@MOLECULE ethyl adenine-9-acetate 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.4263 -0.0953 0.2625 O.3 1 UNL1111111111 -0.4335 2 O -1.8315 0.3742 -1.2579 O.2 1 UNL1111111111 -0.4614 3 N 0.0547 0.6505 0.7954 N.ar 1 UNL1111111111 -0.3161 4 N 1.7863 1.9223 0.0431 N.ar 1 UNL1111111111 -0.3275 5 N 1.1108 -1.5876 0.5739 N.ar 1 UNL1111111111 -0.5097 6 N 3.3793 -1.4715 -0.2616 N.ar 1 UNL1111111111 -0.5708 7 N 4.4626 0.5274 -0.8059 N.pl3 1 UNL1111111111 -0.5517 8 C 1.0734 -0.2350 0.4722 C.ar 1 UNL1111111111 0.2941 9 C -1.2958 0.2687 1.1298 C.3 1 UNL1111111111 -0.1472 10 C 2.1652 0.5810 0.0193 C.ar 1 UNL1111111111 -0.2016 11 C 0.5315 1.9528 0.4800 C.ar 1 UNL1111111111 0.1365 12 C 3.3490 -0.1071 -0.3568 C.ar 1 UNL1111111111 0.4678 13 C -2.1633 0.1973 -0.1192 C.2 1 UNL1111111111 0.5674 14 C -4.3840 -0.2551 -0.8007 C.3 1 UNL1111111111 0.0174 15 C 2.2847 -2.1314 0.1885 C.ar 1 UNL1111111111 0.3006 16 C -5.6750 -0.6007 -0.0799 C.3 1 UNL1111111111 -0.4655 17 H -1.2924 -0.7429 1.6273 H 1 UNL1111111111 0.2146 18 H -1.7366 0.9830 1.8674 H 1 UNL1111111111 0.1869 19 H -0.0780 2.8326 0.6127 H 1 UNL1111111111 0.1978 20 H -4.4410 0.6930 -1.3636 H 1 UNL1111111111 0.1343 21 H -4.0301 -1.0619 -1.4676 H 1 UNL1111111111 0.1391 22 H 2.3669 -3.2318 0.2422 H 1 UNL1111111111 0.2009 23 H 5.2756 0.0064 -1.0692 H 1 UNL1111111111 0.3232 24 H 4.4658 1.5249 -0.8997 H 1 UNL1111111111 0.3279 25 H -6.4937 -0.7606 -0.7913 H 1 UNL1111111111 0.1556 26 H -5.5663 -1.5149 0.5196 H 1 UNL1111111111 0.1623 27 H -5.9779 0.1985 0.6090 H 1 UNL1111111111 0.1586 @BOND 1 1 13 1 2 1 14 1 3 2 13 2 4 3 8 ar 5 3 9 1 6 3 11 ar 7 4 10 ar 8 4 11 ar 9 5 8 ar 10 5 15 ar 11 6 12 ar 12 6 15 ar 13 7 12 1 14 7 23 1 15 7 24 1 16 8 10 ar 17 9 13 1 18 9 17 1 19 9 18 1 20 10 12 ar 21 11 19 1 22 14 16 1 23 14 20 1 24 14 21 1 25 15 22 1 26 16 25 1 27 16 26 1 28 16 27 1