@MOLECULE 2'-deoxy-3'-adenylic acid 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -4.1959 -0.7683 0.0776 P.3 1 UNL1 0.3684 2 O -0.3441 1.6677 -0.9289 O.3 1 UNL1 -0.4246 3 O -2.9607 0.1621 -0.3431 O.3 1 UNL1 -0.3600 4 O 0.2769 3.1392 1.2868 O.3 1 UNL1 -0.5173 5 O -5.2991 -0.0815 -0.8534 O.3 1 UNL1 -0.3576 6 O -4.6371 -0.2936 1.5278 O.3 1 UNL1 -0.3164 7 O -4.0078 -2.2005 -0.0127 O.2 1 UNL1 -0.2295 8 N 1.5784 0.4305 -0.9322 N.ar 1 UNL1 -0.3961 9 N 3.6208 1.3963 -0.6015 N.ar 1 UNL1 -0.3319 10 N 2.1175 -1.8432 -0.0631 N.ar 1 UNL1 -0.5267 11 N 4.4169 -2.0504 0.6611 N.ar 1 UNL1 -0.5728 12 N 5.9509 -0.2864 0.6052 N.pl3 1 UNL1 -0.5469 13 C -1.6640 0.0691 0.2525 C.3 1 UNL1 0.1444 14 C -0.7086 -0.6730 -0.7075 C.3 1 UNL1 -0.3895 15 C 0.1602 0.4166 -1.3369 C.3 1 UNL1 0.3168 16 C -1.1753 1.5405 0.2217 C.3 1 UNL1 0.0325 17 C -0.3648 1.8976 1.4753 C.3 1 UNL1 -0.0550 18 C 2.3829 -0.5482 -0.3710 C.ar 1 UNL1 0.2955 19 C 2.3839 1.5983 -1.0448 C.ar 1 UNL1 0.1213 20 C 3.6689 0.0708 -0.1790 C.ar 1 UNL1 -0.2093 21 C 4.6971 -0.7448 0.3644 C.ar 1 UNL1 0.4681 22 C 3.1693 -2.5268 0.4334 C.ar 1 UNL1 0.3024 23 H -1.6443 -0.3659 1.2755 H 1 UNL1 0.1469 24 H -0.1332 -1.4592 -0.1781 H 1 UNL1 0.2106 25 H -1.2660 -1.2273 -1.4893 H 1 UNL1 0.1917 26 H 0.1235 0.4477 -2.4569 H 1 UNL1 0.1565 27 H -1.9863 2.2758 0.0254 H 1 UNL1 0.1753 28 H 0.3895 1.1297 1.7238 H 1 UNL1 0.1274 29 H -1.0232 2.0703 2.3526 H 1 UNL1 0.1529 30 H 1.9935 2.5183 -1.4582 H 1 UNL1 0.2055 31 H 0.9522 3.0361 0.5790 H 1 UNL1 0.3172 32 H 3.0000 -3.5886 0.6864 H 1 UNL1 0.2005 33 H -4.8888 0.1237 -1.7699 H 1 UNL1 0.3282 34 H -5.3096 0.4788 1.4396 H 1 UNL1 0.3182 35 H 6.1865 0.6646 0.3873 H 1 UNL1 0.3303 36 H 6.6509 -0.8944 0.9804 H 1 UNL1 0.3230 @BOND 1 26 15 1 2 33 5 1 3 25 14 1 4 30 19 1 5 15 8 1 6 15 2 1 7 15 14 1 8 19 8 ar 9 19 9 ar 10 8 18 ar 11 2 16 1 12 5 1 1 13 14 24 1 14 14 13 1 15 9 20 ar 16 18 20 ar 17 18 10 ar 18 3 1 1 19 3 13 1 20 20 21 ar 21 10 22 ar 22 7 1 2 23 27 16 1 24 1 6 1 25 16 13 1 26 16 17 1 27 13 23 1 28 21 12 1 29 21 11 ar 30 35 12 1 31 22 11 ar 32 22 32 1 33 31 4 1 34 12 36 1 35 4 17 1 36 34 6 1 37 17 28 1 38 17 29 1