@MOLECULE 5-allyl-2'-deoxyuridine 35 36 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.6638 0.4883 1.0591 O.3 1 UNL1 -0.4360 2 O3* 4.4917 -0.3645 -0.2060 O.3 1 UNL1 -0.5368 3 O5* 1.2397 2.9880 -0.4708 O.3 1 UNL1 -0.5255 4 O 0.1175 -3.1966 0.0652 O.2 1 UNL1 -0.5198 5 O -3.9070 -1.2680 -0.7274 O.2 1 UNL1 -0.4704 6 N -0.0760 -0.9565 0.4921 N.ar 1 UNL1 -0.5110 7 N -1.9159 -2.2317 -0.3339 N.ar 1 UNL1 -0.6224 8 C1* 1.3572 -0.8759 0.8986 C.3 1 UNL1 0.3310 9 C3* 3.1621 -0.2595 -0.6318 C.3 1 UNL1 0.1272 10 C2* 2.3120 -1.4497 -0.1581 C.3 1 UNL1 -0.3975 11 C4* 2.4786 0.9754 -0.0082 C.3 1 UNL1 0.0056 12 C5* 1.6131 1.7421 -1.0113 C.3 1 UNL1 -0.0477 13 C -0.8984 0.1487 0.6159 C.ar 1 UNL1 0.1349 14 C -0.5841 -2.2063 0.0739 C.ar 1 UNL1 0.7030 15 C -2.1965 0.1182 0.2180 C.ar 1 UNL1 -0.2710 16 C -2.7841 -1.1016 -0.3146 C.ar 1 UNL1 0.6072 17 C -3.0692 1.3246 0.3191 C.3 1 UNL1 -0.2571 18 C -2.3693 2.5173 -0.2599 C.2 1 UNL1 -0.1024 19 C -1.9158 3.5285 0.4796 C.2 1 UNL1 -0.3522 20 H1* 1.4597 -1.3201 1.9197 H 1 UNL1 0.1596 21 H3* 3.2735 -0.2063 -1.7356 H 1 UNL1 0.1600 22 H2*1 1.7865 -1.9335 -1.0034 H 1 UNL1 0.1934 23 H2*2 2.9418 -2.2585 0.2595 H 1 UNL1 0.1884 24 H4* 3.1937 1.6560 0.5076 H 1 UNL1 0.1762 25 H5*1 0.7132 1.1757 -1.3106 H 1 UNL1 0.1328 26 H5*2 2.1886 2.0272 -1.9149 H 1 UNL1 0.1568 27 H -0.4460 1.0558 1.0489 H 1 UNL1 0.1927 28 H3* 4.5585 -0.4405 0.7687 H 1 UNL1 0.3213 29 H -2.2913 -3.1282 -0.6563 H 1 UNL1 0.3476 30 H5* 0.6450 2.8611 0.3009 H 1 UNL1 0.3172 31 H -4.0352 1.1571 -0.2188 H 1 UNL1 0.1851 32 H -3.3679 1.4939 1.3776 H 1 UNL1 0.1615 33 H -2.2485 2.4900 -1.3433 H 1 UNL1 0.1487 34 H -1.4098 4.3868 0.0615 H 1 UNL1 0.1526 35 H -2.0258 3.5935 1.5504 H 1 UNL1 0.1469 @BOND 1 26 12 1 2 21 9 1 3 33 18 1 4 25 12 1 5 12 3 1 6 12 11 1 7 22 10 1 8 5 16 2 9 29 7 1 10 9 2 1 11 9 10 1 12 9 11 1 13 3 30 1 14 7 16 ar 15 7 14 ar 16 16 15 ar 17 18 17 1 18 18 19 2 19 31 17 1 20 2 28 1 21 10 23 1 22 10 8 1 23 11 24 1 24 11 1 1 25 34 19 1 26 4 14 2 27 14 6 ar 28 15 17 1 29 15 13 ar 30 17 32 1 31 19 35 1 32 6 13 ar 33 6 8 1 34 13 27 1 35 8 1 1 36 8 20 1