@MOLECULE [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methyl-1-piperazinyl)methanone 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.3833 3.8739 0.0217 C.2 1 UNL1 0.6283 2 C -0.9943 2.8956 -1.0446 C.2 1 UNL1 -0.5361 3 C -0.9772 2.9306 -2.3603 C.1 1 UNL1 0.5910 4 C -0.1991 0.6908 -0.0132 C.1 1 UNL1 -0.2313 5 C -0.6370 1.9181 -0.0040 C.2 1 UNL1 0.3461 6 C -1.0058 2.8649 1.0619 C.2 1 UNL1 -0.5363 7 C -1.0061 2.8513 2.3781 C.1 1 UNL1 0.5909 8 O -1.0121 2.8511 3.5297 O.2 1 UNL1 -0.1774 9 O -0.9684 2.9782 -3.5108 O.2 1 UNL1 -0.1778 10 O -1.8098 4.9797 0.0346 O.2 1 UNL1 -0.4047 11 C 0.2164 -0.5414 -0.0148 C.ar 1 UNL1 0.2335 12 N 1.5114 -1.1020 -0.0143 N.ar 1 UNL1 -0.3946 13 C 1.3113 -2.6152 -0.0204 C.ar 1 UNL1 0.3282 14 N -0.0426 -2.8856 -0.0230 N.ar 1 UNL1 -0.3502 15 N -0.6972 -1.7252 -0.0183 N.ar 1 UNL1 0.3271 16 C 2.6988 -0.4552 -0.0070 C.ar 1 UNL1 0.2016 17 C 3.9317 -1.2242 -0.0039 C.ar 1 UNL1 -0.2547 18 C 3.6370 -2.5312 -0.0107 C.ar 1 UNL1 0.1532 19 C 2.5202 -3.1642 -0.0189 C.ar 1 UNL1 -0.2713 20 N -4.3733 -0.9673 0.0025 N.pl3 1 UNL1 -0.2236 21 N -7.9895 -2.2656 -0.0077 N.1 1 UNL1 -0.4591 22 C -9.1284 -2.6192 -0.0095 C.1 1 UNL1 0.3975 23 BR 5.5746 -0.3681 0.0105 Br 1 UNL1 0.0285 24 C -3.2264 -1.4198 -0.0066 C.1 1 UNL1 0.3847 25 C -1.9612 -1.5831 -0.0134 C.1 1 UNL1 -0.3310 26 C -6.7426 -1.8735 -0.0049 C.1 1 UNL1 0.1275 27 C -5.5731 -1.5158 0.0004 C.1 1 UNL1 0.0099 @BOND 1 9 3 2 2 3 2 2 3 2 5 1 4 2 1 1 5 14 13 ar 6 14 15 ar 7 13 19 ar 8 13 12 ar 9 19 18 ar 10 15 11 ar 11 15 25 1 12 11 12 ar 13 11 4 2 14 12 16 ar 15 25 24 3 16 4 5 2 17 18 17 ar 18 22 21 3 19 21 26 1 20 16 17 ar 21 24 20 1 22 26 27 3 23 5 6 1 24 17 23 1 25 27 20 1 26 1 10 2 27 1 6 1 28 6 7 2 29 7 8 2