@MOLECULE diamino-n-[(4s)-5-[(2r,4r)-2-carboxy-4-methyl-1-piperidinyl]-4-({[(3r)-3-methyl-1,2,3,4-tetrahydro-8-quinolinyl]sulfonyl}amino)-5-oxopentyl]methaniminium 35 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 0.6896 2.1397 -2.0130 S.O2 1 UNL1 2.3944 2 O -0.6361 -2.6571 -2.1663 O.2 1 UNL1 -0.3498 3 O -3.4752 -4.7882 -0.8655 O.2 1 UNL1 -0.2920 4 O -2.2719 -2.9611 -0.0447 O.2 1 UNL1 -0.3853 5 O -0.6424 2.6760 -2.0284 O.2 1 UNL1 -0.8769 6 O 1.6413 2.4435 -3.0427 O.2 1 UNL1 -0.8547 7 N 0.6860 -2.1702 -0.3479 N.am 1 UNL1 -0.3652 8 N 0.5121 0.3798 -1.9952 N.2 1 UNL1 -0.6523 9 N 3.4053 1.0296 -0.9193 N.1 1 UNL1 -0.6564 10 N -4.9441 1.2308 0.4726 N.1 1 UNL1 -0.2146 11 N -7.0464 0.8528 2.8639 N.1 2 UNL2 -0.0828 12 N -7.8965 2.6067 1.3699 N.pl3 2 UNL2 -0.0725 13 C 2.5469 -2.6756 1.9442 C.2 1 UNL1 -0.0906 14 C 1.9091 -4.0887 0.5890 C.2 1 UNL1 -0.2700 15 C 1.1671 -3.4124 -0.1505 C.2 1 UNL1 0.1001 16 C 1.9530 -1.6757 1.5205 C.2 1 UNL1 -0.2997 17 C 1.0644 -1.1407 0.5573 C.3 1 UNL1 0.2966 18 C -0.4365 -0.3115 -1.5173 C.2 1 UNL1 0.2971 19 C -0.1969 -1.8200 -1.4441 C.2 1 UNL1 0.5817 20 C 2.7748 -4.1286 1.7260 C.3 1 UNL1 0.3514 21 C -1.6867 0.0913 -0.9861 C.1 1 UNL1 -0.0441 22 C -2.8738 -3.8756 -0.4619 C.1 1 UNL1 0.6776 23 C 5.1470 0.5967 2.3668 C.1 1 UNL1 -0.7861 24 C 4.1556 1.1878 1.8475 C.1 1 UNL1 0.6187 25 C 2.6264 1.7190 -0.0236 C.ar 1 UNL1 0.4946 26 C 3.0874 1.8083 1.3534 C.ar 1 UNL1 -0.5335 27 C 1.4134 2.2970 -0.4488 C.ar 1 UNL1 -0.5244 28 C 3.9990 0.5033 -1.8198 C.1 1 UNL1 0.4891 29 C -2.7422 0.4624 -0.5128 C.1 1 UNL1 0.0340 30 C 6.1466 -0.0021 2.9466 C.3 1 UNL1 0.6026 31 C -3.9339 0.8842 0.0219 C.1 1 UNL1 0.1704 32 C 2.3766 2.5776 2.4928 C.ar 1 UNL1 0.2597 33 C 0.8483 2.9611 0.6288 C.ar 1 UNL1 0.0642 34 C 1.2761 3.0603 1.7963 C.ar 1 UNL1 -0.2366 35 C -7.4671 1.7305 2.1157 C.1 2 UNL2 0.1551 @BOND 1 6 1 2 2 2 19 2 3 5 1 2 4 1 8 1 5 1 27 1 6 8 18 2 7 28 9 3 8 18 19 1 9 18 21 1 10 19 7 am 11 21 29 3 12 9 25 1 13 3 22 2 14 29 31 1 15 22 4 2 16 27 25 ar 17 27 33 ar 18 7 15 1 19 7 17 1 20 15 14 2 21 25 26 ar 22 31 10 3 23 17 16 1 24 14 20 1 25 33 34 ar 26 26 24 1 27 26 32 ar 28 12 35 1 29 16 13 2 30 20 13 1 31 34 32 ar 32 24 23 3 33 35 11 3 34 23 30 1