@MOLECULE n,2-dimethylalanine 19 18 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9806 -1.4012 0.6514 O.3 1 UNL111111111 -0.5831 2 O 1.9392 -0.0282 -0.8120 O.2 1 UNL111111111 -0.5011 3 N -1.4528 -0.2402 0.4873 N.3 1 UNL111111111 -0.5253 4 C -0.2736 0.5615 0.1294 C.3 1 UNL111111111 0.2015 5 C -0.5277 1.3749 -1.1453 C.3 1 UNL111111111 -0.4578 6 C 0.0490 1.4936 1.3112 C.3 1 UNL111111111 -0.4684 7 C 1.0003 -0.2714 -0.1053 C.2 1 UNL111111111 0.5711 8 C -1.8612 -1.2183 -0.5399 C.3 1 UNL111111111 -0.2695 9 H -0.6032 0.7408 -2.0360 H 1 UNL111111111 0.1559 10 H -1.4661 1.9392 -1.0582 H 1 UNL111111111 0.1687 11 H 0.2854 2.0889 -1.3300 H 1 UNL111111111 0.1641 12 H 0.3154 0.9352 2.2163 H 1 UNL111111111 0.1572 13 H 0.8787 2.1706 1.0761 H 1 UNL111111111 0.1621 14 H -0.8267 2.1122 1.5552 H 1 UNL111111111 0.1731 15 H -1.3101 -0.7095 1.3848 H 1 UNL111111111 0.2708 16 H -1.0717 -1.9330 -0.8213 H 1 UNL111111111 0.1289 17 H -2.2023 -0.6894 -1.4449 H 1 UNL111111111 0.1482 18 H -2.7235 -1.7893 -0.1545 H 1 UNL111111111 0.1472 19 H 1.7897 -1.9591 0.5599 H 1 UNL111111111 0.3564 @BOND 1 1 7 1 2 1 19 1 3 2 7 2 4 3 4 1 5 3 8 1 6 3 15 1 7 4 5 1 8 4 6 1 9 4 7 1 10 5 9 1 11 5 10 1 12 5 11 1 13 6 12 1 14 6 13 1 15 6 14 1 16 8 16 1 17 8 17 1 18 8 18 1