@MOLECULE 4-(2-aminoethyl)-2-diazoniophenolate 21 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.9408 1.2193 -0.3870 O.2 1 UNL1 -0.4966 2 N 4.5307 -0.6566 -0.4566 N.3 1 UNL1 -0.6414 3 N -2.2809 -1.3824 -0.0056 N.pl3 1 UNL1 0.3622 4 N -3.0876 -2.1671 -0.0779 N.3 1 UNL1 -0.0665 5 C 2.3699 -0.0789 0.7223 C.3 1 UNL1 -0.3304 6 C 0.9346 0.2288 0.4480 C.3 1 UNL1 -0.0582 7 C 3.1145 -0.2972 -0.6184 C.3 1 UNL1 -0.0867 8 C 0.0075 -0.7579 0.3657 C.2 1 UNL1 -0.0906 9 C 0.5515 1.6085 0.2453 C.2 1 UNL1 -0.0569 10 C -1.3640 -0.4450 0.0749 C.2 1 UNL1 -0.3448 11 C -0.7227 1.9543 -0.0294 C.2 1 UNL1 -0.2795 12 C -1.7828 0.9534 -0.1392 C.2 1 UNL1 0.5077 13 H 2.8511 0.7367 1.2964 H 1 UNL1 0.1506 14 H 2.4716 -0.9773 1.3617 H 1 UNL1 0.1489 15 H 3.0555 0.6226 -1.2417 H 1 UNL1 0.1472 16 H 2.6159 -1.1007 -1.2055 H 1 UNL1 0.1468 17 H 0.2759 -1.8035 0.5137 H 1 UNL1 0.1543 18 H 1.3373 2.3635 0.3221 H 1 UNL1 0.1557 19 H -1.0368 2.9859 -0.1843 H 1 UNL1 0.1827 20 H 4.6528 -1.5226 0.0400 H 1 UNL1 0.2479 21 H 5.0593 0.0638 0.0047 H 1 UNL1 0.2477 @BOND 1 15 7 1 2 16 7 1 3 7 2 1 4 7 5 1 5 2 21 1 6 2 20 1 7 1 12 2 8 19 11 1 9 12 11 1 10 12 10 1 11 4 3 1 12 11 9 2 13 3 10 1 14 10 8 2 15 9 18 1 16 9 6 1 17 8 6 1 18 8 17 1 19 6 5 1 20 5 13 1 21 5 14 1