@MOLECULE n-(3-{3-[(4-methyl-1-piperidinyl)methyl]phenoxy}propyl)-1,2,5-thiadiazole-3,4-diamine 1-oxide 26 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 7.7958 -3.7207 -0.6427 C.3 1 UNL1 0.4859 2 C 6.6999 -2.9029 -0.2259 C.3 1 UNL1 -0.4329 3 C 6.0491 -1.8053 0.0250 C.1 1 UNL1 0.4016 4 C 5.4108 -0.7369 0.2434 C.1 1 UNL1 -0.4398 5 N 4.7336 0.2999 0.4082 N.pl3 1 UNL1 0.3126 6 C 5.8325 -5.4093 0.0279 C.2 1 UNL1 0.4459 7 C 6.5324 -4.3470 -0.2054 C.2 1 UNL1 -0.7630 8 C 4.0715 1.2508 0.5441 C.3 1 UNL1 -0.0832 9 C 3.2323 2.3563 0.5868 C.ar 1 UNL1 0.0325 10 C 3.3659 3.5019 1.3752 C.ar 1 UNL1 0.0583 11 C 2.5086 4.4995 1.3040 C.ar 1 UNL1 -0.0482 12 C 1.4572 4.5522 0.5116 C.ar 1 UNL1 0.0368 13 C 1.1847 3.4957 -0.3484 C.ar 1 UNL1 0.0459 14 C 2.1028 2.4717 -0.2246 C.ar 1 UNL1 0.0407 15 O 0.1894 3.5644 -1.3244 O.3 1 UNL1 -0.0459 16 C -0.7176 2.6504 -1.1716 C.3 1 UNL1 0.1425 17 C -1.6075 1.8096 -1.0410 C.1 1 UNL1 -0.1751 18 C -2.6296 0.9803 -0.9042 C.1 1 UNL1 0.2350 19 N -3.6994 0.4230 -1.0255 N.pl3 1 UNL1 -0.2775 20 C -4.4764 -0.5225 -0.4249 C.ar 1 UNL1 0.3552 21 C -5.7475 -0.0614 0.3911 C.ar 1 UNL1 0.1283 22 N -6.5141 -1.1031 0.6954 N.ar 1 UNL1 -0.4853 23 S -5.8408 -2.6632 0.0541 S.2 1 UNL1 1.4366 24 O -5.4085 -3.4247 1.2130 O.2 1 UNL1 -0.6808 25 N -4.4350 -1.7947 -0.6202 N.ar 1 UNL1 -0.6434 26 N -5.9683 1.1975 0.6996 N.pl3 1 UNL1 -0.0827 @BOND 1 15 16 1 2 15 13 1 3 16 17 1 4 17 18 3 5 19 18 1 6 19 20 1 7 1 2 1 8 1 7 1 9 25 20 ar 10 25 23 ar 11 20 21 ar 12 13 14 ar 13 13 12 ar 14 2 7 1 15 2 3 1 16 14 9 ar 17 7 6 2 18 3 4 3 19 23 22 ar 20 23 24 2 21 4 5 1 22 21 22 ar 23 21 26 1 24 5 8 1 25 12 11 ar 26 8 9 1 27 9 10 ar 28 11 10 ar