@MOLECULE 2-(6-amino-9h-purin-9-yl)-3,4a,5,6-tetrahydroxydecahydrofuro[3,2-b]pyrano[2,3-e]pyran-7-carboxylic acid 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5192 -1.0264 -0.8366 O.3 1 UNL111111 -0.4427 2 O -0.7964 -0.3986 1.9516 O.3 1 UNL111111 -0.4156 3 O 2.9957 1.3444 0.5179 O.3 1 UNL111111 -0.3298 4 O 1.5674 0.6247 -1.8675 O.3 1 UNL111111 -0.5078 5 O -1.6978 -3.2475 0.4826 O.3 1 UNL111111 -0.5391 6 O 2.8603 -1.6592 -2.2908 O.3 1 UNL111111 -0.5351 7 O 5.2820 -1.1621 -0.8580 O.3 1 UNL111111 -0.5710 8 O 6.4786 0.8895 0.4322 O.3 1 UNL111111 -0.6181 9 O 5.2746 2.7632 0.5442 O.2 1 UNL111111 -0.4160 10 N -2.6750 0.1126 0.7321 N.ar 1 UNL111111 -0.3712 11 N -3.2929 2.1687 -0.0124 N.ar 1 UNL111111 -0.3422 12 N -4.7731 -1.1194 0.2455 N.ar 1 UNL111111 -0.5296 13 N -6.4839 0.3001 -0.7128 N.ar 1 UNL111111 -0.5731 14 N -6.1864 2.5740 -1.1648 N.pl3 1 UNL111111 -0.5509 15 C 0.3944 -1.1391 1.6491 C.3 1 UNL111111 0.0730 16 C 0.1822 -1.8106 0.2818 C.3 1 UNL111111 0.0609 17 C 1.6986 -0.2545 -0.7969 C.3 1 UNL111111 0.4182 18 C 1.7766 0.6340 0.4642 C.3 1 UNL111111 0.0546 19 C 1.5496 -0.1606 1.7464 C.3 1 UNL111111 -0.3560 20 C -1.3565 -1.9243 0.1676 C.3 1 UNL111111 0.0710 21 C 2.9550 -1.1430 -0.9831 C.3 1 UNL111111 0.0349 22 C -1.8993 -0.9837 1.2902 C.3 1 UNL111111 0.2472 23 C 4.2073 -0.2525 -0.8707 C.3 1 UNL111111 0.0717 24 C 4.1677 0.5548 0.4444 C.3 1 UNL111111 -0.0449 25 C 5.2900 1.5722 0.4801 C.2 1 UNL111111 0.6126 26 C -3.9803 -0.0160 0.2823 C.ar 1 UNL111111 0.2687 27 C -2.2991 1.4638 0.5245 C.ar 1 UNL111111 0.1674 28 C -4.3597 1.2873 -0.1807 C.ar 1 UNL111111 -0.1901 29 C -5.6798 1.4070 -0.6920 C.ar 1 UNL111111 0.4689 30 C -6.0045 -0.8827 -0.2561 C.ar 1 UNL111111 0.3027 31 H 0.4628 -1.9168 2.4499 H 1 UNL111111 0.1461 32 H 0.6941 -2.7905 0.1827 H 1 UNL111111 0.1630 33 H 1.0551 1.4886 0.3620 H 1 UNL111111 0.1922 34 H 1.3571 0.5511 2.5846 H 1 UNL111111 0.1880 35 H 2.4698 -0.7021 2.0430 H 1 UNL111111 0.1568 36 H -1.7226 -1.6598 -0.8485 H 1 UNL111111 0.1716 37 H 2.9844 -1.9936 -0.2705 H 1 UNL111111 0.1448 38 H -2.5071 -1.5297 2.0591 H 1 UNL111111 0.1740 39 H 4.3044 0.4104 -1.7622 H 1 UNL111111 0.1633 40 H 4.2441 -0.1198 1.3316 H 1 UNL111111 0.1664 41 H 1.4360 0.1165 -2.7109 H 1 UNL111111 0.3522 42 H -2.6685 -3.3752 0.3437 H 1 UNL111111 0.3433 43 H 3.7195 -2.0744 -2.5412 H 1 UNL111111 0.3382 44 H 6.1069 -0.7153 -0.5574 H 1 UNL111111 0.3515 45 H -1.3171 1.8290 0.7902 H 1 UNL111111 0.2075 46 H 7.2788 1.4676 0.4403 H 1 UNL111111 0.3712 47 H -6.6988 -1.7398 -0.3043 H 1 UNL111111 0.1986 48 H -5.6198 3.4014 -1.1664 H 1 UNL111111 0.3296 49 H -7.1226 2.6198 -1.5172 H 1 UNL111111 0.3232 @BOND 1 1 16 1 2 1 17 1 3 2 15 1 4 2 22 1 5 3 18 1 6 3 24 1 7 4 17 1 8 4 41 1 9 5 20 1 10 5 42 1 11 6 21 1 12 6 43 1 13 7 23 1 14 7 44 1 15 8 25 1 16 8 46 1 17 9 25 2 18 10 22 1 19 10 26 ar 20 10 27 ar 21 11 27 ar 22 11 28 ar 23 12 26 ar 24 12 30 ar 25 13 29 ar 26 13 30 ar 27 14 29 1 28 14 48 1 29 14 49 1 30 15 16 1 31 15 19 1 32 15 31 1 33 16 20 1 34 16 32 1 35 17 18 1 36 17 21 1 37 18 19 1 38 18 33 1 39 19 34 1 40 19 35 1 41 20 22 1 42 20 36 1 43 21 23 1 44 21 37 1 45 22 38 1 46 23 24 1 47 23 39 1 48 24 25 1 49 24 40 1 50 26 28 ar 51 27 45 1 52 28 29 ar 53 30 47 1