@MOLECULE n-ethylglycine 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.3994 0.8143 0.4313 O.3 1 UNL11111111 -0.5677 2 O -1.8109 -1.2770 -0.0832 O.2 1 UNL11111111 -0.4923 3 N 0.8565 -0.1977 -0.0344 N.3 1 UNL11111111 -0.5323 4 C 2.1305 0.5524 -0.1196 C.3 1 UNL11111111 -0.0820 5 C -0.2814 0.5796 -0.5522 C.3 1 UNL11111111 -0.1828 6 C 3.2670 -0.3577 0.3551 C.3 1 UNL11111111 -0.4523 7 C -1.5297 -0.1111 -0.0523 C.2 1 UNL11111111 0.6448 8 H 2.3433 0.9363 -1.1393 H 1 UNL11111111 0.1092 9 H 2.0475 1.4361 0.5534 H 1 UNL11111111 0.1417 10 H 0.9206 -1.1096 -0.4876 H 1 UNL11111111 0.2719 11 H -0.3269 0.6544 -1.6628 H 1 UNL11111111 0.1465 12 H -0.2361 1.6250 -0.1597 H 1 UNL11111111 0.1814 13 H 3.0379 -0.7859 1.3420 H 1 UNL11111111 0.1661 14 H 3.4374 -1.1931 -0.3316 H 1 UNL11111111 0.1452 15 H 4.2055 0.1987 0.4457 H 1 UNL11111111 0.1468 16 H -3.2355 0.4285 0.7892 H 1 UNL11111111 0.3558 @BOND 1 11 5 1 2 8 4 1 3 5 12 1 4 5 7 1 5 5 3 1 6 10 3 1 7 14 6 1 8 4 3 1 9 4 6 1 10 4 9 1 11 2 7 2 12 7 1 1 13 6 15 1 14 6 13 1 15 1 16 1