HMDB0060751 RDKit 3D 3'-Amino-3'-deoxythimidine glucuronide 52 54 0 0 0 0 0 0 0 0999 V2000 6.1666 0.9062 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 1.1352 0.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 0.0990 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1855 0.2293 -0.6614 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -0.8330 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 -1.9485 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 -1.9450 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3909 -0.8284 1.0118 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3093 -1.5825 -1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 -1.5761 -1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0123 -0.8099 -1.4401 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -0.8779 -0.2299 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5314 0.4122 0.5537 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4205 0.1577 1.9354 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8018 1.1998 0.3712 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5468 2.6427 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 3.0966 1.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7903 3.5017 -0.5442 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2876 0.9418 -0.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9484 -0.2903 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0522 -0.0874 0.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 -1.3718 -0.3082 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4828 -1.7669 0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -0.3592 -1.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9508 1.4488 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 1.6742 -1.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7288 2.5194 -0.8809 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7680 2.3758 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5921 3.4509 0.3006 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 1.4491 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9268 1.1551 2.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4047 -0.1977 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -0.8905 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 -1.2618 -1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5482 -1.8349 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4548 -2.9377 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 -2.8958 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7226 0.0358 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -0.9877 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 -2.3428 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -2.6742 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -1.5236 -3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0974 -1.6599 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6908 1.0524 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8382 0.8901 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5811 0.9087 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0339 4.4866 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3358 -0.5175 -1.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7977 -0.7155 -0.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0889 -2.2343 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -2.4253 1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 3.6069 -0.3118 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 9 24 1 0 4 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 28 2 1 0 24 5 1 0 22 12 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 12 43 1 1 13 44 1 6 14 45 1 0 15 46 1 1 18 47 1 0 20 48 1 0 21 49 1 0 22 50 1 6 23 51 1 0 29 52 1 0 M END