@MOLECULE 4-[(5z)-4-amino-5-(7-methoxy-2h-indol-2-ylidene)-1,5-dihydroimidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexanecarboxylic acid 30 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.1342 4.1928 0.0214 C.2 1 UNL1 0.5585 2 O 0.1257 3.6506 0.0713 O.2 1 UNL1 -0.5469 3 C -2.9851 3.8765 -0.0325 C.2 1 UNL1 -0.2497 4 C -4.2210 4.0500 -0.0803 C.2 1 UNL1 0.2900 5 C -5.3546 3.3235 -0.1150 C.2 1 UNL1 -0.1586 6 C -5.5600 2.0925 -0.1109 C.2 1 UNL1 0.1976 7 C -4.8575 0.9409 -0.0733 C.2 1 UNL1 -0.0860 8 C -3.7195 0.4600 -0.0256 C.1 1 UNL1 0.0491 9 C -2.3260 0.4330 0.0291 C.2 1 UNL1 -0.1028 10 C -1.4936 -0.7269 0.0773 C.2 1 UNL1 0.4220 11 C -1.9222 -2.0428 0.0810 C.2 1 UNL1 -0.1463 12 C -3.2981 -2.3688 0.0842 C.1 1 UNL1 0.0694 13 N -2.8207 -5.9160 -0.2098 N.1 1 UNL1 -0.1426 14 C -2.0353 -5.0713 -0.1013 C.1 1 UNL1 0.0947 15 N -0.9428 -4.2330 0.0230 N.2 1 UNL1 -0.0072 16 N -0.8941 -3.0190 0.0969 N.2 1 UNL1 -0.0344 17 C 1.0337 -0.4029 0.0835 C.3 1 UNL1 0.5079 18 N -0.1313 -0.4840 0.1219 N.pl3 1 UNL1 -0.2322 19 C 2.3901 -0.2398 0.0724 C.ar 1 UNL1 -0.1543 20 C 3.3838 -1.1676 0.4603 C.ar 1 UNL1 0.0091 21 C 4.6333 -0.9804 0.4186 C.ar 1 UNL1 -0.0707 22 C 5.4454 0.0867 0.0033 C.ar 1 UNL1 0.1758 23 C 4.3986 0.9575 -0.3558 C.ar 1 UNL1 -0.0354 24 C 3.1357 0.8862 -0.3480 C.ar 1 UNL1 -0.0706 25 C 7.0857 0.2487 -0.0848 C.2 1 UNL1 0.7240 26 O 7.4800 -0.3539 -1.0561 O.co2 1 UNL1 -0.5777 27 O 7.4742 0.9323 0.8331 O.co2 1 UNL1 -0.5828 28 N -4.4228 -2.6428 0.0931 N.1 1 UNL1 -0.1474 29 N -1.7822 1.6979 0.0348 N.pl3 1 UNL1 -0.1508 30 C -2.1344 2.8411 0.0123 C.3 1 UNL1 0.3981 @BOND 1 26 25 ar 2 23 24 ar 3 23 22 ar 4 24 19 ar 5 13 14 3 6 5 6 2 7 5 4 1 8 6 7 1 9 14 15 1 10 25 22 1 11 25 27 ar 12 4 3 2 13 7 8 2 14 3 30 1 15 8 9 2 16 22 21 ar 17 30 29 1 18 1 2 2 19 15 16 2 20 9 29 1 21 9 10 1 22 19 17 1 23 19 20 ar 24 10 11 2 25 10 18 1 26 11 12 1 27 11 16 1 28 17 18 1 29 12 28 3 30 21 20 ar