@MOLECULE 6-amino-9-[2-(methoxycarbonyl)phenyl]-3h-xanthen-3-iminium 26 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1815 0.6620 0.4074 O.2 1 UNL1 -0.1352 2 O -1.1783 0.3420 -2.1399 O.2 1 UNL1 -0.5143 3 O 3.5676 2.2436 0.0794 O.2 1 UNL1 -0.3524 4 N -5.0157 -2.6528 0.3734 N.1 1 UNL1 -0.1726 5 N -2.7110 4.5405 0.4286 N.1 1 UNL1 -0.2374 6 C 0.5645 -0.6559 0.2374 C.ar 1 UNL1 -0.0889 7 C -0.5812 -1.3507 0.2824 C.ar 1 UNL1 0.1550 8 C 0.3375 0.7695 0.2754 C.ar 1 UNL1 0.0501 9 C 1.9407 -1.0688 0.1413 C.ar 1 UNL1 0.0976 10 C -1.9219 -0.6658 0.3572 C.ar 1 UNL1 0.1259 11 C -1.0291 1.3882 0.3493 C.ar 1 UNL1 0.2787 12 C -1.2913 -2.6324 0.2861 C.2 1 UNL1 -0.5775 13 C 1.2616 1.7501 0.2433 C.ar 1 UNL1 -0.3690 14 C 2.9867 -0.0337 0.0884 C.ar 1 UNL1 -0.1296 15 C -2.5921 -1.8511 0.3455 C.3 1 UNL1 0.0194 16 C -0.9014 2.7366 0.3665 C.ar 1 UNL1 -0.3845 17 C 2.4151 -2.3571 0.0821 C.ar 1 UNL1 -0.1674 18 C -3.9167 -2.2874 0.3629 C.1 1 UNL1 0.1092 19 C -1.8933 3.7199 0.4037 C.1 1 UNL1 0.1602 20 C -0.9446 -3.9092 0.2680 C.2 1 UNL1 0.5617 21 C 0.5886 3.1138 0.3696 C.ar 1 UNL1 0.4537 22 C 4.2417 -0.5707 -0.0116 C.ar 1 UNL1 0.0496 23 C 3.6412 -2.7095 -0.0128 C.ar 1 UNL1 0.1031 24 C 4.6145 -1.7947 -0.0632 C.ar 1 UNL1 -0.0417 25 C 2.6837 1.4282 0.1360 C.ar 1 UNL1 0.4904 26 C -1.4706 0.4534 -3.2407 C.2 1 UNL1 0.5159 @BOND 1 26 2 2 2 24 23 ar 3 24 22 ar 4 23 17 ar 5 22 14 ar 6 3 25 2 7 17 9 ar 8 14 25 ar 9 14 9 ar 10 25 13 ar 11 9 6 ar 12 6 8 ar 13 6 7 ar 14 13 8 ar 15 13 21 ar 16 20 12 2 17 8 11 ar 18 7 12 1 19 7 10 ar 20 12 15 1 21 15 10 1 22 15 18 1 23 11 16 ar 24 11 1 ar 25 10 1 ar 26 18 4 3 27 16 21 ar 28 16 19 1 29 19 5 3