@MOLECULE 7-(d-ribofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.4134 0.1541 -1.3368 O.3 1 UNL1 -0.4256 2 O2* 2.3195 2.2263 0.9465 O.3 1 UNL1 -0.5459 3 O3* 3.5913 0.0091 1.1375 O.3 1 UNL1 -0.5330 4 O5* 1.4978 -2.9157 -1.6018 O.3 1 UNL1 -0.5338 5 N -0.5831 1.1045 -0.6227 N.ar 1 UNL1 -0.3326 6 N -1.0721 -0.4316 1.2508 N.ar 1 UNL1 -0.4884 7 N -3.3896 -1.0850 1.3924 N.ar 1 UNL1 -0.4537 8 C1* 0.8710 1.2127 -0.5830 C.3 1 UNL1 0.2654 9 C2* 1.4497 1.1234 0.8512 C.3 1 UNL1 0.0401 10 C3* 2.2321 -0.2188 0.8822 C.3 1 UNL1 0.0709 11 C4* 2.0228 -0.8394 -0.5116 C.3 1 UNL1 0.0103 12 C5* 1.1423 -2.0916 -0.5141 C.3 1 UNL1 -0.0345 13 C -1.4037 0.2993 0.1559 C.ar 1 UNL1 0.2787 14 C -1.3780 1.6438 -1.6575 C.ar 1 UNL1 0.0043 15 C -2.7452 0.3751 -0.3710 C.ar 1 UNL1 -0.2081 16 C -2.6874 1.2333 -1.5162 C.ar 1 UNL1 -0.2101 17 C -3.7198 -0.3612 0.3141 C.ar 1 UNL1 0.1390 18 C -2.0942 -1.0950 1.8206 C.ar 1 UNL1 0.2396 19 H2* 2.8915 2.1363 1.7446 H 1 UNL1 0.3398 20 H3* 3.9839 0.6007 0.4520 H 1 UNL1 0.3276 21 H5* 1.3021 -2.4644 -2.4494 H 1 UNL1 0.3176 22 H1* 1.1901 2.1450 -1.1223 H 1 UNL1 0.1813 23 H2* 0.6889 1.2020 1.6554 H 1 UNL1 0.1702 24 H3* 1.9231 -0.8770 1.7222 H 1 UNL1 0.1734 25 H4* 2.9924 -1.0464 -1.0254 H 1 UNL1 0.1739 26 H5*1 1.3283 -2.7416 0.3629 H 1 UNL1 0.1571 27 H5*2 0.0676 -1.8448 -0.5709 H 1 UNL1 0.1373 28 H -0.9367 2.2852 -2.4013 H 1 UNL1 0.1789 29 H -3.5204 1.4959 -2.1362 H 1 UNL1 0.1782 30 H -4.7721 -0.3787 0.0054 H 1 UNL1 0.1826 31 H -1.8696 -1.7037 2.7115 H 1 UNL1 0.1996 @BOND 1 21 4 1 2 28 14 1 3 29 16 1 4 14 16 ar 5 14 5 ar 6 4 12 1 7 16 15 ar 8 1 8 1 9 1 11 1 10 22 8 1 11 25 11 1 12 5 8 1 13 5 13 ar 14 8 9 1 15 27 12 1 16 12 11 1 17 12 26 1 18 11 10 1 19 15 13 ar 20 15 17 ar 21 30 17 1 22 13 6 ar 23 17 7 ar 24 20 3 1 25 9 10 1 26 9 2 1 27 9 23 1 28 10 3 1 29 10 24 1 30 2 19 1 31 6 18 ar 32 7 18 ar 33 18 31 1