@MOLECULE 1-(2-deoxy-beta-d-arabino-hexopyranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.8711 0.6949 0.1263 O.3 1 UNL1 -0.4633 2 O 3.1711 -2.4681 -0.9833 O.3 1 UNL1 -0.5462 3 O 4.4423 0.0380 -0.2176 O.3 1 UNL1 -0.5405 4 O 1.8875 3.2713 0.7151 O.3 1 UNL1 -0.5294 5 O -1.5272 -0.8802 2.4977 O.2 1 UNL1 -0.5095 6 O -4.9365 0.2804 -0.2519 O.2 1 UNL1 -0.4627 7 N -1.0215 -0.5107 0.2943 N.ar 1 UNL1 -0.4678 8 N -3.2553 -0.3110 1.1139 N.ar 1 UNL1 -0.6232 9 C 2.6259 -1.5431 -0.0660 C.3 1 UNL1 0.1125 10 C 3.0658 -0.1132 -0.4496 C.3 1 UNL1 0.0295 11 C 1.1079 -1.6938 -0.2016 C.3 1 UNL1 -0.3763 12 C 0.4153 -0.5748 0.5851 C.3 1 UNL1 0.3090 13 C 2.2531 0.9232 0.3452 C.3 1 UNL1 0.0203 14 C 2.4627 2.3506 -0.1830 C.3 1 UNL1 -0.0169 15 C -1.4388 -0.0717 -0.9604 C.ar 1 UNL1 0.1210 16 C -1.9163 -0.5733 1.3909 C.ar 1 UNL1 0.7028 17 C -2.7436 0.1875 -1.2165 C.ar 1 UNL1 -0.2298 18 C -3.7502 0.0757 -0.1643 C.ar 1 UNL1 0.6042 19 C -3.2374 0.5968 -2.5535 C.3 1 UNL1 -0.4049 20 H 2.9865 -1.8243 0.9486 H 1 UNL1 0.1275 21 H 2.9859 0.0451 -1.5507 H 1 UNL1 0.1719 22 H 0.8284 -1.6828 -1.2746 H 1 UNL1 0.1807 23 H 0.7838 -2.6905 0.1617 H 1 UNL1 0.1851 24 H 0.5889 -0.6570 1.6923 H 1 UNL1 0.1707 25 H 2.4635 0.8730 1.4370 H 1 UNL1 0.1435 26 H 2.0172 2.4887 -1.1850 H 1 UNL1 0.1332 27 H 3.5353 2.6244 -0.2048 H 1 UNL1 0.1603 28 H 4.1165 -2.2555 -1.1525 H 1 UNL1 0.3321 29 H 4.6594 0.0145 0.7378 H 1 UNL1 0.3190 30 H -0.6504 0.0315 -1.7186 H 1 UNL1 0.1841 31 H -3.9188 -0.3839 1.8912 H 1 UNL1 0.3485 32 H 0.9397 3.0452 0.8506 H 1 UNL1 0.3252 33 H -3.8484 -0.1991 -3.0124 H 1 UNL1 0.1673 34 H -2.4312 0.8415 -3.2560 H 1 UNL1 0.1490 35 H -3.8928 1.4830 -2.4840 H 1 UNL1 0.1734 @BOND 1 34 19 1 2 33 19 1 3 19 35 1 4 19 17 1 5 30 15 1 6 21 10 1 7 22 11 1 8 17 15 ar 9 17 18 ar 10 26 14 1 11 28 2 1 12 2 9 1 13 15 7 ar 14 10 3 1 15 10 9 1 16 10 13 1 17 6 18 2 18 3 29 1 19 27 14 1 20 11 9 1 21 11 23 1 22 11 12 1 23 14 13 1 24 14 4 1 25 18 8 ar 26 9 20 1 27 1 13 1 28 1 12 1 29 7 12 1 30 7 16 ar 31 13 25 1 32 12 24 1 33 4 32 1 34 8 16 ar 35 8 31 1 36 16 5 2