@MOLECULE (2r)-3-(6-amino-9h-purin-9-yl)-1,2-propanediol 26 27 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5718 -1.0720 0.8754 O.3 1 UNL1111111111 -0.3830 2 O 4.6198 0.9164 0.8937 O.3 1 UNL1111111111 -0.3487 3 N 0.2984 -0.5587 -0.7800 N.ar 1 UNL1111111111 -0.2699 4 N -1.3866 -1.9150 -0.0705 N.ar 1 UNL1111111111 -0.3301 5 N -0.8438 1.6291 -0.5093 N.ar 1 UNL1111111111 -0.5949 6 N -3.1119 1.4024 0.3066 N.ar 1 UNL1111111111 -0.6955 7 N -4.1193 -0.6499 0.7923 N.pl3 1 UNL1111111111 -0.9302 8 C 1.6360 -0.1350 -1.1507 C.3 1 UNL1111111111 -0.3433 9 C 2.4851 0.1204 0.1189 C.3 1 UNL1111111111 0.0998 10 C -0.7573 0.2755 -0.4515 C.ar 1 UNL1111111111 0.3777 11 C -1.8163 -0.5927 -0.0154 C.ar 1 UNL1111111111 -0.2872 12 C 3.9436 0.4404 -0.2465 C.3 1 UNL1111111111 -0.5224 13 C -0.1324 -1.8850 -0.5161 C.ar 1 UNL1111111111 0.0383 14 C -3.0305 0.0396 0.3677 C.ar 1 UNL1111111111 0.7170 15 C -2.0402 2.1166 -0.1205 C.ar 1 UNL1111111111 0.3063 16 H 2.1093 -0.9194 -1.7850 H 1 UNL1111111111 0.2252 17 H 1.5724 0.8010 -1.7611 H 1 UNL1111111111 0.2235 18 H 2.0396 0.9208 0.7533 H 1 UNL1111111111 0.1400 19 H 4.0205 1.2778 -0.9642 H 1 UNL1111111111 0.2693 20 H 4.4695 -0.4507 -0.6362 H 1 UNL1111111111 0.2412 21 H 0.5047 -2.7395 -0.6892 H 1 UNL1111111111 0.2638 22 H 1.6894 -1.3182 1.2222 H 1 UNL1111111111 0.3025 23 H -2.1668 3.2139 -0.1474 H 1 UNL1111111111 0.2159 24 H 4.5470 0.2551 1.6192 H 1 UNL1111111111 0.3163 25 H -4.9527 -0.1675 1.0698 H 1 UNL1111111111 0.4768 26 H -4.0836 -1.6490 0.8627 H 1 UNL1111111111 0.4914 @BOND 1 1 9 1 2 1 22 1 3 2 12 1 4 2 24 1 5 3 8 1 6 3 10 ar 7 3 13 ar 8 4 11 ar 9 4 13 ar 10 5 10 ar 11 5 15 ar 12 6 14 ar 13 6 15 ar 14 7 14 1 15 7 25 1 16 7 26 1 17 8 9 1 18 8 16 1 19 8 17 1 20 9 12 1 21 9 18 1 22 10 11 ar 23 11 14 ar 24 12 19 1 25 12 20 1 26 13 21 1 27 15 23 1