@MOLECULE 3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-(3-hydroxy-1-oxo-2-butanyl)-4-methyl-4,5-dihydro-1h-pyrrole-2-carboxylate 24 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.9733 -0.2607 -1.4508 C.2 1 UNL1 0.4959 2 C -0.1148 -0.1254 -2.2185 C.1 1 UNL1 0.0705 3 C -1.4759 2.5454 0.2865 C.3 1 UNL1 0.5150 4 C -2.1383 2.8945 -0.7597 C.1 1 UNL1 -1.0245 5 C -2.1787 -0.8371 0.7903 C.ar 1 UNL1 -0.7102 6 C -2.7611 3.2529 -1.8263 C.1 1 UNL1 0.5091 7 C 2.2331 2.2177 2.8990 C.2 2 UNL2 0.4817 8 C -0.5696 -0.6778 -0.9915 C.ar 1 UNL1 0.0860 9 C 0.2325 -1.2552 -0.0799 C.ar 1 UNL1 -0.4482 10 C 1.6589 -1.4648 -0.1030 C.3 1 UNL1 0.3680 11 C 4.1647 0.5920 -0.0723 C.1 2 UNL2 0.0571 12 C -5.8607 0.5723 0.4017 C.2 3 UNL3 0.5371 13 O -0.7999 -2.9317 1.7285 O.2 1 UNL1 -0.7560 14 O -4.7804 0.3769 0.0741 O.2 3 UNL3 -0.5204 15 C -3.2114 -0.6784 1.5793 C.2 1 UNL1 0.4154 16 N 0.2726 0.3899 -3.1802 N.1 1 UNL1 -0.1883 17 O 3.9149 1.2852 -2.1869 O.2 2 UNL2 -0.0195 18 O 2.8286 2.6165 3.7866 O.2 2 UNL2 -0.4817 19 C -1.9743 -0.5434 -0.6122 C.ar 1 UNL1 -0.4788 20 S -0.6352 -1.4946 1.5007 S.2 1 UNL1 1.3210 21 C 2.7060 -3.3444 -1.4504 C.1 1 UNL1 0.4363 22 N 3.8476 1.5644 -1.0436 N.2 2 UNL2 0.1180 23 N 2.1421 -2.4671 -0.8481 N.1 1 UNL1 -0.6280 24 N 4.3786 -0.0810 0.8444 N.1 2 UNL2 -0.1554 @BOND 1 16 2 3 2 2 8 1 3 17 22 2 4 6 4 3 5 1 19 2 6 21 23 3 7 22 11 1 8 8 19 ar 9 8 9 ar 10 23 10 1 11 4 3 1 12 19 5 ar 13 10 9 1 14 9 20 ar 15 11 24 3 16 14 12 2 17 5 20 ar 18 5 15 2 19 20 13 2 20 7 18 2