HMDB0248006 RDKit 3D Adenosine 5'-phosphorothioate 37 39 0 0 0 0 0 0 0 0999 V2000 -5.4636 2.2372 -0.5677 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4811 1.4806 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 0.7881 1.2109 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7527 -0.0325 1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 -0.1892 1.1011 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 0.4685 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 1.3132 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 1.8242 -1.6849 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 1.2940 -1.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 0.4277 -0.7781 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0935 -0.3967 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9472 -0.1769 0.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8418 -1.1536 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 -0.9517 0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1609 0.3998 0.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 1.3063 -0.0936 P 0 0 0 0 0 5 0 0 0 0 0 0 5.7846 0.6403 -0.4874 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4516 2.7724 0.7214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 1.7193 -1.7275 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -2.3603 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 -2.4576 1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 -1.8611 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0793 -2.1150 0.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6429 2.0970 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0681 2.9360 -0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0061 -0.5588 2.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7819 1.5514 -2.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3995 -0.4517 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 -0.9701 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 -1.6979 0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9638 -0.9778 -0.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 -0.0444 0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 3.5226 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 -3.2649 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 -1.6983 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -2.4001 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4015 -3.0200 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 2 0 13 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 7 2 1 0 22 11 1 0 10 6 1 0 1 24 1 0 1 25 1 0 4 26 1 0 9 27 1 0 11 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 17 32 1 0 18 33 1 0 20 34 1 0 21 35 1 0 22 36 1 0 23 37 1 0 M END