@MOLECULE 2'-deoxyxanthosine 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O4* -2.4092 -0.2340 1.0569 O.3 1 UNL1 -0.4115 2 O3* -3.8449 2.3138 -0.3617 O.3 1 UNL1 -0.5292 3 O5* -3.6927 -2.3594 -0.4690 O.3 1 UNL1 -0.5129 4 O 4.0525 -1.9331 -0.5334 O.2 1 UNL1 -0.4061 5 O 3.5744 2.5747 -0.1809 O.2 1 UNL1 -0.4843 6 N -0.1328 -0.2785 0.6632 N.ar 1 UNL1 -0.3986 7 N 1.7068 1.3610 0.2349 N.ar 1 UNL1 -0.5518 8 N 1.0560 -2.1797 0.2964 N.ar 1 UNL1 -0.2614 9 N 3.7876 0.2966 -0.3616 N.ar 1 UNL1 -0.6438 10 C1* -1.2733 0.5903 0.9891 C.3 1 UNL1 0.3024 11 C2* -1.5192 1.6639 -0.0835 C.3 1 UNL1 -0.4179 12 C3* -2.9031 1.3308 -0.6795 C.3 1 UNL1 0.1345 13 C4* -3.2772 -0.0298 -0.0618 C.3 1 UNL1 -0.0054 14 C5* -3.1219 -1.2017 -1.0335 C.3 1 UNL1 -0.0487 15 C 1.1566 0.1037 0.3315 C.ar 1 UNL1 0.2659 16 C -0.1373 -1.7040 0.6369 C.ar 1 UNL1 0.1022 17 C 1.8865 -1.0866 0.0961 C.ar 1 UNL1 -0.1798 18 C 3.2792 -1.0495 -0.2817 C.ar 1 UNL1 0.6321 19 C 3.0826 1.4706 -0.1123 C.ar 1 UNL1 0.7160 20 H1* -1.1437 0.9824 2.0313 H 1 UNL1 0.1611 21 H2*1 -0.7499 1.6687 -0.8767 H 1 UNL1 0.1817 22 H2*2 -1.5192 2.6845 0.3415 H 1 UNL1 0.1826 23 H3* -2.9157 1.3437 -1.7914 H 1 UNL1 0.1658 24 H4* -4.2920 -0.0302 0.4020 H 1 UNL1 0.1801 25 H5*1 -2.0662 -1.3954 -1.2975 H 1 UNL1 0.1372 26 H5*2 -3.7152 -1.0539 -1.9583 H 1 UNL1 0.1606 27 H -1.0145 -2.2761 0.8862 H 1 UNL1 0.2001 28 H3* -3.9901 2.3872 0.6057 H 1 UNL1 0.3219 29 H 1.1935 2.2043 0.4533 H 1 UNL1 0.3400 30 H5* -3.2326 -2.5853 0.3682 H 1 UNL1 0.3151 31 H 4.7750 0.4059 -0.6214 H 1 UNL1 0.3522 @BOND 1 26 14 1 2 23 12 1 3 25 14 1 4 14 3 1 5 14 13 1 6 21 11 1 7 12 2 1 8 12 11 1 9 12 13 1 10 31 9 1 11 4 18 2 12 3 30 1 13 2 28 1 14 9 18 ar 15 9 19 ar 16 18 17 ar 17 5 19 2 18 19 7 ar 19 11 22 1 20 11 10 1 21 13 24 1 22 13 1 1 23 17 8 ar 24 17 15 ar 25 7 15 ar 26 7 29 1 27 8 16 ar 28 15 6 ar 29 16 6 ar 30 16 27 1 31 6 10 1 32 10 1 1 33 10 20 1