@MOLECULE 3-(1h-pyrazol-1-yl)-l-alanine 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2019 -1.4698 1.1327 O.3 1 UNL1111111111 -0.5378 2 OXT 2.3567 -1.1752 -0.7635 O.2 1 UNL1111111111 -0.4866 3 N -1.0891 0.5377 -0.3427 N.ar 1 UNL1111111111 -0.1149 4 N 2.5096 1.5421 0.1809 N.3 1 UNL1111111111 -0.6334 5 N -1.6130 -0.5152 -1.0177 N.ar 1 UNL1111111111 -0.2463 6 C 0.1971 1.0827 -0.7338 C.3 1 UNL1111111111 -0.1361 7 CA 1.2942 0.7408 0.3226 C.3 1 UNL1111111111 -0.0320 8 C -1.8896 0.9119 0.7249 C.ar 1 UNL1111111111 -0.0835 9 C 1.7016 -0.7146 0.1310 C.2 1 UNL1111111111 0.6307 10 C -2.9893 0.0530 0.7121 C.ar 1 UNL1111111111 -0.2699 11 C -2.7770 -0.8233 -0.3954 C.ar 1 UNL1111111111 -0.0601 12 H 0.1094 2.1880 -0.8471 H 1 UNL1111111111 0.1585 13 H 0.4862 0.6780 -1.7393 H 1 UNL1111111111 0.1954 14 HA 0.8884 0.8928 1.3629 H 1 UNL1111111111 0.1895 15 H -1.6465 1.7196 1.3831 H 1 UNL1111111111 0.1708 16 H1 2.3472 2.5276 0.2918 H 1 UNL1111111111 0.2652 17 H2 3.0118 1.3560 -0.6754 H 1 UNL1111111111 0.2759 18 H -3.8193 0.0422 1.3805 H 1 UNL1111111111 0.1732 19 H -3.4059 -1.6243 -0.7381 H 1 UNL1111111111 0.1819 20 H 1.3977 -2.4374 1.0380 H 1 UNL1111111111 0.3595 @BOND 1 1 9 1 2 1 20 1 3 2 9 2 4 3 5 ar 5 3 6 1 6 3 8 ar 7 4 7 1 8 4 16 1 9 4 17 1 10 5 11 ar 11 6 7 1 12 6 12 1 13 6 13 1 14 7 9 1 15 7 14 1 16 8 10 ar 17 8 15 1 18 10 11 ar 19 10 18 1 20 11 19 1