@MOLECULE diethylamine 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.2258 -0.5402 0.0182 C.3 1 UNL11111111 -0.0905 2 N -0.0000 0.2846 -0.0982 N.3 1 UNL11111111 -0.5531 3 C 1.2258 -0.5402 0.0191 C.3 1 UNL11111111 -0.0905 4 C -2.4530 0.3773 0.0085 C.3 1 UNL11111111 -0.4521 5 H -1.2329 -1.1792 0.9271 H 1 UNL11111111 0.1059 6 H -1.2553 -1.2231 -0.8603 H 1 UNL11111111 0.1386 7 H -0.0003 1.0361 0.5881 H 1 UNL11111111 0.2529 8 H 1.2325 -1.1785 0.9285 H 1 UNL11111111 0.1058 9 C 2.4531 0.3772 0.0081 C.3 1 UNL11111111 -0.4521 10 H 1.2549 -1.2246 -0.8585 H 1 UNL11111111 0.1386 11 H -2.4719 1.0426 0.8778 H 1 UNL11111111 0.1421 12 H -3.3797 -0.2052 0.0103 H 1 UNL11111111 0.1450 13 H -2.4554 1.0110 -0.8883 H 1 UNL11111111 0.1612 14 H 2.4565 1.0082 -0.8911 H 1 UNL11111111 0.1612 15 H 3.3804 -0.2044 0.0128 H 1 UNL11111111 0.1450 16 H 2.4708 1.0453 0.8753 H 1 UNL11111111 0.1421 @BOND 1 14 9 1 2 13 4 1 3 6 1 1 4 10 3 1 5 2 1 1 6 2 3 1 7 2 7 1 8 9 15 1 9 9 3 1 10 9 16 1 11 4 12 1 12 4 1 1 13 4 11 1 14 1 5 1 15 3 8 1