@MOLECULE 2-(2-amino-6-oxo-3,6-dihydro-9h-purin-9-yl)-1,4-anhydro-2,3-dideoxy-l-threo-pentitol 31 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.4107 0.1398 -1.2090 O.3 1 UNL1 -0.3839 2 O 5.8992 -0.4370 0.8313 O.3 1 UNL1 -0.5271 3 O -4.3213 1.7994 0.3028 O.2 1 UNL1 -0.3607 4 N 0.0699 0.3425 -0.1357 N.ar 1 UNL1 -0.3371 5 N -1.7376 -1.3937 -0.1328 N.ar 1 UNL1 -0.5336 6 N -1.2479 2.1748 0.1027 N.ar 1 UNL1 -0.2650 7 N -3.9520 -0.4366 0.1358 N.ar 1 UNL1 -0.6117 8 N -3.6481 -2.7649 0.1642 N.pl3 1 UNL1 -0.6083 9 C 1.2410 -0.4794 -0.3775 C.3 1 UNL1 0.0475 10 C 2.2547 -0.4203 0.7881 C.3 1 UNL1 -0.3578 11 C 3.6100 -0.4697 0.0683 C.3 1 UNL1 0.0673 12 C 2.0557 0.0179 -1.6041 C.3 1 UNL1 -0.0706 13 C 4.7274 0.3399 0.7367 C.3 1 UNL1 -0.0328 14 C -1.2420 -0.0989 -0.0511 C.ar 1 UNL1 0.2052 15 C 0.0110 1.7587 -0.0303 C.ar 1 UNL1 0.0756 16 C -2.0535 1.0518 0.0893 C.ar 1 UNL1 -0.1593 17 C -3.5111 0.9227 0.1929 C.ar 1 UNL1 0.6159 18 C -3.1557 -1.4612 0.0504 C.ar 1 UNL1 0.5742 19 H 0.9146 -1.5367 -0.5491 H 1 UNL1 0.1461 20 H 2.1355 0.5104 1.3739 H 1 UNL1 0.1727 21 H 2.1229 -1.2457 1.5023 H 1 UNL1 0.1585 22 H 3.9407 -1.5152 -0.1258 H 1 UNL1 0.1427 23 H 2.0228 -0.6926 -2.4459 H 1 UNL1 0.1426 24 H 1.7614 1.0213 -1.9581 H 1 UNL1 0.1572 25 H 4.4509 0.7272 1.7321 H 1 UNL1 0.1240 26 H 5.0441 1.1870 0.0885 H 1 UNL1 0.1745 27 H 0.8937 2.3750 -0.0541 H 1 UNL1 0.2005 28 H -1.1485 -2.1817 0.0921 H 1 UNL1 0.3202 29 H 5.7944 -1.1590 1.4811 H 1 UNL1 0.3063 30 H -3.2502 -3.4734 -0.4252 H 1 UNL1 0.2944 31 H -4.6583 -2.8299 0.2494 H 1 UNL1 0.3225 @BOND 1 23 12 1 2 24 12 1 3 12 1 1 4 12 9 1 5 1 11 1 6 19 9 1 7 30 8 1 8 9 4 1 9 9 10 1 10 4 14 ar 11 4 15 ar 12 5 14 ar 13 5 18 ar 14 5 28 1 15 22 11 1 16 27 15 1 17 14 16 ar 18 15 6 ar 19 18 7 ar 20 18 8 1 21 11 13 1 22 11 10 1 23 26 13 1 24 16 6 ar 25 16 17 ar 26 7 17 ar 27 8 31 1 28 17 3 2 29 13 2 1 30 13 25 1 31 10 20 1 32 10 21 1 33 2 29 1