7 C -4.1398 0.2118 0.0230 C.3 1 UNL1111111111 -0.4427 8 C 2.1859 -0.0539 0.0056 C.2 1 UNL1111111111 0.6000 9 H -1.6875 1.0854 0.9231 H 1 UNL1111111111 0.1350 10 H -1.7073 1.1658 -0.8410 H 1 UNL1111111111 0.1348 11 H -0.2310 -0.9141 -0.9479 H 1 UNL1111111111 0.1536 12 H -0.2130 -0.9950 0.8083 H 1 UNL1111111111 0.1568 13 H -2.7439 -1.1527 -0.9294 H 1 UNL1111111111 0.1368 14 H -2.7277 -1.2251 0.8349 H 1 UNL1111111111 0.1372 15 H 0.8069 1.3493 0.8940 H 1 UNL1111111111 0.1645 16 H 0.8329 1.3817 -0.8791 H 1 UNL1111111111 0.1633 17 H -4.2373 0.8152 0.9321 H 1 UNL1111111111 0.1415 18 H -4.9795 -0.4913 0.0037 H 1 UNL1111111111 0.1420 19 H -4.2550 0.8849 -0.8337 H 1 UNL1111111111 0.1413 20 H 4.2343 0.2722 0.0059 H 1 UNL1111111111 0.3114 21 H 3.3310 1.7101 -0.0143 H 1 UNL1111111111 0.2994 @BOND 1 11 4 1 2 13 5 1 3 16 6 1 4 10 3 1 5 19 7 1 6 4 6 1 7 4 3 1 8 4 12 1 9 5 3 1 10 5 7 1 11 5 14 1 12 21 2 1 13 6 8 1 14 6 15 1 15 2 8 am 16 2 20 1 17 18 7 1 18 8 1 2 19 3 9 1 20 7 17 1