@MOLECULE tripotassium 4-(4-biphenylyl)-1-phosphonato-1-butanesulfonate 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 K 2.9710 -2.6449 -1.0851 K 1 UNL1 0.8131 2 K 6.0401 1.1928 -1.3804 K 1 UNL1 0.7731 3 K 2.5744 1.7646 2.1215 K 1 UNL1 0.8148 4 C -5.7986 -0.8568 0.2422 C.ar 1 UNL1 -0.1119 5 C -6.8572 0.0342 -0.1178 C.ar 1 UNL1 0.3657 6 C -6.0244 1.0271 -0.7202 C.ar 1 UNL1 -0.1807 7 C -4.7815 1.1097 -0.8754 C.ar 1 UNL1 0.0366 8 C -3.7635 0.1998 -0.4903 C.ar 1 UNL1 -0.2160 9 C -4.5503 -0.8194 0.1073 C.ar 1 UNL1 -0.0158 10 C -2.4130 0.2843 -0.6252 C.1 1 UNL1 0.3071 11 C -1.1867 0.3554 -0.7214 C.1 1 UNL1 -0.4149 12 C 0.1441 0.4348 -0.8081 C.1 1 UNL1 0.2932 13 C 1.3715 0.4983 -0.8511 C.1 1 UNL1 -0.1888 14 P 3.0179 0.6197 -0.8983 P.3 1 UNL1 0.2605 15 S 4.6542 -0.8582 1.3219 S.3 1 UNL1 2.6837 16 O 5.8759 -0.3063 0.7054 O.3 1 UNL1 -1.0206 17 O 4.4821 -2.3115 1.1242 O.3 1 UNL1 -0.9848 18 O 4.3033 -0.2551 2.6227 O.3 1 UNL1 -0.9826 19 O 3.7009 -0.1049 -2.0268 O.2 1 UNL1 -0.4410 20 O 3.3116 -0.3176 0.4218 O.3 1 UNL1 -0.7846 21 O 3.5599 1.9752 -0.5312 O.3 1 UNL1 -0.4406 22 C -8.2202 -0.0353 0.0654 C.ar 1 UNL1 -0.2293 23 C -9.1680 0.9204 -0.3407 C.ar 1 UNL1 -0.0523 24 C -10.4213 0.8414 -0.1547 C.ar 1 UNL1 -0.1469 25 C -10.9630 -0.2231 0.4812 C.ar 1 UNL1 0.0122 26 C -10.1336 -1.1111 0.8641 C.ar 1 UNL1 -0.1906 27 C -8.7659 -1.2260 0.7670 C.ar 1 UNL1 0.0413 @BOND 1 19 14 2 2 2 16 1 3 1 17 1 4 14 13 1 5 14 21 1 6 14 20 1 7 7 6 ar 8 7 8 ar 9 13 12 3 10 12 11 1 11 11 10 3 12 6 5 ar 13 10 8 1 14 8 9 ar 15 23 24 ar 16 23 22 ar 17 24 25 ar 18 5 22 1 19 5 4 ar 20 22 27 ar 21 9 4 ar 22 20 15 1 23 25 26 ar 24 16 15 1 25 27 26 ar 26 17 15 1 27 15 18 1 28 3 18 1