@MOLECULE 5-[(6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)imino]-2,4,6(1h,3h,5h)-pyrimidinetrione 22 22 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -0.5792 -1.7705 -0.0517 O.2 1 UNL1 -0.5413 2 O -2.2396 2.6520 0.0221 O.2 1 UNL1 -0.4730 3 O 2.6263 3.0643 0.0009 O.2 1 UNL1 -0.3861 4 O -5.0345 -0.9268 0.0189 O.2 1 UNL1 -0.4696 5 O 1.4869 -3.2766 0.0457 O.2 1 UNL1 -0.1638 6 O 4.5437 -1.0287 -0.0026 O.2 1 UNL1 -0.4700 7 N -0.0035 0.9601 -0.0130 N.3 1 UNL1 0.2593 8 N -3.6386 0.8802 0.0148 N.am 1 UNL1 -0.6251 9 N -2.7948 -1.3601 -0.0237 N.am 1 UNL1 -0.6208 10 N 3.5118 0.9931 0.0024 N.am 1 UNL1 -0.5949 11 N 2.2283 -0.9848 0.0009 N.am 1 UNL1 -0.6608 12 C -1.2363 0.5051 -0.0130 C.3 1 UNL1 -0.4128 13 C 1.0929 1.3225 -0.0104 C.3 1 UNL1 -0.0132 14 C -2.3501 1.4480 0.0081 C.2 1 UNL1 0.6391 15 C -1.4591 -0.9348 -0.0320 C.2 1 UNL1 0.6670 16 C 2.4247 1.8735 -0.0028 C.2 1 UNL1 0.6481 17 C -3.9050 -0.4962 0.0047 C.2 1 UNL1 0.7185 18 C 1.9221 -2.2063 0.0228 C.1 1 UNL1 0.6707 19 C 3.5028 -0.4163 -0.0003 C.2 1 UNL1 0.7604 20 H -4.4442 1.5147 0.0328 H 1 UNL1 0.3554 21 H -2.9828 -2.3679 -0.0337 H 1 UNL1 0.3548 22 H 4.4493 1.4275 0.0052 H 1 UNL1 0.3580 @BOND 1 1 15 2 2 21 9 1 3 15 9 am 4 15 12 1 5 9 17 am 6 12 7 1 7 12 14 1 8 7 13 1 9 13 16 1 10 16 3 2 11 16 10 am 12 6 19 2 13 19 11 1 14 19 10 am 15 11 18 2 16 10 22 1 17 17 8 am 18 17 4 2 19 14 8 am 20 14 2 2 21 8 20 1 22 18 5 2