@MOLECULE (3as)-2,6-diamino-4-methyl-3a,4,8,9-tetrahydro-3h,10h-pyrrolo[1,2-c]purine-10,10-diol 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9237 0.7615 -0.1382 O.3 1 UNL1111111111 -0.5962 2 O -1.7495 0.1900 -1.9694 O.3 1 UNL1111111111 -0.6138 3 N -0.2122 -1.0501 0.8385 N.pl3 1 UNL1111111111 -0.5231 4 N 1.3020 1.7543 -0.1764 N.pl3 1 UNL1111111111 -0.5884 5 N -0.5963 1.2901 1.0543 N.2 1 UNL1111111111 -0.6231 6 N 1.9861 -1.3508 -0.1705 N.2 1 UNL1111111111 -0.5605 7 N 1.3349 -2.6369 1.6685 N.pl3 1 UNL1111111111 -0.6146 8 N 0.6068 3.2887 1.5765 N.pl3 1 UNL1111111111 -0.6029 9 C -0.4918 0.1827 0.0878 C.3 1 UNL1111111111 0.2790 10 C 0.6534 0.6422 -0.9221 C.3 1 UNL1111111111 -0.0460 11 C -1.8998 -0.0558 -0.5966 C.3 1 UNL1111111111 0.5161 12 C -2.2743 -1.5248 -0.3560 C.3 1 UNL1111111111 -0.3701 13 C -1.3873 -1.9552 0.8226 C.3 1 UNL1111111111 -0.0565 14 C 1.6517 -0.4851 -1.2885 C.3 1 UNL1111111111 0.0883 15 C 1.0734 -1.6392 0.7033 C.cat 1 UNL1111111111 0.5178 16 C 0.4154 2.1162 0.8638 C.cat 1 UNL1111111111 0.5399 17 C 2.9615 0.0892 -1.8468 C.3 1 UNL1111111111 -0.4401 18 H 0.1897 1.0329 -1.8640 H 1 UNL1111111111 0.1730 19 H -2.0831 -2.1251 -1.2629 H 1 UNL1111111111 0.1716 20 H -3.3493 -1.6236 -0.1262 H 1 UNL1111111111 0.1780 21 H -1.9174 -1.8137 1.7927 H 1 UNL1111111111 0.1559 22 H -1.0822 -3.0186 0.7528 H 1 UNL1111111111 0.1533 23 H 1.1593 -1.1139 -2.0874 H 1 UNL1111111111 0.1480 24 H 1.7984 2.4450 -0.7095 H 1 UNL1111111111 0.3117 25 H 3.6186 -0.7275 -2.1779 H 1 UNL1111111111 0.1646 26 H 2.7831 0.7557 -2.6928 H 1 UNL1111111111 0.1373 27 H 3.5168 0.6307 -1.0697 H 1 UNL1111111111 0.1620 28 H -2.6102 1.4492 0.5066 H 1 UNL1111111111 0.3791 29 H -2.5202 0.6887 -2.3216 H 1 UNL1111111111 0.3558 30 H 0.9398 -2.4667 2.5792 H 1 UNL1111111111 0.2909 31 H 2.3001 -2.9348 1.7043 H 1 UNL1111111111 0.2981 32 H 1.5242 3.6932 1.5870 H 1 UNL1111111111 0.2998 33 H 0.1035 3.3628 2.4486 H 1 UNL1111111111 0.3151 @BOND 1 1 11 1 2 1 28 1 3 2 11 1 4 2 29 1 5 3 9 1 6 3 13 1 7 3 15 1 8 4 10 1 9 4 16 1 10 4 24 1 11 5 9 1 12 5 16 2 13 6 14 1 14 6 15 2 15 7 15 1 16 7 30 1 17 7 31 1 18 8 16 1 19 8 32 1 20 8 33 1 21 9 10 1 22 9 11 1 23 10 14 1 24 10 18 1 25 11 12 1 26 12 13 1 27 12 19 1 28 12 20 1 29 13 21 1 30 13 22 1 31 14 17 1 32 14 23 1 33 17 25 1 34 17 26 1 35 17 27 1