@MOLECULE (2z)-n-(3-nitrophenyl)-4-[3-(1h-1,2,4-triazol-1-ylmethyl)phenyl]-2(5h)-pyrimidinimine 28 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 1.8728 -0.5409 -2.3569 C.1 1 UNL1 0.4518 2 N 3.0255 -0.5185 -2.0470 N.1 1 UNL1 -0.5288 3 C 4.2908 -0.5350 -1.6534 C.1 1 UNL1 0.3044 4 N 5.3990 -0.5447 -1.3131 N.1 1 UNL1 -0.2299 5 N 3.1500 -0.9073 2.4345 N.1 2 UNL2 -0.1896 6 C 2.7056 0.0213 1.9069 C.1 2 UNL2 0.1442 7 C 2.1506 1.1573 1.2760 C.ar 2 UNL2 -0.1724 8 C 0.8228 1.2429 0.8900 C.ar 2 UNL2 0.1950 9 C 2.8716 2.3176 0.9936 C.ar 2 UNL2 0.2366 10 C 2.2849 3.3903 0.4015 C.ar 2 UNL2 -0.1452 11 C 1.0261 3.3289 0.1041 C.ar 2 UNL2 0.1308 12 C 0.1294 2.2881 0.2982 C.ar 2 UNL2 -0.1567 13 C -1.2723 2.2648 -0.0260 C.3 2 UNL2 0.2741 14 N -1.9349 1.0764 0.0140 N.2 2 UNL2 -0.4272 15 C -2.0710 3.3546 -0.3580 C.2 2 UNL2 -0.0836 16 C -3.3739 3.1939 -0.5950 C.2 2 UNL2 0.1592 17 N -4.0894 2.1116 -0.5780 N.2 2 UNL2 -0.2666 18 C -3.2900 0.9922 -0.2520 C.1 2 UNL2 0.3665 19 N -3.9080 -0.2198 -0.1908 N.pl3 2 UNL2 -0.2005 20 C -3.1240 -1.3347 -0.0046 C.ar 2 UNL2 -0.0776 21 C -1.7143 -1.3556 0.0165 C.ar 2 UNL2 0.2187 22 C -3.7098 -2.6057 0.1528 C.ar 2 UNL2 0.2513 23 C -2.8888 -3.6723 0.3075 C.ar 2 UNL2 -0.1487 24 C -1.5963 -3.5557 0.3093 C.ar 2 UNL2 0.1506 25 C -0.8335 -2.4064 0.1610 C.ar 2 UNL2 -0.1762 26 N 0.6023 -2.3075 0.1202 N.pl3 2 UNL2 0.6821 27 O 1.2478 -3.3296 0.1948 O.2 2 UNL2 -0.3254 28 O 1.0810 -1.1883 -0.0086 O.2 2 UNL2 -0.4369 @BOND 1 1 2 3 2 2 3 1 3 3 4 3 4 16 17 1 5 16 15 2 6 17 18 2 7 15 13 1 8 18 19 1 9 18 14 2 10 19 20 1 11 13 14 1 12 13 12 1 13 28 26 2 14 20 21 ar 15 20 22 ar 16 21 25 ar 17 11 12 ar 18 11 10 ar 19 26 25 1 20 26 27 2 21 22 23 ar 22 25 24 ar 23 12 8 ar 24 23 24 ar 25 10 9 ar 26 8 7 ar 27 9 7 ar 28 7 6 1 29 6 5 3