@MOLECULE 3-amino-4-(1h-imidazol-5-yl)-2-butanone 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0995 1.2316 0.8579 O.2 1 UNL1111111111 -0.4616 2 N 2.7554 -1.3402 -0.1090 N.3 1 UNL1111111111 -0.6247 3 N -1.5360 0.2229 1.0956 N.ar 1 UNL1111111111 -0.3653 4 N -2.9259 -0.0250 -0.6515 N.ar 1 UNL1111111111 -0.3665 5 C 1.4822 -0.6730 -0.4222 C.3 1 UNL1111111111 -0.0391 6 C 0.3837 -1.2926 0.4766 C.3 1 UNL1111111111 -0.2795 7 C -0.9307 -0.6816 0.2160 C.ar 1 UNL1111111111 -0.0111 8 C 1.5403 0.8363 -0.1340 C.2 1 UNL1111111111 0.4395 9 C -1.8130 -0.8240 -0.8586 C.ar 1 UNL1111111111 -0.0915 10 C 0.8929 1.7500 -1.1188 C.3 1 UNL1111111111 -0.5575 11 C -2.7533 0.6000 0.5232 C.ar 1 UNL1111111111 0.0738 12 H 1.2352 -0.8620 -1.4976 H 1 UNL1111111111 0.1623 13 H 0.6807 -1.2089 1.5446 H 1 UNL1111111111 0.1674 14 H 0.3517 -2.3922 0.2828 H 1 UNL1111111111 0.1895 15 H -1.1461 0.5400 1.9556 H 1 UNL1111111111 0.3194 16 H 3.0722 -1.1174 0.8257 H 1 UNL1111111111 0.2655 17 H 3.4817 -1.0953 -0.7630 H 1 UNL1111111111 0.2541 18 H -1.7259 -1.4347 -1.7352 H 1 UNL1111111111 0.1810 19 H 0.8613 2.7880 -0.7522 H 1 UNL1111111111 0.1852 20 H -0.1445 1.4478 -1.3369 H 1 UNL1111111111 0.1898 21 H 1.4347 1.7624 -2.0751 H 1 UNL1111111111 0.1802 22 H -3.4391 1.2911 0.9809 H 1 UNL1111111111 0.1891 @BOND 1 1 8 2 2 2 5 1 3 2 16 1 4 2 17 1 5 3 7 ar 6 3 11 ar 7 3 15 1 8 4 9 ar 9 4 11 ar 10 5 6 1 11 5 8 1 12 5 12 1 13 6 7 1 14 6 13 1 15 6 14 1 16 7 9 ar 17 8 10 1 18 9 18 1 19 10 19 1 20 10 20 1 21 10 21 1 22 11 22 1