@MOLECULE 3-butylpyridine 23 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.8336 0.0607 0.9888 C.3 1 UNL1 -0.2850 2 C 1.8225 0.0028 -0.1876 C.3 1 UNL1 -0.2605 3 C 3.2699 0.0080 0.3188 C.3 1 UNL1 -0.2461 4 C 4.2522 -0.0482 -0.8511 C.3 1 UNL1 -0.4395 5 C -0.5665 0.0519 0.4719 C.ar 1 UNL1 -0.0711 6 C -1.2341 -1.1634 0.2444 C.ar 1 UNL1 0.0221 7 N -2.4862 -1.2242 -0.2398 N.ar 1 UNL1 -0.3603 8 C -3.1269 -0.0727 -0.5168 C.ar 1 UNL1 0.0336 9 C -2.5382 1.1826 -0.3195 C.ar 1 UNL1 -0.2274 10 C -1.2404 1.2391 0.1816 C.ar 1 UNL1 -0.1131 11 H 1.0095 -0.7943 1.6734 H 1 UNL1 0.1522 12 H 1.0262 0.9653 1.6008 H 1 UNL1 0.1519 13 H 1.6343 -0.9023 -0.7956 H 1 UNL1 0.1429 14 H 1.6525 0.8599 -0.8662 H 1 UNL1 0.1415 15 H 3.4571 0.9141 0.9256 H 1 UNL1 0.1337 16 H 3.4391 -0.8511 0.9953 H 1 UNL1 0.1348 17 H 4.1282 0.8101 -1.5210 H 1 UNL1 0.1436 18 H 5.2898 -0.0438 -0.4998 H 1 UNL1 0.1395 19 H 4.1116 -0.9556 -1.4496 H 1 UNL1 0.1446 20 H -0.7562 -2.1273 0.4524 H 1 UNL1 0.1718 21 H -4.1441 -0.1781 -0.9092 H 1 UNL1 0.1695 22 H -3.0862 2.0899 -0.5540 H 1 UNL1 0.1633 23 H -0.7542 2.2001 0.3433 H 1 UNL1 0.1581 @BOND 1 17 4 1 2 19 4 1 3 21 8 1 4 14 2 1 5 4 18 1 6 4 3 1 7 13 2 1 8 22 9 1 9 8 9 ar 10 8 7 ar 11 9 10 ar 12 7 6 ar 13 2 3 1 14 2 1 1 15 10 23 1 16 10 5 ar 17 6 20 1 18 6 5 ar 19 3 15 1 20 3 16 1 21 5 1 1 22 1 12 1 23 1 11 1