@MOLECULE n-propylpropanamide 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5618 -0.0009 -0.0003 C.3 1 UNL111111111 -0.4136 2 C 2.2833 -0.8321 -0.0021 C.3 1 UNL111111111 -0.3419 3 C 1.0779 0.0844 0.0008 C.2 1 UNL111111111 0.5860 4 O 1.1354 1.2964 -0.0010 O.2 1 UNL111111111 -0.5329 5 N -0.1512 -0.5492 0.0037 N.am 1 UNL111111111 -0.6342 6 C -1.3704 0.2748 0.0033 C.3 1 UNL111111111 -0.0541 7 C -2.6228 -0.6145 -0.0022 C.3 1 UNL111111111 -0.2813 8 C -3.8758 0.2586 -0.0016 C.3 1 UNL111111111 -0.4336 9 H 3.6110 0.6518 0.8825 H 1 UNL111111111 0.1595 10 H 4.4550 -0.6326 -0.0086 H 1 UNL111111111 0.1403 11 H 3.6033 0.6648 -0.8743 H 1 UNL111111111 0.1600 12 H 2.2585 -1.4910 -0.8931 H 1 UNL111111111 0.1593 13 H 2.2577 -1.4998 0.8821 H 1 UNL111111111 0.1591 14 H -0.2528 -1.5440 0.0073 H 1 UNL111111111 0.3064 15 H -1.3604 0.9436 0.8957 H 1 UNL111111111 0.1491 16 H -1.3565 0.9477 -0.8862 H 1 UNL111111111 0.1494 17 H -2.6212 -1.2755 -0.8900 H 1 UNL111111111 0.1406 18 H -2.6250 -1.2828 0.8799 H 1 UNL111111111 0.1405 19 H -4.7851 -0.3533 -0.0123 H 1 UNL111111111 0.1447 20 H -3.9225 0.8980 0.8881 H 1 UNL111111111 0.1483 21 H -3.9127 0.9144 -0.8801 H 1 UNL111111111 0.1484 @BOND 1 1 2 1 2 2 3 1 3 3 4 2 4 3 5 am 5 5 6 1 6 6 7 1 7 7 8 1 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 5 14 1 14 6 15 1 15 6 16 1 16 7 17 1 17 7 18 1 18 8 19 1 19 8 20 1 20 8 21 1