@MOLECULE n-(2-nitrophenyl)-1,3-propanediamine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 N 5.4874 0.4448 -0.1599 N.3 1 UNL1111 -0.6428 2 C 4.3782 -0.5063 0.0700 C.3 1 UNL1111 -0.0968 3 C 3.0522 0.2689 -0.0240 C.3 1 UNL1111 -0.3038 4 C 1.8691 -0.7040 0.0782 C.3 1 UNL1111 -0.0750 5 N 0.6148 0.0563 0.0350 N.pl3 1 UNL1111 -0.4882 6 C -0.6065 -0.5320 0.0208 C.ar 1 UNL1111 0.3403 7 C -0.7480 -1.9535 0.0265 C.ar 1 UNL1111 -0.3395 8 C -1.7993 0.2520 -0.0068 C.ar 1 UNL1111 -0.2907 9 N -1.7893 1.6806 0.0050 N.pl3 1 UNL1111 0.6725 10 O -2.8523 2.2806 -0.0170 O.2 1 UNL1111 -0.3989 11 O -0.7123 2.2816 0.0393 O.2 1 UNL1111 -0.4921 12 C -1.9915 -2.5378 -0.0112 C.ar 1 UNL1111 0.0085 13 C -3.0594 -0.3833 -0.0452 C.ar 1 UNL1111 0.0189 14 C -3.1621 -1.7554 -0.0509 C.ar 1 UNL1111 -0.2910 15 H 5.5483 1.1386 0.5666 H 1 UNL1111 0.2501 16 H 6.3736 -0.0232 -0.2421 H 1 UNL1111 0.2496 17 H 4.4242 -1.2838 -0.7254 H 1 UNL1111 0.1407 18 H 4.4508 -1.0317 1.0459 H 1 UNL1111 0.1083 19 H 3.0012 1.0395 0.7693 H 1 UNL1111 0.1553 20 H 3.0225 0.8280 -0.9843 H 1 UNL1111 0.1767 21 H 1.8990 -1.4350 -0.7642 H 1 UNL1111 0.1460 22 H 1.9233 -1.2872 1.0276 H 1 UNL1111 0.1422 23 H 0.6799 1.0792 0.0366 H 1 UNL1111 0.3549 24 H 0.1396 -2.5766 0.0612 H 1 UNL1111 0.1642 25 H -2.0836 -3.6262 -0.0100 H 1 UNL1111 0.1463 26 H -3.9632 0.2400 -0.0699 H 1 UNL1111 0.1794 27 H -4.1327 -2.2412 -0.0831 H 1 UNL1111 0.1649 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 2 3 1 5 2 17 1 6 2 18 1 7 3 4 1 8 3 19 1 9 3 20 1 10 4 5 1 11 4 21 1 12 4 22 1 13 5 6 1 14 5 23 1 15 6 7 ar 16 6 8 ar 17 7 12 ar 18 7 24 1 19 8 9 1 20 8 13 ar 21 9 10 2 22 9 11 2 23 12 14 ar 24 12 25 1 25 13 14 ar 26 13 26 1 27 14 27 1