@MOLECULE l-thymidine 31 32 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.5079 -0.7110 -0.5208 O.3 1 T1 -0.4287 2 O3* 1.9295 1.9918 1.3409 O.3 1 T1 -0.5637 3 O5* 3.7718 -0.2973 -2.2509 O.3 1 T1 -0.5279 4 O2 -1.3497 -2.7066 0.5172 O.2 1 T1 -0.5177 5 O4 -4.2977 0.4677 -0.8004 O.2 1 T1 -0.4713 6 N1 -0.5932 -0.5453 0.4500 N.ar 1 T1 -0.4887 7 N3 -2.8451 -1.1070 -0.1276 N.ar 1 T1 -0.6242 8 C3* 2.4766 0.7009 1.1624 C.3 1 T1 0.1189 9 C1* 0.7932 -0.9984 0.6630 C.3 1 T1 0.3154 10 C2* 1.4817 -0.2616 1.8242 C.3 1 T1 -0.3702 11 C4* 2.4587 0.3332 -0.3371 C.3 1 T1 0.0005 12 C5* 3.7906 -0.2354 -0.8434 C.3 1 T1 -0.0360 13 C6 -0.8551 0.7887 0.1549 C.ar 1 T1 0.1154 14 C2 -1.5844 -1.5400 0.2805 C.ar 1 T1 0.7051 15 C5 -2.0835 1.2014 -0.2427 C.ar 1 T1 -0.2378 16 C4 -3.1706 0.2457 -0.4270 C.ar 1 T1 0.6079 17 C5M -2.4047 2.6251 -0.5073 C.3 1 T1 -0.4027 18 H3* 3.4842 0.6711 1.6195 H 1 T1 0.1282 19 H1* 0.8132 -2.1184 0.7492 H 1 T1 0.1876 20 H2*1 1.9837 -0.9709 2.5031 H 1 T1 0.1687 21 H2*2 0.7610 0.2968 2.4587 H 1 T1 0.1977 22 H4* 2.1102 1.1768 -0.9743 H 1 T1 0.1644 23 H5*1 3.9874 -1.2448 -0.4371 H 1 T1 0.1351 24 H5*2 4.6442 0.4319 -0.6263 H 1 T1 0.1427 25 H6 -0.0124 1.4850 0.2883 H 1 T1 0.1961 26 H3* 2.5642 2.6892 1.0849 H 1 T1 0.3251 27 H3 -3.5721 -1.8194 -0.2382 H 1 T1 0.3470 28 H5* 2.9973 -0.8282 -2.5476 H 1 T1 0.3280 29 H5M1 -2.9947 2.7374 -1.4339 H 1 T1 0.1735 30 H5M2 -1.5118 3.2545 -0.6094 H 1 T1 0.1476 31 H5M3 -3.0193 3.0505 0.3036 H 1 T1 0.1640 @BOND 1 28 3 1 2 3 12 1 3 29 17 1 4 22 11 1 5 12 24 1 6 12 23 1 7 12 11 1 8 5 16 2 9 30 17 1 10 1 11 1 11 1 9 1 12 17 15 1 13 17 31 1 14 16 15 ar 15 16 7 ar 16 11 8 1 17 15 13 ar 18 27 7 1 19 7 14 ar 20 13 25 1 21 13 6 ar 22 14 6 ar 23 14 4 2 24 6 9 1 25 9 19 1 26 9 10 1 27 26 2 1 28 8 2 1 29 8 18 1 30 8 10 1 31 10 21 1 32 10 20 1