@MOLECULE amino{3-[(2r,3r)-2-(methoxycarbonyl)-3-{[4-(1-oxido-4-pyridinyl)benzoyl]amino}butyl]phenyl}methaniminium 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.4503 4.1340 -2.5076 O.2 1 UNL1 -0.5397 2 O 2.1748 6.0795 -0.4625 O.2 1 UNL1 -0.1313 3 O -0.3676 2.4711 2.1900 O.2 1 UNL1 -0.2525 4 O -9.1671 -3.3046 -0.6842 O.2 1 UNL1 -0.3571 5 N 0.2926 2.4981 0.0442 N.ar 1 UNL1 -0.3328 6 N 6.4968 -5.3631 -0.3195 N.pl3 1 UNL1 -0.3135 7 N 7.1875 -7.7168 0.0709 N.1 1 UNL1 -0.1376 8 N -8.1081 -2.7418 -0.4991 N.ar 1 UNL1 0.5072 9 C 2.4439 3.7087 0.2788 C.2 1 UNL1 -0.2860 10 C 1.2067 3.1976 0.8343 C.ar 1 UNL1 -0.3188 11 C 3.4230 2.7859 0.2112 C.1 1 UNL1 0.4819 12 C 0.7512 3.1721 2.1995 C.ar 1 UNL1 0.1443 13 C 4.1923 1.7979 0.1953 C.1 1 UNL1 -0.4674 14 C 2.3619 4.9916 -0.1574 C.1 1 UNL1 0.6343 15 C 6.3302 -4.2088 -0.0488 C.1 1 UNL1 0.5833 16 C 4.8228 0.6586 0.1691 C.1 1 UNL1 0.5463 17 C -0.6463 2.0531 0.8595 C.ar 1 UNL1 0.0817 18 C 6.0444 -2.9457 0.0308 C.1 1 UNL1 -0.5428 19 C -1.7988 1.2601 0.6452 C.ar 1 UNL1 0.1421 20 C 5.3272 -0.4931 0.1381 C.1 1 UNL1 -0.4967 21 C 5.7204 -1.7281 0.0885 C.3 1 UNL1 0.5877 22 C -2.6809 0.6679 1.5606 C.ar 1 UNL1 -0.0519 23 C -2.4039 0.8333 -0.5454 C.ar 1 UNL1 -0.0623 24 C 6.8805 -6.6073 -0.0799 C.1 1 UNL1 0.2871 25 C -4.3167 -0.4418 0.1814 C.ar 1 UNL1 0.0666 26 C 1.8156 3.5994 -3.2973 C.2 1 UNL1 0.5428 27 C -3.7216 -0.0360 1.3812 C.ar 1 UNL1 -0.0575 28 C -3.4420 0.1330 -0.7490 C.ar 1 UNL1 -0.0615 29 C -5.4854 -1.2156 -0.0337 C.ar 1 UNL1 0.0052 30 C -6.1424 -1.5689 -1.2232 C.ar 1 UNL1 0.0983 31 C -6.3525 -1.8465 0.8720 C.ar 1 UNL1 0.1035 32 C -7.2133 -2.2252 -1.4040 C.ar 1 UNL1 -0.2017 33 C -7.4203 -2.4996 0.6640 C.ar 1 UNL1 -0.2013 @BOND 1 26 1 2 2 32 30 ar 3 32 8 ar 4 30 29 ar 5 28 23 ar 6 28 25 ar 7 4 8 2 8 23 19 ar 9 8 33 ar 10 2 14 2 11 6 24 1 12 6 15 1 13 14 9 2 14 24 7 3 15 15 18 3 16 29 25 1 17 29 31 ar 18 18 21 1 19 5 10 ar 20 5 17 ar 21 21 20 1 22 20 16 3 23 16 13 1 24 25 27 ar 25 13 11 3 26 11 9 1 27 9 10 1 28 19 17 1 29 19 22 ar 30 33 31 ar 31 10 12 ar 32 17 3 ar 33 27 22 ar 34 3 12 ar