@MOLECULE 4-nitrobutanoic acid 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.4518 0.1095 0.0661 C.2 1 UNL1111 0.6421 2 C 1.2423 -0.7433 -0.1629 C.3 1 UNL1111 -0.3450 3 C -0.0260 0.0885 0.0210 C.3 1 UNL1111 -0.2627 4 C -1.2617 -0.7893 -0.1883 C.3 1 UNL1111 -0.2444 5 O 2.5184 1.2586 0.4075 O.2 1 UNL1111 -0.4885 6 O 3.5751 -0.6197 -0.1672 O.3 1 UNL1111 -0.5706 7 N -2.5097 0.0140 -0.0309 N.pl3 1 UNL1111 0.6053 8 O -2.5507 1.1177 -0.5388 O.2 1 UNL1111 -0.3862 9 O -3.4257 -0.4972 0.5869 O.2 1 UNL1111 -0.3977 10 H 1.2893 -1.1942 -1.1795 H 1 UNL1111 0.1841 11 H 1.2659 -1.6080 0.5379 H 1 UNL1111 0.1836 12 H -0.0389 0.5574 1.0293 H 1 UNL1111 0.1744 13 H -0.0334 0.9511 -0.6843 H 1 UNL1111 0.1846 14 H -1.2709 -1.2328 -1.2113 H 1 UNL1111 0.1789 15 H -1.2857 -1.6378 0.5338 H 1 UNL1111 0.1813 16 H 4.4155 -0.1173 -0.0269 H 1 UNL1111 0.3609 @BOND 1 1 2 1 2 1 5 2 3 1 6 1 4 2 3 1 5 2 10 1 6 2 11 1 7 3 4 1 8 3 12 1 9 3 13 1 10 4 7 1 11 4 14 1 12 4 15 1 13 6 16 1 14 7 8 2 15 7 9 2