@MOLECULE (2s)-3-hydroxy-2-[(1s)-2-oxo-1-(6-oxo-3,6-dihydro-9h-purin-9-yl)ethoxy]propanal 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.8015 -0.1393 -1.0374 O.2 1 UNL1 -0.0895 2 O 1.0367 2.6253 1.1144 O.2 1 UNL1 -0.3825 3 O 3.1218 -2.8867 0.4725 O.2 1 UNL1 -0.1484 4 O -3.9709 0.1580 1.3708 O.2 1 UNL1 -0.3331 5 O 4.2958 1.9625 -0.2717 O.2 1 UNL1 -0.1427 6 N 0.0408 -1.3488 -0.0817 N.ar 1 UNL1 -0.5025 7 N -0.4089 1.0619 0.3626 N.ar 1 UNL1 -0.4449 8 N -2.1363 -1.9747 -0.1360 N.ar 1 UNL1 -0.4472 9 N -3.6987 0.9299 -0.7502 N.am 1 UNL1 -0.6721 10 C 1.4247 -1.2364 -0.2915 C.ar 1 UNL1 -0.0583 11 C -0.7321 -0.1418 0.1589 C.ar 1 UNL1 0.3340 12 C -2.1580 -0.7104 0.1053 C.ar 1 UNL1 0.1025 13 C 2.0069 0.9870 -0.2510 C.ar 1 UNL1 -0.3766 14 C -0.7584 -2.4672 -0.2901 C.ar 1 UNL1 0.4748 15 C 0.8989 1.6248 0.4569 C.ar 1 UNL1 0.6106 16 C 2.3272 -2.1072 0.1674 C.1 1 UNL1 0.4277 17 C -3.3642 0.1439 0.3389 C.2 1 UNL1 0.6505 18 C -4.0241 1.6643 -1.6359 C.1 1 UNL1 0.4605 19 C 3.2410 1.5050 -0.2491 C.1 1 UNL1 0.5372 @BOND 1 18 9 3 2 1 10 ar 3 1 13 ar 4 9 17 am 5 10 6 ar 6 10 16 2 7 14 8 ar 8 14 6 ar 9 5 19 2 10 13 19 2 11 13 15 ar 12 8 12 ar 13 6 11 ar 14 12 11 ar 15 12 17 1 16 11 7 ar 17 16 3 2 18 17 4 2 19 7 15 ar 20 15 2 2