@MOLECULE l-4-nitrophe 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.4393 1.0857 0.4202 C.ar 1 UNL1111111111 -0.1731 2 C 1.7996 1.1458 0.1482 C.ar 1 UNL1111111111 -0.0839 3 C 2.5215 -0.0473 0.0395 C.ar 1 UNL1111111111 -0.0964 4 C 1.9003 -1.2891 0.1953 C.ar 1 UNL1111111111 -0.0819 5 C 0.5369 -1.3348 0.4658 C.ar 1 UNL1111111111 -0.1952 6 C -0.1961 -0.1500 0.5805 C.ar 1 UNL1111111111 0.0696 7 N 3.9461 0.0058 -0.2437 N.pl3 1 UNL1111111111 0.6228 8 O 4.4679 1.1016 -0.3775 O.2 1 UNL1111111111 -0.4010 9 O 4.5570 -1.0473 -0.3358 O.2 1 UNL1111111111 -0.4015 10 C -1.6632 -0.2035 0.8798 C.3 1 UNL1111111111 -0.3010 11 CA -2.4791 0.3784 -0.2971 C.3 1 UNL1111111111 0.0067 12 C -3.8736 -0.2443 -0.2822 C.2 1 UNL1111111111 0.5703 13 O -4.9154 0.3128 -0.0648 O.2 1 UNL1111111111 -0.5000 14 OXT -3.8152 -1.5645 -0.5696 O.3 1 UNL1111111111 -0.5544 15 N -2.5561 1.8390 -0.1924 N.3 1 UNL1111111111 -0.6286 16 H -0.1484 2.0068 0.4940 H 1 UNL1111111111 0.1920 17 H 2.3018 2.1088 0.0193 H 1 UNL1111111111 0.1837 18 H 2.4823 -2.2116 0.1041 H 1 UNL1111111111 0.1835 19 H 0.0433 -2.2991 0.5840 H 1 UNL1111111111 0.1663 20 H -1.8779 0.3604 1.8145 H 1 UNL1111111111 0.1725 21 H -1.9891 -1.2464 1.0854 H 1 UNL1111111111 0.1702 22 HA -1.9753 0.1112 -1.2695 H 1 UNL1111111111 0.1853 23 HXT -4.6992 -2.0126 -0.5853 H 1 UNL1111111111 0.3610 24 H1 -3.0917 2.1422 0.6097 H 1 UNL1111111111 0.2673 25 H2 -2.9448 2.2645 -1.0216 H 1 UNL1111111111 0.2659 @BOND 1 1 2 ar 2 6 1 ar 3 1 16 1 4 2 3 ar 5 2 17 1 6 3 4 ar 7 3 7 1 8 4 5 ar 9 4 18 1 10 5 6 ar 11 5 19 1 12 6 10 1 13 7 8 2 14 7 9 2 15 10 11 1 16 10 20 1 17 10 21 1 18 11 12 1 19 11 15 1 20 11 22 1 21 12 13 2 22 12 14 1 23 14 23 1 24 15 24 1 25 15 25 1