@MOLECULE 4-nitro-2-[(3-phenylpropyl)amino]benzoate 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.2489 3.4008 -0.5289 O.2 1 UNL1 -0.3685 2 O -0.5470 4.4177 0.7150 O.2 1 UNL1 -0.2591 3 O -5.2150 -2.8580 0.1484 O.2 1 UNL1 -0.4000 4 O -3.1721 -3.5622 0.1761 O.2 1 UNL1 -0.3042 5 N -0.4743 0.8674 -0.1469 N.pl3 1 UNL1 -0.3490 6 N -4.0061 -2.6881 0.1250 N.pl3 1 UNL1 0.6594 7 C 1.8947 0.0811 -0.1495 C.1 1 UNL1 -0.4555 8 C 3.1299 -0.1859 -0.1525 C.3 1 UNL1 0.4664 9 C 0.6314 0.3531 -0.1419 C.1 1 UNL1 0.5129 10 C 4.4255 -0.4550 -0.1374 C.ar 1 UNL1 -0.3302 11 C -1.7772 0.4305 -0.1199 C.ar 1 UNL1 0.0605 12 C -2.8711 1.3116 -0.1782 C.ar 1 UNL1 0.3742 13 C -2.2795 -0.8527 -0.0201 C.ar 1 UNL1 -0.1420 14 C 5.0604 -0.5035 1.3195 C.ar 1 UNL1 0.2668 15 C 5.3222 -0.6937 -1.1779 C.ar 1 UNL1 0.0177 16 C -3.5697 -1.3108 0.0287 C.ar 1 UNL1 -0.1514 17 C -4.1597 1.0777 -0.1392 C.ar 1 UNL1 -0.3218 18 C -4.4043 -0.1964 -0.0430 C.ar 1 UNL1 0.3527 19 C 6.4132 -0.7817 1.1440 C.ar 1 UNL1 -0.3006 20 C 6.5591 -0.9368 -1.1082 C.ar 1 UNL1 -0.1300 21 C 7.1343 -0.9832 0.1251 C.ar 1 UNL1 0.1320 22 C -1.3876 3.9061 0.0959 C.1 1 UNL1 0.6697 @BOND 1 15 20 ar 2 15 10 ar 3 20 21 ar 4 1 22 2 5 12 17 ar 6 12 11 ar 7 8 7 1 8 8 10 1 9 7 9 3 10 5 9 1 11 5 11 1 12 17 18 ar 13 10 14 ar 14 11 13 ar 15 18 16 ar 16 13 16 ar 17 16 6 1 18 22 2 2 19 6 3 2 20 6 4 2 21 21 19 ar 22 19 14 ar