@MOLECULE (3r)-3-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid 33 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5708 -1.8965 -0.4805 O.2 1 UNL1 -0.3835 2 O -5.0985 -0.4622 1.6795 O.3 1 UNL1 -0.5743 3 O 2.0311 -2.8412 -0.3262 O.2 1 UNL1 -0.3503 4 O -5.0890 -0.6335 -0.5398 O.2 1 UNL1 -0.5061 5 N 0.9151 1.7948 0.1246 N.ar 1 UNL1 -0.2353 6 N -0.3998 1.6306 -0.1863 N.ar 1 UNL1 -0.1536 7 N 3.1685 1.0136 0.2182 N.ar 1 UNL1 -0.5626 8 N 3.6746 -1.3343 0.0598 N.ar 1 UNL1 -0.5850 9 N 5.3626 0.2115 0.6276 N.pl3 1 UNL1 -0.6123 10 C -2.3518 0.2719 -0.6650 C.3 1 UNL1 -0.0409 11 C -0.8779 0.4395 -0.3901 C.ar 1 UNL1 -0.0254 12 C -3.0284 -0.1004 0.6673 C.3 1 UNL1 -0.3565 13 C 1.3611 -0.5585 -0.1513 C.ar 1 UNL1 -0.5075 14 C 1.8122 0.7384 0.0505 C.ar 1 UNL1 0.4232 15 C -0.0466 -0.8193 -0.3566 C.ar 1 UNL1 0.4588 16 C -2.9714 1.5209 -1.2896 C.3 1 UNL1 -0.4548 17 C 2.3016 -1.6865 -0.1533 C.ar 1 UNL1 0.6184 18 C 1.3374 3.2029 0.1059 C.3 1 UNL1 -0.2263 19 C -4.4723 -0.4226 0.4698 C.2 1 UNL1 0.6576 20 C 4.0489 -0.1151 0.2708 C.ar 1 UNL1 0.5641 21 H -2.4784 -0.5901 -1.3844 H 1 UNL1 0.1919 22 H -2.9126 0.7162 1.4128 H 1 UNL1 0.1855 23 H -2.5192 -0.9873 1.1207 H 1 UNL1 0.2032 24 H -2.9492 2.3781 -0.6072 H 1 UNL1 0.1524 25 H -2.4353 1.8178 -2.1992 H 1 UNL1 0.1526 26 H -4.0181 1.3422 -1.5745 H 1 UNL1 0.1683 27 H 3.4739 1.9118 0.5697 H 1 UNL1 0.3274 28 H 2.0085 3.4185 -0.7435 H 1 UNL1 0.1533 29 H 1.8240 3.4598 1.0637 H 1 UNL1 0.1545 30 H 0.4499 3.8664 0.0037 H 1 UNL1 0.1935 31 H 5.9907 -0.5858 0.6843 H 1 UNL1 0.3225 32 H 5.7817 1.0146 0.1950 H 1 UNL1 0.2923 33 H -6.0552 -0.6977 1.6239 H 1 UNL1 0.3551 @BOND 1 25 16 1 2 26 16 1 3 21 10 1 4 16 10 1 5 16 24 1 6 28 18 1 7 10 11 1 8 10 12 1 9 4 19 2 10 1 15 2 11 11 15 ar 12 11 6 ar 13 15 13 ar 14 3 17 2 15 6 5 ar 16 17 13 ar 17 17 8 ar 18 13 14 ar 19 30 18 1 20 14 5 ar 21 14 7 ar 22 8 20 ar 23 18 5 1 24 18 29 1 25 32 9 1 26 7 20 ar 27 7 27 1 28 20 9 1 29 19 12 1 30 19 2 1 31 9 31 1 32 12 23 1 33 12 22 1 34 33 2 1