@MOLECULE 1-(beta-d-ribofuranosyl)-1,3,5-triazinane-2,4,6-trione 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.7267 -1.1348 0.8396 C.ar 1 UNL1 0.7185 2 C -0.9346 0.2967 -1.0192 C.ar 1 UNL1 0.7334 3 C -3.3409 0.2960 -0.3974 C.ar 1 UNL1 0.7136 4 O -0.0624 0.7168 -1.7465 O.2 1 UNL1 -0.5038 5 N -2.2600 0.7250 -1.1871 N.ar 1 UNL1 -0.6289 6 O -4.4618 0.7063 -0.5662 O.2 1 UNL1 -0.4441 7 N -3.0199 -0.6389 0.5969 N.ar 1 UNL1 -0.6296 8 O -1.5288 -1.9459 1.7086 O.2 1 UNL1 -0.4376 9 N -0.7011 -0.6485 -0.0060 N.ar 1 UNL1 -0.5866 10 C1* 0.6906 -0.9608 0.4083 C.3 1 UNL1 0.2905 11 O4* 1.1224 0.0973 1.2204 O.3 1 UNL1 -0.4196 12 C4* 2.1665 0.8648 0.6165 C.3 1 UNL1 0.0105 13 C5* 1.6299 2.2792 0.3645 C.3 1 UNL1 -0.0466 14 O5* 0.9997 2.7657 1.5292 O.3 1 UNL1 -0.5209 15 C3* 2.6132 0.1349 -0.6636 C.3 1 UNL1 0.0662 16 O3* 3.9507 -0.2665 -0.5824 O.3 1 UNL1 -0.5320 17 C2* 1.6725 -1.0992 -0.7788 C.3 1 UNL1 0.0402 18 O2* 2.3770 -2.2874 -0.5001 O.3 1 UNL1 -0.5431 19 H -2.4519 1.4002 -1.9365 H 1 UNL1 0.3632 20 H -3.7814 -0.9871 1.1928 H 1 UNL1 0.3652 21 H1* 0.6810 -1.8705 1.0747 H 1 UNL1 0.2071 22 H4* 2.9599 0.8754 1.3995 H 1 UNL1 0.1675 23 H5*1 2.4513 2.9993 0.1863 H 1 UNL1 0.1531 24 H5*2 0.9151 2.3263 -0.4760 H 1 UNL1 0.1386 25 H5* 0.3187 2.1171 1.8149 H 1 UNL1 0.3202 26 H3* 2.5936 0.7724 -1.5742 H 1 UNL1 0.1733 27 H3* 4.0951 -0.8697 0.1856 H 1 UNL1 0.3303 28 H2* 1.1908 -1.1946 -1.7716 H 1 UNL1 0.1632 29 H2* 3.0824 -2.4278 -1.1741 H 1 UNL1 0.3381 @BOND 1 19 5 1 2 28 17 1 3 4 2 2 4 26 15 1 5 5 2 ar 6 5 3 ar 7 29 18 1 8 2 9 ar 9 17 15 1 10 17 18 1 11 17 10 1 12 15 16 1 13 15 12 1 14 16 27 1 15 6 3 2 16 24 13 1 17 3 7 ar 18 9 10 1 19 9 1 ar 20 23 13 1 21 13 12 1 22 13 14 1 23 10 21 1 24 10 11 1 25 7 1 ar 26 7 20 1 27 12 11 1 28 12 22 1 29 1 8 2 30 14 25 1