@MOLECULE (2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-imidazol-3-ium-4-ylium-4-yl-N-methyl-propanamide 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6074 0.9769 1.1746 O.2 1 UNL111111111 -0.3257 2 O -0.0319 1.7170 -1.1509 O.2 1 UNL111111111 -0.3904 3 O 2.7239 0.3099 0.8151 O.2 1 UNL111111111 -0.4153 4 N -0.8420 0.8122 0.7615 N.am 1 UNL111111111 -0.6844 5 N 0.7204 -1.8321 0.3955 N.ar 1 UNL111111111 -0.3166 6 N -3.9019 0.5539 -1.0356 N.am 1 UNL111111111 -0.4765 7 N 2.2826 2.4280 0.1468 N.am 1 UNL111111111 -0.7087 8 N 0.7915 -3.9373 -0.3911 N.ar 1 UNL111111111 -0.3715 9 N 4.9728 -0.0429 -0.6997 N.3 1 UNL111111111 -0.8405 10 C -1.7587 -0.0599 0.0274 C.3 1 UNL111111111 -0.1155 11 C -1.7772 -1.4632 0.6702 C.3 1 UNL111111111 -0.7609 12 C -0.6010 -2.2697 0.2850 C.ar 1 UNL111111111 0.0883 13 C -3.1701 0.5543 0.1246 C.2 1 UNL111111111 0.3672 14 C -0.0136 1.6594 0.0619 C.2 1 UNL111111111 0.4092 15 C 1.0238 2.4236 0.8901 C.3 1 UNL111111111 -0.3516 16 C -0.5322 -3.5843 -0.1951 C.ar 1 UNL111111111 -0.1283 17 C 1.5370 -2.8724 -0.0431 C.ar 1 UNL111111111 -0.0360 18 C -5.2543 1.1116 -1.0492 C.3 1 UNL111111111 -0.6165 19 C 3.0168 1.2563 0.1061 C.2 1 UNL111111111 0.5414 20 C 4.2390 1.2244 -0.8069 C.3 1 UNL111111111 -0.3729 21 H -1.4177 -0.1404 -1.0441 H 1 UNL111111111 0.2709 22 H -1.8466 -1.3775 1.7802 H 1 UNL111111111 0.3394 23 H -2.7118 -1.9951 0.3759 H 1 UNL111111111 0.3081 24 H -0.9799 0.8739 1.7636 H 1 UNL111111111 0.4741 25 H 1.0126 -0.9031 0.6319 H 1 UNL111111111 0.4103 26 H 0.6783 3.4683 1.0642 H 1 UNL111111111 0.2457 27 H 1.1851 1.9555 1.8933 H 1 UNL111111111 0.2684 28 H -1.3243 -4.2748 -0.4029 H 1 UNL111111111 0.2328 29 H -3.5040 0.3065 -1.9255 H 1 UNL111111111 0.3777 30 H 2.6103 -2.8169 -0.0673 H 1 UNL111111111 0.2366 31 H 2.3543 3.1120 -0.5954 H 1 UNL111111111 0.4061 32 H -5.9357 0.4420 -1.6029 H 1 UNL111111111 0.2366 33 H -5.2697 2.1115 -1.5189 H 1 UNL111111111 0.2087 34 H -5.6443 1.2185 -0.0161 H 1 UNL111111111 0.2625 35 H 4.9262 2.0733 -0.5826 H 1 UNL111111111 0.2339 36 H 3.9200 1.3512 -1.8734 H 1 UNL111111111 0.2343 37 H 5.4298 -0.1344 0.1968 H 1 UNL111111111 0.3852 38 H 4.3486 -0.8310 -0.8097 H 1 UNL111111111 0.3739 @BOND 1 1 13 2 2 2 14 2 3 3 19 2 4 4 10 1 5 4 14 am 6 4 24 1 7 5 12 ar 8 5 17 ar 9 5 25 1 10 6 13 am 11 6 18 1 12 6 29 1 13 7 15 1 14 7 19 am 15 7 31 1 16 8 16 ar 17 8 17 ar 18 9 20 1 19 9 37 1 20 9 38 1 21 10 11 1 22 10 13 1 23 10 21 1 24 11 12 1 25 11 22 1 26 11 23 1 27 12 16 ar 28 14 15 1 29 15 26 1 30 15 27 1 31 16 28 1 32 17 30 1 33 18 32 1 34 18 33 1 35 18 34 1 36 19 20 1 37 20 35 1 38 20 36 1