@MOLECULE 4-({5-[(trans-4-aminocyclohexyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)benzenesulfonamide 28 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.7615 -0.6021 0.4870 O.3 1 UNL1 -0.7439 2 S 5.3210 0.6720 0.0381 S.3 1 UNL1 2.0049 3 O 5.7221 1.3683 -1.3891 O.3 1 UNL1 -0.4383 4 N 6.0832 2.0765 -0.0963 N.4 1 UNL1 -0.5805 5 C 3.6206 0.6954 0.1610 C.3 1 UNL1 -0.3681 6 C 2.4794 0.0099 0.4094 C.2 1 UNL1 0.1749 7 C 1.3335 -0.6793 0.5398 C.2 1 UNL1 -0.1933 8 C 0.1086 2.2312 -0.1235 C.3 1 UNL1 0.3849 9 C 1.3736 2.1650 -0.1431 C.3 1 UNL1 -0.3022 10 C 2.4716 1.4811 0.0177 C.2 1 UNL1 0.2154 11 N -1.1401 2.3814 -0.0532 N.2 1 UNL1 -0.4370 12 C -2.1122 1.5024 0.3227 C.2 1 UNL1 0.3822 13 N -3.0342 2.1758 1.1915 N.2 1 UNL1 0.0130 14 N -3.9597 2.9212 1.0195 N.2 1 UNL1 -0.2462 15 C -4.8392 3.3930 -0.0463 C.3 1 UNL1 0.5702 16 C -4.8950 1.1528 -0.7608 C.3 1 UNL1 0.4809 17 N -5.2298 2.3688 -0.8527 N.3 1 UNL1 -0.5635 18 N -4.6639 -0.0332 -0.5768 N.2 1 UNL1 -0.3109 19 C -3.4327 -0.6090 -0.2777 C.2 1 UNL1 0.3450 20 C -2.2195 0.1212 0.1037 C.3 1 UNL1 -0.3233 21 N -3.2464 -1.9368 -0.3780 N.2 1 UNL1 -0.2943 22 C -1.9152 -2.1622 -0.0528 C.2 1 UNL1 0.2018 23 C -1.2341 -0.9477 0.2031 C.2 1 UNL1 -0.1041 24 C 0.1143 -0.8337 0.4394 C.1 1 UNL1 0.1744 25 C -0.3933 -5.8440 0.0144 C.1 1 UNL1 0.1491 26 N 0.0483 -6.9164 0.0220 N.1 1 UNL1 -0.1784 27 C -0.9182 -4.5780 -0.0028 C.1 1 UNL1 -0.0487 28 C -1.3833 -3.4545 -0.0259 C.1 1 UNL1 0.0359 @BOND 1 3 4 1 2 3 2 1 3 17 16 1 4 17 15 1 5 16 18 1 6 18 19 2 7 21 19 1 8 21 22 2 9 19 20 1 10 9 8 1 11 9 10 1 12 8 11 1 13 4 2 1 14 11 12 2 15 22 28 1 16 22 23 1 17 15 14 1 18 28 27 3 19 27 25 1 20 25 26 3 21 10 5 1 22 10 6 2 23 2 5 1 24 2 1 1 25 20 23 1 26 20 12 1 27 5 6 1 28 23 24 2 29 12 13 1 30 6 7 1 31 24 7 2 32 14 13 2