HMDB0000293 RDKit 3D Xanthosine 5-triphosphate 47 49 0 0 0 0 0 0 0 0999 V2000 -7.9252 -1.0605 -0.8791 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1302 -0.5958 0.5540 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.6278 -1.9017 1.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4329 0.5125 0.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7365 0.1348 1.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7948 0.7937 -0.0829 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9308 -0.0995 -1.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4500 2.3158 -0.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1972 0.9961 0.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 1.0181 -0.9711 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9563 0.3134 -2.0941 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 2.5991 -1.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7752 0.1667 -0.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6673 0.9823 -0.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5218 0.0731 -0.3144 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6967 0.8165 -0.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6023 -0.2084 0.1697 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8965 0.2807 0.5662 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 1.2850 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 1.4441 1.5237 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 0.5301 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4351 0.2649 0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4628 0.9756 1.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7392 -0.7355 -0.3217 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7571 -1.4694 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -2.5106 -1.7998 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -1.1902 -0.6798 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0877 -0.1919 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -0.9968 1.2627 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1841 -2.3469 1.0228 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -0.6988 0.9940 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2866 -1.8445 0.7464 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0031 -2.6603 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3144 1.1806 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8051 3.0524 -0.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0863 2.6874 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 1.5659 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4527 1.6661 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -0.6291 -1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6753 -0.8106 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 1.9053 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8453 0.7347 2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 -2.6500 -2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 -0.6841 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 -2.8822 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.0724 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3072 -2.0560 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 17 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 15 1 0 28 18 1 0 28 21 1 0 3 33 1 0 4 34 1 0 8 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 15 39 1 6 17 40 1 6 19 41 1 0 23 42 1 0 26 43 1 0 29 44 1 1 30 45 1 0 31 46 1 1 32 47 1 0 M END