@MOLECULE 3-benzyladenine 28 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -0.3186 -0.4935 0.9965 N.pl3 1 UNL1 -0.2831 2 N -0.9061 1.9099 0.7155 N.ar 1 UNL1 -0.4909 3 N -1.8325 -2.0151 -0.0619 N.2 1 UNL1 -0.5303 4 N -2.8325 1.5730 -0.5242 N.ar 1 UNL1 -0.4014 5 N -3.7354 -1.3365 -1.2415 N.3 1 UNL1 -0.5291 6 C 0.9695 -0.2522 1.6721 C.3 1 UNL1 -0.0930 7 C -1.0766 0.5772 0.5519 C.ar 1 UNL1 0.2090 8 C 2.0604 -0.1064 0.6461 C.ar 1 UNL1 -0.0636 9 C -2.2844 0.3364 -0.2268 C.ar 1 UNL1 -0.1839 10 C -0.7340 -1.7516 0.6352 C.2 1 UNL1 0.2690 11 C -2.6408 -0.9883 -0.5247 C.3 1 UNL1 0.4627 12 C 2.2281 1.1160 -0.0053 C.ar 1 UNL1 -0.1206 13 C 2.8811 -1.1896 0.3317 C.ar 1 UNL1 -0.1480 14 C -1.9991 2.4733 0.0445 C.ar 1 UNL1 0.1467 15 C 3.2118 1.2517 -0.9820 C.ar 1 UNL1 -0.1445 16 C 3.8672 -1.0484 -0.6422 C.ar 1 UNL1 -0.1542 17 C 4.0303 0.1696 -1.3015 C.ar 1 UNL1 -0.1310 18 H 1.1749 -1.0755 2.3925 H 1 UNL1 0.1563 19 H 0.8754 0.6877 2.2828 H 1 UNL1 0.1970 20 H -0.1233 -2.6131 0.9608 H 1 UNL1 0.2019 21 H 1.5769 1.9624 0.2414 H 1 UNL1 0.1877 22 H 2.7568 -2.1430 0.8392 H 1 UNL1 0.1449 23 H -2.1405 3.5417 0.0009 H 1 UNL1 0.1880 24 H 3.3362 2.2033 -1.4970 H 1 UNL1 0.1568 25 H 4.5089 -1.8910 -0.8909 H 1 UNL1 0.1481 26 H 4.7969 0.2742 -2.0671 H 1 UNL1 0.1489 27 H -4.3451 -0.6185 -1.5935 H 1 UNL1 0.3343 28 H -3.9453 -2.2963 -1.4336 H 1 UNL1 0.3221 @BOND 1 26 17 1 2 27 5 1 3 24 15 1 4 28 5 1 5 17 15 ar 6 17 16 ar 7 5 11 1 8 15 12 ar 9 25 16 1 10 16 13 ar 11 11 9 1 12 11 3 1 13 4 9 ar 14 4 14 ar 15 9 7 ar 16 3 10 2 17 12 21 1 18 12 8 ar 19 23 14 1 20 14 2 ar 21 13 8 ar 22 13 22 1 23 7 2 ar 24 7 1 1 25 10 20 1 26 10 1 1 27 8 6 1 28 1 6 1 29 6 19 1 30 6 18 1