@MOLECULE [(3-{[6-{[1-(8-carboxy-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-4-ium-1-yl)-2-methylbutyl]carbamoyl}tetrahydro-1(2h)-pyridazinyl]carbonyl}heptanoyl)amino]oxidanide 38 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.1700 -0.4224 1.6812 O.2 1 UNL1 -0.4718 2 O 3.5187 -2.1674 -0.3783 O.2 1 UNL1 -0.3996 3 O 1.9623 -3.7255 0.4089 O.2 1 UNL1 -0.2899 4 O -3.8140 -2.0327 1.1976 O.2 1 UNL1 -0.2906 5 O -3.5297 0.1471 3.7281 O.2 1 UNL1 -0.1192 6 O -4.5272 2.6918 0.2050 O.2 1 UNL1 -0.0919 7 N 4.0045 0.5447 0.5468 N.ar 1 UNL1 -0.4096 8 N 5.0598 1.4816 -0.0461 N.ar 1 UNL1 -0.3739 9 N 0.9068 -0.2934 0.6966 N.am 1 UNL1 -0.3626 10 N -2.1909 -1.9686 -0.4493 N.am 1 UNL1 -0.0527 11 N -2.6616 -2.7858 -1.3800 N.2 1 UNL1 -0.3044 12 N -4.4401 2.1788 1.2646 N.2 1 UNL1 0.1067 13 C 1.3753 0.8068 0.2808 C.2 1 UNL1 0.1870 14 C 2.8310 1.1024 0.1622 C.2 1 UNL1 0.3030 15 C 4.2109 -0.6668 1.2957 C.ar 1 UNL1 0.5034 16 C 0.7436 2.0733 -0.2945 C.3 1 UNL1 0.0413 17 C 5.6625 -0.7384 1.2812 C.ar 1 UNL1 -0.2239 18 C 6.4157 1.2555 0.0603 C.ar 1 UNL1 0.4155 19 C 6.5189 0.0198 0.8226 C.ar 1 UNL1 -0.1678 20 C -0.8446 -1.6328 -0.3097 C.3 1 UNL1 -0.0371 21 C 3.0127 2.2841 -0.6008 C.2 1 UNL1 -0.5557 22 C 4.4320 2.5302 -0.7316 C.3 1 UNL1 0.4040 23 C -0.1173 -2.2773 -1.2757 C.2 1 UNL1 -0.1653 24 C -0.4686 2.4522 -0.0111 C.1 1 UNL1 -0.5917 25 C -0.4287 -0.7073 0.7673 C.2 1 UNL1 0.6093 26 C 1.7951 2.8514 -1.0773 C.3 1 UNL1 0.2688 27 C -0.6042 -3.0561 -2.1426 C.2 1 UNL1 -0.0342 28 C 2.7345 -2.9435 0.0245 C.1 1 UNL1 0.7058 29 C -1.9525 -3.4451 -2.3435 C.2 1 UNL1 0.2172 30 C -3.3707 0.1429 0.2239 C.3 1 UNL1 0.2006 31 C -3.2244 -1.3412 0.4321 C.2 1 UNL1 0.5393 32 C -1.6517 2.8942 0.2827 C.1 1 UNL1 0.4331 33 C -3.0938 0.6414 -0.9618 C.1 1 UNL1 -0.4366 34 C -3.8108 0.8892 1.3606 C.2 1 UNL1 -0.3849 35 C -2.7921 1.1114 -2.1097 C.1 1 UNL1 0.4673 36 C -2.4195 1.5696 -3.2445 C.1 1 UNL1 -0.7282 37 C -3.6517 0.4670 2.6355 C.1 1 UNL1 0.6077 38 C -2.0223 2.0384 -4.3790 C.1 1 UNL1 0.4818 @BOND 1 38 36 3 2 36 35 1 3 29 27 1 4 29 11 2 5 27 23 2 6 35 33 3 7 11 10 1 8 23 20 1 9 26 21 1 10 26 16 1 11 33 30 1 12 22 21 1 13 22 8 1 14 21 14 2 15 10 20 1 16 10 31 am 17 2 28 2 18 20 25 1 19 16 24 1 20 16 13 1 21 8 18 ar 22 8 7 ar 23 24 32 3 24 28 3 2 25 18 19 ar 26 14 13 1 27 14 7 1 28 6 12 2 29 30 31 1 30 30 34 1 31 13 9 2 32 31 4 2 33 7 15 ar 34 9 25 1 35 25 1 2 36 19 17 ar 37 12 34 1 38 17 15 ar 39 34 37 2 40 37 5 2