HMDB0240278 RDKit 3D Gadopentetic acid 51 52 0 0 0 0 0 0 0 0999 V2000 -0.1777 4.4276 -0.1446 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 3.9365 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3075 4.8467 -2.3143 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 2.5068 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 1.7855 -0.3914 N 0 0 0 0 0 4 0 0 0 0 0 0 0.5692 2.0222 0.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2037 0.8890 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -0.1060 0.4902 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8216 0.3182 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9596 -0.5314 -1.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -0.2332 -2.3477 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1833 -1.6226 -1.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 -1.3572 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9866 -1.2819 2.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5988 -0.2448 2.4648 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3807 -2.4390 2.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 -0.2438 -0.7904 Gd 0 0 0 0 0 3 0 0 0 0 0 0 -1.7223 -0.7397 -0.0258 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.4732 -1.1521 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7586 -2.2834 -1.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 -2.7807 -1.4429 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 -2.8759 -2.9878 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6086 -1.6719 1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 -2.0890 1.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9804 -1.5172 1.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -3.1532 2.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 0.5222 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 1.6654 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 5.8299 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 2.3592 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 2.2482 -2.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3699 2.7514 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0115 2.6005 1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 0.4271 2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0823 1.3358 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 1.3612 -0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7503 0.2115 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6053 -2.5458 -2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1238 -2.1907 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 -1.6795 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2319 -2.8615 2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4839 -1.4687 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -0.3154 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1437 -3.4251 -2.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0391 -2.5867 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1733 -1.1039 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0968 -2.9170 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2478 0.5500 0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 0.5858 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 2.5860 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.6504 -1.2756 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 8 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 8 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 18 27 1 0 27 28 1 0 17 5 1 0 28 5 1 0 3 29 1 0 4 30 1 0 4 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 16 41 1 0 19 42 1 0 19 43 1 0 22 44 1 0 23 45 1 0 23 46 1 0 26 47 1 0 27 48 1 0 27 49 1 0 28 50 1 0 28 51 1 0 M CHG 3 5 1 8 1 18 1 M END