@MOLECULE 2-(pyrido[1,2-e]purin-4-ylamino)ethanol 28 30 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.5474 -1.8014 -0.7230 O.3 1 UNL1 -0.5481 2 N 2.1968 0.2880 -0.0241 N.ar 1 UNL1 -0.2510 3 N 0.4840 -1.2332 0.1223 N.ar 1 UNL1 -0.3746 4 N -2.4221 -0.2771 0.2743 N.pl3 1 UNL1 -0.4435 5 N 0.8215 2.3629 -0.1227 N.ar 1 UNL1 -0.4863 6 N -1.5568 1.9101 -0.0093 N.ar 1 UNL1 -0.5662 7 C -0.0349 0.0529 0.0638 C.ar 1 UNL1 -0.1423 8 C 1.0143 1.0217 -0.0316 C.ar 1 UNL1 0.2300 9 C 1.8163 -1.1021 0.0691 C.ar 1 UNL1 0.2583 10 C -1.3708 0.5622 0.0882 C.ar 1 UNL1 0.4375 11 C 3.5159 0.6893 -0.0954 C.ar 1 UNL1 0.0682 12 C -3.8018 0.2166 0.1807 C.3 1 UNL1 -0.0830 13 C 2.8621 -2.0745 0.0864 C.ar 1 UNL1 -0.1801 14 C 4.4886 -0.2693 -0.0769 C.ar 1 UNL1 -0.2454 15 C 4.1564 -1.6601 0.0142 C.ar 1 UNL1 -0.0886 16 C -4.7554 -0.9669 0.4062 C.3 1 UNL1 -0.0266 17 C -0.4742 2.7291 -0.1073 C.ar 1 UNL1 0.2853 18 H -2.2800 -1.2740 0.1069 H 1 UNL1 0.3436 19 H 3.6983 1.7690 -0.1661 H 1 UNL1 0.1928 20 H -3.9865 0.6818 -0.8183 H 1 UNL1 0.1677 21 H -3.9610 1.0163 0.9426 H 1 UNL1 0.1664 22 H 2.5709 -3.1233 0.1589 H 1 UNL1 0.1881 23 H 5.5385 0.0114 -0.1321 H 1 UNL1 0.1738 24 H 4.9753 -2.3807 0.0250 H 1 UNL1 0.1601 25 H -5.8074 -0.6351 0.4349 H 1 UNL1 0.1218 26 H -4.5138 -1.5345 1.3239 H 1 UNL1 0.1287 27 H -0.6908 3.8086 -0.1837 H 1 UNL1 0.1979 28 H -5.1161 -2.5930 -0.6779 H 1 UNL1 0.3154 @BOND 1 20 12 1 2 1 28 1 3 1 16 1 4 27 17 1 5 19 11 1 6 23 14 1 7 5 17 ar 8 5 8 ar 9 17 6 ar 10 11 14 ar 11 11 2 ar 12 14 15 ar 13 8 2 ar 14 8 7 ar 15 2 9 ar 16 6 10 ar 17 15 24 1 18 15 13 ar 19 7 10 ar 20 7 3 ar 21 9 13 ar 22 9 3 ar 23 13 22 1 24 10 4 1 25 18 4 1 26 12 4 1 27 12 16 1 28 12 21 1 29 16 25 1 30 16 26 1