@MOLECULE (6r)-2-amino-6-[(1s,2r)-1,2-dihydroxypropyl]-4a-hydroxy-4a,5,6,7-tetrahydro-4(1h)-pteridinone 33 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5093 -1.5364 0.1729 O.3 1 UNL1111111111 -0.5489 2 O 0.7805 0.5373 -1.6432 O.3 1 UNL1111111111 -0.5626 3 O -3.5088 0.8207 -1.2536 O.3 1 UNL1111111111 -0.5817 4 O 1.4436 2.5171 0.6981 O.2 1 UNL1111111111 -0.3516 5 N -0.4391 0.4755 0.3159 N.3 1 UNL1111111111 -0.5332 6 N 0.6810 -2.1100 0.1810 N.2 1 UNL1111111111 -0.3897 7 N 2.8183 -1.2207 0.0277 N.pl3 1 UNL1111111111 -0.5159 8 N 3.2043 1.1383 0.2257 N.am 1 UNL1111111111 -0.6462 9 N 5.0203 -0.3938 0.0449 N.pl3 1 UNL1111111111 -0.6143 10 C -1.3438 -0.5983 -0.1657 C.3 1 UNL1111111111 -0.0369 11 C -2.7140 -0.4365 0.5427 C.3 1 UNL1111111111 0.1097 12 C 0.8841 0.3548 -0.2447 C.3 1 UNL1111111111 0.2615 13 C -0.7641 -1.9936 0.2089 C.3 1 UNL1111111111 -0.1092 14 C -3.4211 0.8856 0.1607 C.3 1 UNL1111111111 0.1203 15 C 1.4087 -1.0666 0.0177 C.2 1 UNL1111111111 0.2664 16 C 1.8403 1.4604 0.3034 C.2 1 UNL1111111111 0.5317 17 C -4.8049 0.9708 0.7885 C.3 1 UNL1111111111 -0.5002 18 C 3.6213 -0.0986 0.1159 C.2 1 UNL1111111111 0.5758 19 H -1.4876 -0.5394 -1.2775 H 1 UNL1111111111 0.1682 20 H -2.6189 -0.5324 1.6479 H 1 UNL1111111111 0.1593 21 H -0.8296 1.4100 0.1411 H 1 UNL1111111111 0.3004 22 H -1.0934 -2.2921 1.2371 H 1 UNL1111111111 0.1769 23 H -1.1872 -2.7676 -0.4760 H 1 UNL1111111111 0.1725 24 H -2.8023 1.7744 0.4213 H 1 UNL1111111111 0.1277 25 H 3.2133 -2.1603 0.0613 H 1 UNL1111111111 0.3514 26 H -5.4111 0.0888 0.5325 H 1 UNL1111111111 0.1722 27 H -5.3519 1.8593 0.4567 H 1 UNL1111111111 0.1497 28 H -4.7483 1.0082 1.8834 H 1 UNL1111111111 0.1629 29 H -3.8295 -1.4196 -0.7520 H 1 UNL1111111111 0.3350 30 H 1.6563 0.5930 -2.0793 H 1 UNL1111111111 0.3340 31 H -4.1254 1.4913 -1.6026 H 1 UNL1111111111 0.3287 32 H 5.4767 -0.2935 0.9494 H 1 UNL1111111111 0.2916 33 H 5.4982 0.2081 -0.6252 H 1 UNL1111111111 0.2946 @BOND 1 1 11 1 2 1 29 1 3 2 12 1 4 2 30 1 5 3 14 1 6 3 31 1 7 4 16 2 8 5 10 1 9 5 12 1 10 5 21 1 11 6 13 1 12 6 15 2 13 7 15 1 14 7 18 1 15 7 25 1 16 8 16 1 17 8 18 2 18 9 18 1 19 9 32 1 20 9 33 1 21 10 11 1 22 10 13 1 23 10 19 1 24 11 14 1 25 11 20 1 26 12 15 1 27 12 16 1 28 13 22 1 29 13 23 1 30 14 17 1 31 14 24 1 32 17 26 1 33 17 27 1 34 17 28 1