@MOLECULE (2s)-1-(6-amino-9h-purin-9-yl)-2-propanol 25 26 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1348 -0.5381 -0.7838 C.3 1 UNL1111 -0.1493 2 C -2.9213 -0.0464 0.4615 C.3 1 UNL1111 0.1742 3 O -2.3429 1.0916 1.0399 O.3 1 UNL1111 -0.5635 4 C -4.3578 0.2840 0.0581 C.3 1 UNL1111 -0.4956 5 C 0.2668 0.0830 -0.3544 C.ar 1 UNL1111 0.2813 6 C 1.4350 -0.6624 0.0240 C.ar 1 UNL1111 -0.2015 7 C 2.6341 0.0855 0.1770 C.ar 1 UNL1111 0.4714 8 N 2.6060 1.4343 -0.0448 N.ar 1 UNL1111 -0.5710 9 C 1.4376 2.0295 -0.3917 C.ar 1 UNL1111 0.3069 10 N 3.8146 -0.4798 0.5362 N.pl3 1 UNL1111 -0.5482 11 N -0.7554 -0.8447 -0.4573 N.ar 1 UNL1111 -0.3097 12 N 1.1011 -2.0060 0.1625 N.ar 1 UNL1111 -0.3311 13 C -0.1986 -2.1018 -0.1148 C.ar 1 UNL1111 0.1159 14 N 0.2421 1.4274 -0.5569 N.ar 1 UNL1111 -0.5361 15 H -2.6272 -1.4356 -1.2197 H 1 UNL1111 0.1603 16 H -2.1507 0.2559 -1.5736 H 1 UNL1111 0.1778 17 H -2.8834 -0.7937 1.2881 H 1 UNL1111 0.1429 18 H -1.7883 1.6046 0.4097 H 1 UNL1111 0.3487 19 H -4.8868 0.7338 0.9120 H 1 UNL1111 0.1718 20 H -4.3957 1.0222 -0.7506 H 1 UNL1111 0.1568 21 H -4.9161 -0.6027 -0.2516 H 1 UNL1111 0.1475 22 H 1.4761 3.1225 -0.5476 H 1 UNL1111 0.2028 23 H 4.6386 0.0801 0.6395 H 1 UNL1111 0.3236 24 H 3.8653 -1.4655 0.7095 H 1 UNL1111 0.3279 25 H -0.7848 -3.0064 -0.1023 H 1 UNL1111 0.1962 @BOND 1 1 2 1 2 1 11 1 3 1 15 1 4 1 16 1 5 2 3 1 6 2 4 1 7 2 17 1 8 3 18 1 9 4 19 1 10 4 20 1 11 4 21 1 12 5 6 ar 13 5 11 ar 14 5 14 ar 15 6 7 ar 16 6 12 ar 17 7 8 ar 18 7 10 1 19 8 9 ar 20 9 14 ar 21 9 22 1 22 10 23 1 23 10 24 1 24 11 13 ar 25 12 13 ar 26 13 25 1