@MOLECULE 2-[2-(2-amino-9h-purin-9-yl)ethyl]-1,3-propanediol 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.8316 2.3658 0.4422 O.3 1 UNL1 -0.3878 2 O 4.4766 -1.5093 -0.6206 O.3 1 UNL1 -0.4157 3 N -0.5519 -1.1840 0.6492 N.ar 1 UNL1 -0.0837 4 N -2.2937 -2.4831 -0.0395 N.ar 1 UNL1 -0.3550 5 N -1.5781 1.0384 0.2940 N.ar 1 UNL1 -0.5977 6 N -3.8893 0.8467 -0.5450 N.ar 1 UNL1 -0.6408 7 N -2.8801 2.9227 -0.1584 N.pl3 1 UNL1 -1.0516 8 C 2.9707 0.1222 0.1265 C.3 1 UNL1 0.2798 9 C 1.7063 -0.6799 -0.2000 C.3 1 UNL1 -0.2881 10 C 0.7962 -0.7982 1.0368 C.3 1 UNL1 -0.4877 11 C 2.6722 1.6295 0.1128 C.3 1 UNL1 -0.5523 12 C 4.0708 -0.1767 -0.9043 C.3 1 UNL1 -0.6989 13 C -1.5602 -0.3129 0.2748 C.ar 1 UNL1 0.2856 14 C -1.0457 -2.4959 0.4149 C.ar 1 UNL1 -0.0227 15 C -2.6670 -1.1431 -0.1457 C.ar 1 UNL1 -0.1467 16 C -3.8384 -0.4847 -0.5540 C.ar 1 UNL1 0.1605 17 C -2.7709 1.5616 -0.1288 C.ar 1 UNL1 0.7815 18 H 3.3559 -0.1802 1.1313 H 1 UNL1 0.1685 19 H 1.9890 -1.6922 -0.5588 H 1 UNL1 0.2063 20 H 1.1549 -0.2109 -1.0389 H 1 UNL1 0.1460 21 H 0.7406 0.1790 1.5791 H 1 UNL1 0.2580 22 H 1.2018 -1.5481 1.7542 H 1 UNL1 0.2651 23 H 2.4220 2.0032 -0.8982 H 1 UNL1 0.2937 24 H 1.8561 1.9010 0.8061 H 1 UNL1 0.2006 25 H 4.9341 0.5032 -0.7817 H 1 UNL1 0.2629 26 H 3.7007 -0.1286 -1.9426 H 1 UNL1 0.2477 27 H -0.4461 -3.3708 0.6128 H 1 UNL1 0.3023 28 H 4.1423 2.1455 1.3411 H 1 UNL1 0.3061 29 H 5.2348 -1.7605 -1.1784 H 1 UNL1 0.3435 30 H -4.7354 -1.0257 -0.8865 H 1 UNL1 0.2488 31 H -3.7405 3.3491 -0.4383 H 1 UNL1 0.4884 32 H -2.1226 3.4945 0.1548 H 1 UNL1 0.4836 @BOND 1 26 12 1 2 29 2 1 3 20 9 1 4 12 25 1 5 12 2 1 6 12 8 1 7 23 11 1 8 30 16 1 9 19 9 1 10 16 6 ar 11 16 15 ar 12 6 17 ar 13 31 7 1 14 9 8 1 15 9 10 1 16 7 17 1 17 7 32 1 18 15 4 ar 19 15 13 ar 20 17 5 ar 21 4 14 ar 22 11 8 1 23 11 1 1 24 11 24 1 25 8 18 1 26 13 5 ar 27 13 3 ar 28 14 27 1 29 14 3 ar 30 1 28 1 31 3 10 1 32 10 21 1 33 10 22 1