@MOLECULE 3-oxido-6-(1-piperidyl)pyrimidin-1-ium-2,4-diamine 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -3.9845 0.0994 0.1128 O.3 1 UNL1 -0.3798 2 N 1.5462 0.0183 0.1985 N.3 1 UNL1 -0.4612 3 N -0.5633 -1.1103 0.0229 N.3 1 UNL1 -0.5815 4 N -2.6377 0.0351 0.5561 N.4 1 UNL1 -0.3746 5 N -2.2113 1.8278 -1.0719 N.3 1 UNL1 -0.7005 6 N -2.6221 -2.3333 0.0173 N.3 1 UNL1 -0.6423 7 C 0.1203 0.1873 -0.2123 C.3 1 UNL1 0.2167 8 C -0.5387 1.2951 0.6563 C.3 1 UNL1 -0.3602 9 C 2.3325 1.2418 -0.1141 C.3 1 UNL1 -0.1036 10 C 2.1651 -1.1554 -0.4772 C.3 1 UNL1 -0.0992 11 C -2.0478 1.3781 0.3366 C.3 1 UNL1 0.1895 12 C 3.5864 -1.3712 0.0721 C.3 1 UNL1 -0.2771 13 C 3.7609 1.0877 0.4420 C.3 1 UNL1 -0.2731 14 C -1.9912 -1.0514 -0.3061 C.3 1 UNL1 0.3657 15 C 4.4483 -0.1306 -0.1823 C.3 1 UNL1 -0.2647 16 H 0.0111 0.4392 -1.3042 H 1 UNL1 0.1478 17 H -0.3838 1.0682 1.7283 H 1 UNL1 0.1702 18 H -0.0693 2.2760 0.4733 H 1 UNL1 0.1545 19 H 1.5493 -2.0594 -0.2686 H 1 UNL1 0.1596 20 H 2.1896 -1.0388 -1.5809 H 1 UNL1 0.1157 21 H 2.3682 1.4539 -1.2041 H 1 UNL1 0.1153 22 H 1.8509 2.1143 0.3760 H 1 UNL1 0.1302 23 H -2.5535 2.0797 1.0571 H 1 UNL1 0.1239 24 H -0.3792 -1.4670 0.9609 H 1 UNL1 0.2823 25 H 3.7138 0.9676 1.5424 H 1 UNL1 0.1505 26 H 4.3394 2.0071 0.2496 H 1 UNL1 0.1283 27 H 4.0365 -2.2644 -0.3933 H 1 UNL1 0.1303 28 H 3.5330 -1.5762 1.1592 H 1 UNL1 0.1493 29 H -2.1193 -0.8388 -1.4061 H 1 UNL1 0.1667 30 H 4.5945 0.0217 -1.2670 H 1 UNL1 0.1328 31 H 5.4562 -0.2666 0.2479 H 1 UNL1 0.1305 32 H -3.1322 1.6182 -1.4265 H 1 UNL1 0.2696 33 H -2.0255 2.8099 -1.1824 H 1 UNL1 0.2594 34 H -3.6043 -2.3321 -0.2145 H 1 UNL1 0.2678 35 H -2.5065 -2.6055 0.9801 H 1 UNL1 0.2571 36 H -4.4954 0.0749 0.9698 H 1 UNL1 0.3041 @BOND 1 20 10 1 2 32 5 1 3 29 14 1 4 16 7 1 5 30 15 1 6 21 9 1 7 33 5 1 8 5 11 1 9 10 19 1 10 10 12 1 11 10 2 1 12 27 12 1 13 14 6 1 14 14 3 1 15 14 4 1 16 34 6 1 17 7 3 1 18 7 2 1 19 7 8 1 20 15 12 1 21 15 31 1 22 15 13 1 23 9 2 1 24 9 22 1 25 9 13 1 26 6 35 1 27 3 24 1 28 12 28 1 29 1 4 1 30 1 36 1 31 26 13 1 32 11 4 1 33 11 8 1 34 11 23 1 35 13 25 1 36 18 8 1 37 8 17 1