@MOLECULE (2e)-1-(beta-d-arabinofuranosyl)-2-imino-1,2-dihydro-4-pyrimidinamine 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -1.3850 -0.4398 1.1368 O.3 1 UNL1 -0.4485 2 O2* -0.6557 1.1107 -1.6461 O.3 1 UNL1 -0.5361 3 O3* -3.6777 1.5300 0.0042 O.3 1 UNL1 -0.5263 4 O5* -2.1680 -2.9733 0.1826 O.3 1 UNL1 -0.5335 5 N 0.7637 0.1908 0.4397 N.pl3 1 UNL1 -0.4383 6 N 3.0978 0.7594 0.0929 N.2 1 UNL1 -0.6474 7 N 1.4445 2.4044 0.6187 N.pl3 1 UNL1 -0.6941 8 N 4.6364 -0.8652 -0.4537 N.pl3 1 UNL1 -0.5879 9 C2* -1.2831 1.3891 -0.4224 C.3 1 UNL1 0.0468 10 C3* -2.6716 0.7139 -0.5234 C.3 1 UNL1 0.0861 11 C1* -0.5900 0.6678 0.7749 C.3 1 UNL1 0.2532 12 C4* -2.5252 -0.5858 0.2849 C.3 1 UNL1 0.0070 13 C5* -2.3073 -1.8104 -0.6055 C.3 1 UNL1 -0.0442 14 C 1.0357 -1.1197 0.1712 C.3 1 UNL1 0.2011 15 C 1.8164 1.1835 0.3932 C.cat 1 UNL1 0.5549 16 C 2.3072 -1.5336 -0.1318 C.2 1 UNL1 -0.4908 17 C 3.3431 -0.5340 -0.1576 C.2 1 UNL1 0.5068 18 H2* -1.3346 2.4881 -0.2715 H 1 UNL1 0.1688 19 H3* -2.9912 0.5689 -1.5801 H 1 UNL1 0.1826 20 H1* -0.5275 1.3025 1.7003 H 1 UNL1 0.1817 21 H4* -3.3601 -0.7475 1.0043 H 1 UNL1 0.1693 22 H5*1 -1.4148 -1.7076 -1.2514 H 1 UNL1 0.1394 23 H5*2 -3.1908 -2.0281 -1.2362 H 1 UNL1 0.1536 24 H2* 0.2637 1.4682 -1.6459 H 1 UNL1 0.3401 25 H3* -3.5111 1.7510 0.9459 H 1 UNL1 0.3193 26 H 0.1961 -1.8311 0.2168 H 1 UNL1 0.1845 27 H5* -1.6025 -2.7861 0.9634 H 1 UNL1 0.3205 28 H 2.5302 -2.5690 -0.3435 H 1 UNL1 0.1899 29 H 2.1403 3.1351 0.6107 H 1 UNL1 0.3062 30 H 4.8978 -1.8049 -0.6496 H 1 UNL1 0.3125 31 H 5.3478 -0.1594 -0.4599 H 1 UNL1 0.3229 @BOND 1 2 24 1 2 2 9 1 3 19 10 1 4 22 13 1 5 23 13 1 6 30 8 1 7 13 4 1 8 13 12 1 9 10 9 1 10 10 3 1 11 10 12 1 12 31 8 1 13 8 17 1 14 9 18 1 15 9 11 1 16 28 16 1 17 17 16 2 18 17 6 1 19 16 14 1 20 3 25 1 21 6 15 2 22 14 26 1 23 14 5 1 24 4 27 1 25 12 21 1 26 12 1 1 27 15 5 1 28 15 7 1 29 5 11 1 30 29 7 1 31 11 1 1 32 11 20 1