@MOLECULE 2'-deoxyadenosine 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -1.4608 0.7153 1.0535 O.3 1 A1 -0.4121 2 O3* -4.3621 0.9657 -0.6187 O.3 1 A1 -0.5533 3 O5* -3.5632 -2.2210 0.8861 O.3 1 A1 -0.5459 4 N9 0.1780 0.4921 -0.6012 N.pl3 1 A1 -0.3579 5 N7 1.3575 -1.4389 -1.1235 N.pl3 1 A1 -0.3595 6 N3 1.9850 1.6879 0.5769 N.ar 1 A1 -0.5077 7 N1 4.0885 0.5044 0.6218 N.ar 1 A1 -0.5436 8 N6 4.3896 -1.6603 -0.2217 N.pl3 1 A1 -0.5793 9 C1* -0.9582 1.2861 -0.1401 C.3 1 A1 0.3097 10 C2* -2.0980 1.2937 -1.1690 C.3 1 A1 -0.3645 11 C3* -3.1233 0.2872 -0.6252 C.3 1 A1 0.1295 12 C4* -2.6665 0.0008 0.8251 C.3 1 A1 0.0108 13 C5* -2.3743 -1.4845 1.0792 C.3 1 A1 -0.0437 14 C4 1.4586 0.6242 -0.0653 C.ar 1 A1 0.3675 15 C8 0.0954 -0.8031 -1.1620 C.3 1 A1 -0.0897 16 C5 2.1998 -0.5629 -0.3832 C.ar 1 A1 -0.2210 17 C6 3.5556 -0.5813 -0.0270 C.ar 1 A1 0.4144 18 C2 3.2975 1.5595 0.8977 C.ar 1 A1 0.2851 19 H1* -0.5857 2.2969 0.1756 H 1 A1 0.1827 20 H2*1 -1.7610 1.0525 -2.1897 H 1 A1 0.1736 21 H2*2 -2.5609 2.3011 -1.2355 H 1 A1 0.1900 22 H3* -3.2189 -0.6300 -1.2392 H 1 A1 0.1346 23 H4* -3.3834 0.4178 1.5651 H 1 A1 0.1553 24 H5*1 -1.9614 -1.6518 2.0884 H 1 A1 0.1347 25 H5*2 -1.6764 -1.9119 0.3351 H 1 A1 0.1533 26 H8 -0.7392 -1.1735 -1.7060 H 1 A1 0.1881 27 H3* -5.0920 0.3420 -0.4337 H 1 A1 0.3199 28 H7 1.3897 -2.4241 -0.9028 H 1 A1 0.2931 29 H5* -4.1538 -2.1387 1.6605 H 1 A1 0.3139 30 H2 3.7644 2.4083 1.4269 H 1 A1 0.2022 31 H61 5.3637 -1.5479 0.0069 H 1 A1 0.3165 32 H62 4.1781 -2.3071 -0.9536 H 1 A1 0.3033 @BOND 1 20 10 1 2 26 15 1 3 22 11 1 4 21 10 1 5 10 11 1 6 10 9 1 7 15 5 1 8 15 4 1 9 5 28 1 10 5 16 1 11 32 8 1 12 11 2 1 13 11 12 1 14 2 27 1 15 4 9 1 16 4 14 1 17 16 14 ar 18 16 17 ar 19 8 17 1 20 8 31 1 21 9 19 1 22 9 1 1 23 14 6 ar 24 17 7 ar 25 25 13 1 26 6 18 ar 27 7 18 ar 28 12 1 1 29 12 13 1 30 12 23 1 31 3 13 1 32 3 29 1 33 18 30 1 34 13 24 1