HMDB0060875 RDKit 3D Thioguanosine 5'-triphosphate 48 50 0 0 0 0 0 0 0 0999 V2000 -4.3160 3.7194 -1.3333 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 2.4738 -0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0646 2.3447 -0.4274 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5322 1.2627 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0795 1.0200 0.5424 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6313 0.2351 0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7791 -0.9646 1.1263 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 -1.4950 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6579 -0.6698 0.6421 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2806 -1.0548 0.5570 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4782 -0.2994 -0.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 -1.0729 -0.3499 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7965 -0.7629 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3597 0.4882 -0.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 0.1792 -0.2310 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8760 -1.2654 0.3752 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 1.2045 1.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 0.3283 -1.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5582 -0.2951 -0.3935 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2300 -0.3039 1.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8736 -1.8762 -0.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9105 0.6489 -0.6042 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 2.0109 0.4294 P 0 0 0 0 0 5 0 0 0 0 0 0 7.0988 1.6576 1.8618 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 3.0909 -0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 2.7839 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -2.5010 -0.5314 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2043 -3.3050 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -2.4159 -0.2049 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7397 -3.4330 0.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 0.4132 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 1.5289 -0.3662 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 4.5121 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2148 3.7409 -2.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3716 -2.4811 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8065 -1.1863 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0948 -1.0077 0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5607 -1.5050 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 -0.6051 -2.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 0.7833 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2048 -2.4109 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1068 3.0546 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3617 3.6857 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 -2.9066 -1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 -2.7669 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8465 -2.2131 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0448 -4.0250 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8648 1.6555 -0.5588 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 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 2 0 15 17 1 0 15 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 12 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 9 31 1 0 31 32 1 0 32 2 1 0 31 6 2 0 29 10 1 0 1 33 1 0 1 34 1 0 8 35 1 0 10 36 1 1 12 37 1 1 13 38 1 0 13 39 1 0 17 40 1 0 21 41 1 0 25 42 1 0 26 43 1 0 27 44 1 6 28 45 1 0 29 46 1 6 30 47 1 0 32 48 1 0 M END