HMDB0247740 RDKit 3D (2S,3R,4R,5R)-5-[6-[(4-Aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-me... 50 53 0 0 0 0 0 0 0 0999 V2000 -8.3207 -0.4526 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9198 -0.8787 -0.0639 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8859 0.0168 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1775 1.1959 0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4773 -0.3765 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 0.6234 0.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5388 0.6424 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 0.8366 0.5437 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0744 0.8447 1.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 1.0623 2.1105 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 1.2012 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 1.4372 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1366 1.5738 1.6314 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5395 1.8206 1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 0.7262 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 0.9578 -0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 0.0044 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 -1.2470 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8503 -2.2752 -1.8681 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 -1.5090 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4196 -0.5262 1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 1.5236 -0.7026 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 1.3818 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 1.1530 -1.3537 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 1.0570 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5247 -0.6534 -0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -0.5010 -2.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 -0.9433 -1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2539 -2.3126 -1.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8884 -1.3007 0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4026 0.4190 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6316 -0.2085 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6619 -1.8540 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 -1.2134 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6637 1.4579 -0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8616 0.6920 2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8336 1.4975 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 1.9758 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6338 2.7991 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 1.9402 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2039 0.2534 -2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 -3.2413 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 -2.0331 -2.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2088 -2.4931 0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.7343 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 1.4601 -2.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -1.4765 -0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -1.4214 -2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -0.4240 -1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9122 -2.4777 -1.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 12 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 7 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 5 1 0 25 8 1 0 25 11 1 0 21 15 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 5 34 1 0 7 35 1 0 9 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 23 46 1 0 26 47 1 0 27 48 1 0 28 49 1 0 29 50 1 0 M END