@MOLECULE 5-amino-2'-deoxyuridine 30 31 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* 1.5050 0.2458 -1.0430 O.3 1 UNL1 -0.1539 2 O3* 4.2000 0.7054 0.6769 O.3 1 UNL1 -0.4462 3 O5* 1.2082 -2.3083 -1.4138 O.3 1 UNL1 -0.3410 4 O -1.1881 2.7525 -0.7055 O.2 1 UNL1 -0.3737 5 O -4.2573 -0.5060 0.0304 O.2 1 UNL1 -0.3103 6 N -0.4190 0.7688 0.1427 N.ar 1 UNL1 0.0806 7 N -2.7442 1.1364 -0.3015 N.ar 1 UNL1 -0.5555 8 N -2.3110 -2.2791 1.0608 N.pl3 1 UNL1 -0.8257 9 C3* 2.9497 0.0798 0.8619 C.3 1 UNL1 0.0420 10 C1* 0.9808 1.1624 -0.1045 C.3 1 UNL1 -0.1852 11 C2* 1.8459 1.1053 1.1661 C.3 1 UNL1 -0.5991 12 C4* 2.5982 -0.5018 -0.5244 C.3 1 UNL1 -0.1902 13 C5* 2.1994 -1.9878 -0.4650 C.3 1 UNL1 -0.5158 14 C -0.7061 -0.5349 0.5512 C.ar 1 UNL1 -0.3029 15 C -1.4290 1.6263 -0.3261 C.ar 1 UNL1 0.2948 16 C -1.9789 -1.0159 0.5469 C.ar 1 UNL1 0.0714 17 C -3.0993 -0.1639 0.0969 C.ar 1 UNL1 0.3861 18 H3* 3.0597 -0.6873 1.6543 H 1 UNL1 0.1694 19 H1* 1.0045 2.1567 -0.6292 H 1 UNL1 0.2867 20 H2*1 1.2580 0.8376 2.0609 H 1 UNL1 0.2437 21 H2*2 2.2788 2.1009 1.3804 H 1 UNL1 0.2616 22 H4* 3.4135 -0.3204 -1.2658 H 1 UNL1 0.2799 23 H5*1 1.8166 -2.2910 0.5266 H 1 UNL1 0.2519 24 H5*2 3.0505 -2.6434 -0.7339 H 1 UNL1 0.2932 25 H3* 4.5078 1.1376 1.4976 H 1 UNL1 0.3192 26 H 0.1444 -1.1359 0.8839 H 1 UNL1 0.3140 27 H -3.4812 1.7664 -0.6351 H 1 UNL1 0.3756 28 H5* 0.6141 -1.5313 -1.5446 H 1 UNL1 0.3144 29 H -3.2751 -2.5484 0.9161 H 1 UNL1 0.4265 30 H -1.6642 -3.0156 0.8382 H 1 UNL1 0.3885 @BOND 1 28 3 1 2 3 13 1 3 22 12 1 4 1 12 1 5 1 10 1 6 24 13 1 7 4 15 2 8 27 7 1 9 19 10 1 10 12 13 1 11 12 9 1 12 13 23 1 13 15 7 ar 14 15 6 ar 15 7 17 ar 16 10 6 1 17 10 11 1 18 5 17 2 19 17 16 ar 20 6 14 ar 21 16 14 ar 22 16 8 1 23 14 26 1 24 2 9 1 25 2 25 1 26 30 8 1 27 9 11 1 28 9 18 1 29 29 8 1 30 11 21 1 31 11 20 1