@MOLECULE n-(2-aminoethyl)-5-iodo-2-pyridinecarboxamide 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 I -3.3265 -0.2392 -0.0597 I 1 UNL1 0.0349 2 O 3.4018 1.8848 -0.0487 O.2 1 UNL1 -0.5267 3 N 3.6916 -0.2929 0.5223 N.am 1 UNL1 -0.5604 4 N 7.2227 -0.9977 -0.4396 N.3 1 UNL1 -0.6488 5 N 0.9641 -0.6661 0.3706 N.ar 1 UNL1 -0.3632 6 C 5.1502 -0.2007 0.5519 C.3 1 UNL1 -0.0681 7 C 5.7555 -1.0443 -0.6017 C.3 1 UNL1 -0.1285 8 C 2.9255 0.7917 0.1918 C.2 1 UNL1 0.5720 9 C 1.4334 0.5776 0.1441 C.ar 1 UNL1 0.0616 10 C 0.5986 1.6624 -0.1433 C.ar 1 UNL1 -0.1611 11 C -0.7784 1.4456 -0.2030 C.ar 1 UNL1 -0.1017 12 C -1.2591 0.1598 0.0249 C.ar 1 UNL1 -0.1461 13 C -0.3593 -0.8789 0.3129 C.ar 1 UNL1 0.0434 14 H 5.5288 -0.5715 1.5321 H 1 UNL1 0.1560 15 H 5.4764 0.8628 0.4651 H 1 UNL1 0.1729 16 H 5.4051 -0.6577 -1.5811 H 1 UNL1 0.1261 17 H 5.4093 -2.0965 -0.5243 H 1 UNL1 0.1385 18 H 3.2654 -1.1920 0.7069 H 1 UNL1 0.3320 19 H 1.0302 2.6528 -0.3173 H 1 UNL1 0.2007 20 H 7.6162 -0.1432 -0.7973 H 1 UNL1 0.2520 21 H 7.6793 -1.7788 -0.8771 H 1 UNL1 0.2513 22 H -1.4445 2.2818 -0.4268 H 1 UNL1 0.1766 23 H -0.6781 -1.9129 0.5039 H 1 UNL1 0.1866 @BOND 1 16 7 1 2 21 4 1 3 20 4 1 4 7 17 1 5 7 4 1 6 7 6 1 7 22 11 1 8 19 10 1 9 11 10 ar 10 11 12 ar 11 10 9 ar 12 1 12 1 13 2 8 2 14 12 13 ar 15 9 8 1 16 9 5 ar 17 8 3 am 18 13 5 ar 19 13 23 1 20 15 6 1 21 3 6 1 22 3 18 1 23 6 14 1