@MOLECULE thiazolium, 5-(2-(3-(1h-indol-3-yl)-1-oxopropoxy)ethyl)-3,4-dimethyl- 23 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 5.6088 0.5346 1.3573 S.3 1 UNL1 0.7704 2 O 0.6297 0.6417 0.3659 O.3 1 UNL1 -0.2371 3 O 0.6201 1.7212 -1.6540 O.2 1 UNL1 -0.3774 4 N -6.1970 1.4221 0.0847 N.3 1 UNL1 -0.1675 5 N 6.4437 -1.0512 -0.4323 N.pl3 1 UNL1 -0.3435 6 C -3.9019 0.4081 -0.3476 C.2 1 UNL1 -0.1120 7 C -2.5718 0.8146 -0.4439 C.1 1 UNL1 0.1064 8 C -4.2875 -0.9454 -0.4566 C.1 1 UNL1 0.0137 9 C -7.1198 0.6897 0.7112 C.3 1 UNL1 0.0152 10 C -1.3898 1.0674 -0.5689 C.1 1 UNL1 -0.1890 11 C 3.1235 0.2796 0.2914 C.1 1 UNL1 -0.0863 12 C 4.4581 -0.0304 0.2672 C.3 1 UNL1 -0.3902 13 C -5.0113 1.1245 -0.0272 C.3 1 UNL1 0.2993 14 C 5.0758 -0.9301 -0.7418 C.2 1 UNL1 -0.2666 15 C 1.9253 0.4945 0.2888 C.1 1 UNL1 0.0374 16 C -5.0153 -1.9232 -0.2576 C.2 1 UNL1 -0.0588 17 C 0.0070 1.2387 -0.7484 C.2 1 UNL1 0.5994 18 C -7.6284 -0.4368 0.8329 C.2 1 UNL1 0.0530 19 C 6.8113 -0.2452 0.7308 C.3 1 UNL1 -0.5741 20 C 4.3730 -1.4796 -1.7370 C.2 1 UNL1 0.4059 21 C -6.2371 -2.2829 0.2045 C.3 1 UNL1 0.0573 22 C -7.2615 -1.7244 0.6351 C.2 1 UNL1 -0.0501 23 C 7.7268 -1.1260 -0.1347 C.3 1 UNL1 0.4943 @BOND 1 20 14 2 2 3 17 2 3 17 10 1 4 17 2 1 5 14 5 1 6 14 12 1 7 10 7 3 8 8 6 2 9 8 16 2 10 7 6 1 11 5 23 1 12 5 19 1 13 6 13 1 14 16 21 1 15 23 19 1 16 13 4 1 17 4 9 1 18 21 22 1 19 12 11 1 20 12 1 1 21 15 11 3 22 15 2 1 23 22 18 2 24 9 18 1 25 19 1 1