@MOLECULE (1s)-1,4-anhydro-1-(2-oxo-4-thioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-d-ribitol 29 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.9573 -2.4020 0.4695 S.2 1 UNL1 -0.3779 2 O 1.4206 0.6048 0.9519 O.3 1 UNL1 -0.4536 3 O 1.6847 -2.5276 0.0516 O.3 1 UNL1 -0.5621 4 O 3.6085 -1.2622 -1.0765 O.3 1 UNL1 -0.5243 5 O 3.1153 2.8414 0.7649 O.3 1 UNL1 -0.5350 6 O -4.3349 1.7226 -0.6546 O.2 1 UNL1 -0.4654 7 N -3.1314 -0.1602 -0.1419 N.ar 1 UNL1 -0.5116 8 N -2.1013 1.9951 -0.2709 N.ar 1 UNL1 -0.5042 9 C 1.1996 -1.3183 -0.4802 C.3 1 UNL1 0.0622 10 C 2.4498 -0.5026 -0.9162 C.3 1 UNL1 0.0894 11 C 0.5564 -0.4892 0.6564 C.3 1 UNL1 0.1105 12 C 2.6377 0.5311 0.2132 C.3 1 UNL1 0.0148 13 C -0.7772 0.0850 0.2798 C.ar 1 UNL1 -0.2877 14 C 2.9038 1.9463 -0.3053 C.3 1 UNL1 -0.0330 15 C -1.9307 -0.7760 0.1998 C.ar 1 UNL1 0.3227 16 C -0.8892 1.4275 0.0602 C.ar 1 UNL1 0.1590 17 C -3.2731 1.2163 -0.3743 C.ar 1 UNL1 0.6658 18 H 0.5168 -1.5273 -1.3251 H 1 UNL1 0.1435 19 H 2.3091 -0.0372 -1.9156 H 1 UNL1 0.1478 20 H 0.5113 -1.0708 1.6115 H 1 UNL1 0.1797 21 H 3.4154 0.2088 0.9421 H 1 UNL1 0.1664 22 H 2.0743 2.3319 -0.9234 H 1 UNL1 0.1156 23 H 3.8519 1.9970 -0.8777 H 1 UNL1 0.1574 24 H 0.9578 -3.1830 0.1454 H 1 UNL1 0.3493 25 H 3.6001 -2.0489 -0.4778 H 1 UNL1 0.3459 26 H -0.0306 2.1171 0.1362 H 1 UNL1 0.1988 27 H 2.4534 2.6860 1.4726 H 1 UNL1 0.3224 28 H -3.9914 -0.7255 -0.2146 H 1 UNL1 0.3593 29 H -2.1922 2.9989 -0.4188 H 1 UNL1 0.3443 @BOND 1 19 10 1 2 18 9 1 3 4 10 1 4 4 25 1 5 22 14 1 6 10 9 1 7 10 12 1 8 23 14 1 9 6 17 2 10 9 3 1 11 9 11 1 12 29 8 1 13 17 8 ar 14 17 7 ar 15 14 12 1 16 14 5 1 17 8 16 ar 18 28 7 1 19 7 15 ar 20 3 24 1 21 16 26 1 22 16 13 ar 23 15 13 ar 24 15 1 2 25 12 21 1 26 12 2 1 27 13 11 1 28 11 2 1 29 11 20 1 30 5 27 1