@MOLECULE 1-{4-[({2-[(4-amino-1-oxido-2,5-dihydro-1,2,5-thiadiazol-3-yl)amino]ethyl}sulfanyl)methyl]-1,3-thiazol-2-yl}guanidine 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.4744 -1.8077 0.3316 S.3 1 UNL1 -0.0004 2 S 6.1801 0.4580 0.6475 S.2 1 UNL1 1.4501 3 S -5.3572 -1.4148 0.4496 S.2 1 UNL1 0.2219 4 O 7.1149 0.0683 -0.4024 O.2 1 UNL1 -0.7309 5 N 2.4935 -0.5316 -0.2672 N.pl3 1 UNL1 -0.4930 6 N 4.7442 -0.6060 0.5190 N.ar 1 UNL1 -0.7296 7 N -3.3168 0.0016 -0.3729 N.ar 1 UNL1 -0.5576 8 N 5.2319 1.8483 0.0075 N.ar 1 UNL1 -0.7071 9 N 3.0198 2.3772 -0.6760 N.pl3 1 UNL1 -0.5901 10 N -5.2523 1.2923 0.3426 N.pl3 1 UNL1 -0.6083 11 N -5.7276 3.5507 0.1579 N.pl3 1 UNL1 -0.6097 12 N -3.4867 2.8758 -0.1810 N.pl3 1 UNL1 -0.6479 13 C 2.2859 -1.9456 0.1174 C.3 1 UNL1 -0.0701 14 C 1.0102 -2.4787 -0.5261 C.3 1 UNL1 -0.3453 15 C -1.6481 -1.6613 -1.0795 C.3 1 UNL1 -0.3244 16 C 3.7166 0.0135 0.0310 C.ar 1 UNL1 0.3156 17 C -2.9749 -1.3458 -0.5054 C.ar 1 UNL1 0.1813 18 C 4.0189 1.5120 -0.2784 C.ar 1 UNL1 0.3136 19 C -3.9333 -2.2409 -0.1108 C.ar 1 UNL1 -0.4039 20 C -4.5518 0.1527 0.1086 C.ar 1 UNL1 0.3082 21 C -4.7910 2.5196 0.1036 C.cat 1 UNL1 0.6157 22 H 3.1702 -2.5352 -0.2445 H 1 UNL1 0.1779 23 H 2.2880 -2.0649 1.2261 H 1 UNL1 0.1521 24 H 0.9854 -2.2294 -1.6037 H 1 UNL1 0.1698 25 H 0.9907 -3.5848 -0.4608 H 1 UNL1 0.1685 26 H 1.6746 0.0659 -0.1884 H 1 UNL1 0.3160 27 H -1.6742 -2.6028 -1.6620 H 1 UNL1 0.1696 28 H -1.3115 -0.8614 -1.7722 H 1 UNL1 0.1790 29 H -3.8617 -3.3115 -0.1190 H 1 UNL1 0.1923 30 H 3.3003 3.3294 -0.8652 H 1 UNL1 0.3091 31 H 2.3092 2.0278 -1.2920 H 1 UNL1 0.2983 32 H -6.6554 3.2953 0.4680 H 1 UNL1 0.3220 33 H -5.4298 4.4665 0.4306 H 1 UNL1 0.2984 34 H -3.2605 3.7708 -0.5617 H 1 UNL1 0.3054 35 H -2.8341 2.1189 -0.3811 H 1 UNL1 0.3535 @BOND 1 28 15 1 2 27 15 1 3 24 14 1 4 31 9 1 5 15 17 1 6 15 1 1 7 30 9 1 8 9 18 1 9 34 12 1 10 14 25 1 11 14 13 1 12 14 1 1 13 17 7 ar 14 17 19 ar 15 4 2 2 16 35 12 1 17 7 20 ar 18 18 8 ar 19 18 16 ar 20 5 26 1 21 5 16 1 22 5 13 1 23 22 13 1 24 12 21 1 25 29 19 1 26 19 3 ar 27 8 2 ar 28 16 6 ar 29 21 11 1 30 21 10 2 31 20 10 1 32 20 3 ar 33 13 23 1 34 11 33 1 35 11 32 1 36 6 2 ar