@MOLECULE [2-nitro(1,2-~2~h_2_)propyl]benzene 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.5535 0.5885 0.7692 O.2 1 UNL1 -0.3995 2 O -3.0449 -0.1095 -1.2018 O.2 1 UNL1 -0.3984 3 N -2.7542 0.1886 -0.0584 N.pl3 1 UNL1 0.5791 4 C -1.3181 0.0556 0.3811 C.3 1 UNL1 -0.0378 5 C -0.4073 -0.0682 -0.8512 C.3 1 UNL1 -0.3102 6 C 1.0313 0.0153 -0.4437 C.ar 1 UNL1 0.0084 7 C -1.2233 -1.1631 1.2947 C.3 1 UNL1 -0.4620 8 C 1.8228 -1.1344 -0.4237 C.ar 1 UNL1 -0.1717 9 C 1.5873 1.2472 -0.0905 C.ar 1 UNL1 -0.1757 10 C 3.1628 -1.0517 -0.0509 C.ar 1 UNL1 -0.1376 11 C 2.9266 1.3258 0.2830 C.ar 1 UNL1 -0.1341 12 C 3.7162 0.1771 0.3037 C.ar 1 UNL1 -0.1580 13 H -1.0654 0.9875 0.9569 H 1 UNL1 0.1754 14 H -0.6453 0.7281 -1.5920 H 1 UNL1 0.1752 15 H -0.6234 -1.0144 -1.3939 H 1 UNL1 0.1757 16 H -1.5062 -2.0925 0.7832 H 1 UNL1 0.1654 17 H -1.8692 -1.0617 2.1792 H 1 UNL1 0.1715 18 H -0.1924 -1.2937 1.6560 H 1 UNL1 0.1718 19 H 1.3985 -2.0969 -0.7031 H 1 UNL1 0.1545 20 H 0.9782 2.1487 -0.1128 H 1 UNL1 0.1543 21 H 3.7791 -1.9491 -0.0390 H 1 UNL1 0.1506 22 H 3.3593 2.2868 0.5562 H 1 UNL1 0.1508 23 H 4.7632 0.2403 0.5930 H 1 UNL1 0.1523 @BOND 1 14 5 1 2 15 5 1 3 2 3 2 4 5 6 1 5 5 4 1 6 19 8 1 7 6 8 ar 8 6 9 ar 9 8 10 ar 10 20 9 1 11 9 11 ar 12 3 4 1 13 3 1 2 14 10 21 1 15 10 12 ar 16 11 12 ar 17 11 22 1 18 12 23 1 19 4 13 1 20 4 7 1 21 16 7 1 22 7 18 1 23 7 17 1