@MOLECULE 2-[2-(2-amino-6-hydroxy-9h-purin-9-yl)ethylidene]propane-1,3-diol 18 19 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 4.7360 0.8969 -2.0968 O.2 1 UNL1 -0.0485 2 O 4.4927 -0.2588 2.3312 O.2 1 UNL1 -0.0472 3 O -4.7897 -0.7640 -0.0511 O.2 1 UNL1 -0.3197 4 N -0.1216 -1.0125 -0.1562 N.ar 1 UNL1 -0.4816 5 N -1.1528 1.2037 0.1213 N.ar 1 UNL1 -0.5019 6 N -2.0765 -2.2320 -0.2738 N.ar 1 UNL1 -0.5315 7 N -3.6130 1.1714 0.1330 N.ar 1 UNL1 -0.4548 8 N -2.4285 3.1602 0.3533 N.pl3 1 UNL1 -0.0671 9 C -1.1992 -0.0895 -0.0284 C.ar 1 UNL1 0.2927 10 C 1.1304 -0.6625 -0.1499 C.1 1 UNL1 0.3899 11 C -2.4092 -0.9371 -0.1140 C.ar 1 UNL1 -0.0558 12 C 2.3201 -0.3439 -0.1265 C.1 1 UNL1 -0.4173 13 C -0.7504 -2.4413 -0.3216 C.ar 1 UNL1 0.4319 14 C 3.6540 0.0226 -0.0130 C.1 1 UNL1 -0.2508 15 C -3.7003 -0.2580 -0.0193 C.ar 1 UNL1 0.5249 16 C -2.4520 1.8076 0.2024 C.ar 1 UNL1 0.3740 17 C 4.2770 0.5048 -1.1279 C.1 1 UNL1 0.5836 18 C 4.1695 -0.1064 1.2470 C.1 1 UNL1 0.5793 @BOND 1 1 17 2 2 17 14 2 3 13 6 ar 4 13 4 ar 5 6 11 ar 6 4 10 1 7 4 9 ar 8 10 12 3 9 12 14 1 10 11 9 ar 11 11 15 ar 12 3 15 2 13 9 5 ar 14 15 7 ar 15 14 18 2 16 5 16 ar 17 7 16 ar 18 16 8 1 19 18 2 2