@MOLECULE (2S)-1-(6-aminopurine-1,3,7-triium-9-yl)-3-azido-propan-2-ol 27 28 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5624 1.0687 -1.0639 O.3 1 UNL1 -0.5715 2 N 0.2737 0.5462 0.3447 N.ar 1 UNL1 -0.3247 3 N 2.0582 1.9482 0.1519 N.ar 1 UNL1 -0.3322 4 N 1.4884 -1.6190 0.1689 N.ar 1 UNL1 -0.5109 5 N -3.8571 -0.9564 0.4659 N.2 1 UNL1 -0.4535 6 N 3.8798 -1.3291 -0.0926 N.ar 1 UNL1 -0.5726 7 N 4.9296 0.7627 -0.1488 N.pl3 1 UNL1 -0.5488 8 N -4.7979 -0.1501 0.3371 N.2 1 UNL1 0.4479 9 N -5.7338 0.4860 0.4369 N.2 1 UNL1 -0.2139 10 C -1.0864 0.0876 0.5644 C.3 1 UNL1 -0.1183 11 C -1.8437 -0.1118 -0.7678 C.3 1 UNL1 0.1135 12 C 1.3900 -0.2634 0.2015 C.ar 1 UNL1 0.2768 13 C -2.9347 -1.2006 -0.6383 C.3 1 UNL1 -0.1101 14 C 2.5068 0.6325 0.0836 C.ar 1 UNL1 -0.2064 15 C 0.7378 1.8867 0.3110 C.ar 1 UNL1 0.1167 16 C 3.7885 0.0341 -0.0566 C.ar 1 UNL1 0.4664 17 C 2.7503 -2.0734 0.0200 C.ar 1 UNL1 0.2980 18 H -1.6391 0.8162 1.2067 H 1 UNL1 0.1817 19 H -1.0575 -0.8786 1.1348 H 1 UNL1 0.1937 20 H -1.1484 -0.3594 -1.5996 H 1 UNL1 0.1408 21 H -3.4520 -1.3205 -1.6167 H 1 UNL1 0.1528 22 H -2.4624 -2.1908 -0.3988 H 1 UNL1 0.1892 23 H 0.0702 2.7278 0.4088 H 1 UNL1 0.2002 24 H -2.0423 1.6794 -1.6201 H 1 UNL1 0.3316 25 H 2.8891 -3.1686 -0.0148 H 1 UNL1 0.2005 26 H 5.8188 0.3137 -0.2469 H 1 UNL1 0.3242 27 H 4.8845 1.7639 -0.1260 H 1 UNL1 0.3289 @BOND 1 24 1 1 2 21 13 1 3 20 11 1 4 1 11 1 5 11 13 1 6 11 10 1 7 13 22 1 8 13 5 1 9 26 7 1 10 7 27 1 11 7 16 1 12 6 16 ar 13 6 17 ar 14 16 14 ar 15 25 17 1 16 17 4 ar 17 14 3 ar 18 14 12 ar 19 3 15 ar 20 4 12 ar 21 12 2 ar 22 15 2 ar 23 15 23 1 24 8 9 2 25 8 5 2 26 2 10 1 27 10 19 1 28 10 18 1