@MOLECULE 1-cyano-3-[2-({[4-(hydroxymethyl)-1h-imidazol-5-yl]methyl}sulfanyl)ethyl]-2-methylguanidine 34 34 0 0 0 SMALL GASTEIGER @ATOM 1 S 0.9854 0.3518 -0.5427 S.3 1 UNL1111111111 0.0446 2 O 3.9338 1.6404 2.0589 O.3 1 UNL1111111111 -0.5285 3 N 4.1036 -0.8338 -1.5849 N.ar 1 UNL1111111111 -0.3680 4 N -3.0298 -0.1566 0.0126 N.pl3 1 UNL1111111111 -0.5955 5 N 5.6250 0.0550 -0.1915 N.ar 1 UNL1111111111 -0.3764 6 N -5.3865 -0.3901 0.2371 N.pl3 1 UNL1111111111 -0.5634 7 N -4.3743 1.6766 -0.5050 N.pl3 1 UNL1111111111 -0.5414 8 N -5.1551 -2.7771 0.9767 N.1 1 UNL1111111111 -0.2765 9 C 3.4712 -0.6648 -0.3472 C.ar 1 UNL1111111111 0.0144 10 C 2.0848 -1.0683 -0.0991 C.3 1 UNL1111111111 -0.3337 11 C -0.6359 -0.4209 -0.1376 C.3 1 UNL1111111111 -0.3632 12 CA 4.4359 -0.1073 0.5022 C.ar 1 UNL1111111111 -0.0093 13 C -1.7911 0.5698 -0.3350 C.3 1 UNL1111111111 -0.0109 14 C 4.3327 0.2901 1.9298 C.3 1 UNL1111111111 0.0212 15 C 5.4220 -0.3820 -1.4404 C.ar 1 UNL1111111111 0.0870 16 C -4.2636 0.4483 -0.1110 C.cat 1 UNL1111111111 0.5706 17 C -5.6460 2.3569 -0.6298 C.3 1 UNL1111111111 -0.2362 18 C -5.2605 -1.6701 0.6361 C.1 1 UNL1111111111 0.2470 19 H 1.8014 -1.9657 -0.6852 H 1 UNL1111111111 0.1659 20 H 1.9444 -1.3363 0.9718 H 1 UNL1111111111 0.1814 21 H -0.7793 -1.3075 -0.7830 H 1 UNL1111111111 0.1588 22 H -0.6125 -0.7710 0.9100 H 1 UNL1111111111 0.1640 23 H -1.8626 0.9508 -1.3834 H 1 UNL1111111111 0.1617 24 H -1.6990 1.4695 0.3227 H 1 UNL1111111111 0.1665 25 H 3.6684 -1.1769 -2.4121 H 1 UNL1111111111 0.3180 26 H1 5.3007 0.1569 2.4590 H 1 UNL1111111111 0.1431 27 H2 3.5331 -0.2602 2.4648 H 1 UNL1111111111 0.1442 28 H 6.1441 -0.3987 -2.2379 H 1 UNL1111111111 0.1910 29 H -2.9499 -1.1159 0.3006 H 1 UNL1111111111 0.3247 30 H 4.5299 2.2169 1.5342 H 1 UNL1111111111 0.3206 31 H -6.3190 0.0055 0.1916 H 1 UNL1111111111 0.3435 32 H -6.2843 1.9355 -1.4261 H 1 UNL1111111111 0.1344 33 H -5.4121 3.4035 -0.9175 H 1 UNL1111111111 0.1696 34 H -6.2167 2.4019 0.3127 H 1 UNL1111111111 0.1310 @BOND 1 1 10 1 2 1 11 1 3 2 14 1 4 2 30 1 5 3 9 ar 6 3 15 ar 7 3 25 1 8 4 13 1 9 4 16 1 10 4 29 1 11 5 12 ar 12 5 15 ar 13 6 16 1 14 6 18 1 15 6 31 1 16 7 16 2 17 7 17 1 18 8 18 3 19 9 10 1 20 9 12 ar 21 10 19 1 22 10 20 1 23 11 13 1 24 11 21 1 25 11 22 1 26 12 14 1 27 13 23 1 28 13 24 1 29 14 26 1 30 14 27 1 31 15 28 1 32 17 32 1 33 17 33 1 34 17 34 1