@MOLECULE (1s)-1-(6-amino-2-oxo-1,2-dihydro-5-pyrimidinyl)-1,4-anhydro-d-ribitol 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.2803 0.6879 0.7804 O.3 1 UNL1 -0.4209 2 O 1.0681 -2.4848 -0.8059 O.3 1 UNL1 -0.5584 3 O 3.4062 -1.6711 0.0699 O.3 1 UNL1 -0.5424 4 O 2.9405 2.9223 0.4596 O.3 1 UNL1 -0.5277 5 O -4.6625 1.0486 -0.5005 O.2 1 UNL1 -0.4317 6 N -3.2384 -0.5403 0.2331 N.ar 1 UNL1 -0.6004 7 N -1.7764 -2.2849 0.8724 N.pl3 1 UNL1 -0.6332 8 N -2.4174 1.6494 -0.4271 N.ar 1 UNL1 -0.5119 9 C 1.1701 -1.0812 -0.7898 C.3 1 UNL1 0.0391 10 C 2.6628 -0.7027 -0.6298 C.3 1 UNL1 0.0841 11 C 0.5215 -0.4818 0.4881 C.3 1 UNL1 0.1140 12 C 2.6167 0.5403 0.2856 C.3 1 UNL1 0.0221 13 C -0.8899 -0.0827 0.2773 C.ar 1 UNL1 -0.4419 14 C 2.9242 1.8473 -0.4527 C.3 1 UNL1 -0.0350 15 C -1.9557 -0.9614 0.4904 C.ar 1 UNL1 0.4822 16 C -1.1969 1.2319 -0.1680 C.ar 1 UNL1 0.2478 17 C -3.5065 0.8120 -0.2743 C.ar 1 UNL1 0.6925 18 H 0.7292 -0.6805 -1.7240 H 1 UNL1 0.1439 19 H 3.1783 -0.5414 -1.5963 H 1 UNL1 0.1416 20 H 0.6624 -1.1668 1.3572 H 1 UNL1 0.1362 21 H 3.2610 0.4088 1.1855 H 1 UNL1 0.1764 22 H 2.1852 2.0616 -1.2456 H 1 UNL1 0.1260 23 H 3.9466 1.8512 -0.8761 H 1 UNL1 0.1505 24 H 0.1210 -2.7424 -0.7925 H 1 UNL1 0.3358 25 H 3.0173 -2.5650 -0.0669 H 1 UNL1 0.3426 26 H -0.3839 1.9665 -0.3135 H 1 UNL1 0.1930 27 H 2.1024 2.9314 0.9737 H 1 UNL1 0.3242 28 H -4.0352 -1.1615 0.3474 H 1 UNL1 0.3284 29 H -2.5661 -2.8356 1.1576 H 1 UNL1 0.3074 30 H -0.9097 -2.5346 1.3233 H 1 UNL1 0.3158 @BOND 1 18 9 1 2 19 10 1 3 22 14 1 4 23 14 1 5 2 24 1 6 2 9 1 7 9 10 1 8 9 11 1 9 10 3 1 10 10 12 1 11 5 17 2 12 14 12 1 13 14 4 1 14 8 17 ar 15 8 16 ar 16 26 16 1 17 17 6 ar 18 16 13 ar 19 25 3 1 20 6 28 1 21 6 15 ar 22 13 11 1 23 13 15 ar 24 12 1 1 25 12 21 1 26 4 27 1 27 11 1 1 28 11 20 1 29 15 7 1 30 7 29 1 31 7 30 1