@MOLECULE thiazolium, 3-[(2-amino-6-methyl-3-pyridinyl)methyl]-5-[2-[[hydroxy(phosphonooxy)phosphinyl]oxy]ethyl]-4-methyl-, inner salt 26 27 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.0548 -3.3350 -0.6419 S.3 1 UNL1 -0.3315 2 P 3.6413 1.2693 -1.1653 P.3 1 UNL1 0.3825 3 P 5.3033 0.3203 1.3607 P.3 1 UNL1 0.3519 4 O 3.0577 -0.5027 -1.2692 O.3 1 UNL1 -0.1055 5 O 4.6785 0.8829 -0.0408 O.3 1 UNL1 -0.1215 6 O 2.4465 1.9714 -0.7765 O.3 1 UNL1 -0.2516 7 O 4.4562 1.2031 -2.3598 O.2 1 UNL1 -0.1689 8 O 6.7160 0.7674 1.4520 O.3 1 UNL1 -0.1323 9 O 5.5774 -1.1384 1.3629 O.2 1 UNL1 -0.1644 10 O 4.1109 0.9857 1.9617 O.3 1 UNL1 -0.1265 11 N -2.7828 -1.6023 -0.0220 N.pl3 1 UNL1 -0.2286 12 N -6.9658 1.2167 0.9102 N.ar 1 UNL1 -0.2890 13 N -6.2443 -0.7430 1.9142 N.pl3 1 UNL1 -0.1565 14 C -1.5411 -0.8557 -0.0435 C.2 1 UNL1 -0.5458 15 C -0.4247 -1.7041 -0.4571 C.2 1 UNL1 0.3630 16 C -3.8986 -0.9407 0.2614 C.3 1 UNL1 0.0785 17 C 0.7981 -1.2941 -0.6946 C.1 1 UNL1 -0.5208 18 C -4.7746 0.0267 0.1506 C.ar 1 UNL1 -0.0598 19 C -2.7947 -2.9625 -0.2742 C.3 1 UNL1 0.4708 20 C -1.3162 0.4389 0.2478 C.3 1 UNL1 0.6082 21 C 1.9759 -0.8964 -0.9693 C.1 1 UNL1 0.5391 22 C -6.0279 0.1509 1.0332 C.ar 1 UNL1 0.2344 23 C -4.8007 1.1153 -0.7401 C.ar 1 UNL1 -0.0626 24 C -5.6397 2.0478 -0.8232 C.ar 1 UNL1 -0.0516 25 C -6.8018 2.2090 -0.0312 C.ar 1 UNL1 -0.2695 26 C -7.7059 3.2294 -0.1582 C.3 1 UNL1 0.5581 @BOND 1 7 2 2 2 4 2 1 3 4 21 1 4 2 6 1 5 2 5 1 6 21 17 3 7 24 23 ar 8 24 25 ar 9 23 18 ar 10 17 15 1 11 1 15 1 12 1 19 1 13 15 14 2 14 19 11 1 15 26 25 1 16 14 11 1 17 14 20 1 18 5 3 1 19 25 12 ar 20 11 16 1 21 18 16 1 22 18 22 ar 23 12 22 ar 24 22 13 1 25 3 9 2 26 3 8 1 27 3 10 1