HMDB0254682 RDKit 3D Metoprolol acid 40 40 0 0 0 0 0 0 0 0999 V2000 3.7243 1.9921 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7034 1.0451 0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 1.4873 1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 -0.3050 0.1448 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0641 -0.9095 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7019 -1.1405 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 -1.9843 1.0128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 -1.7790 -1.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -2.1193 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 -1.3673 -0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5138 0.0025 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 0.6389 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8327 -0.0208 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 0.6958 0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9018 1.0327 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5346 0.7091 -1.3837 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0951 1.6974 -0.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8067 -1.3909 0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -2.0622 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 2.1801 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 2.9872 -0.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 1.4998 -1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 1.1106 1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 2.2753 2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 0.6424 2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6395 1.8974 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9558 -0.3913 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8715 -0.1866 -1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 -1.8628 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -0.1893 0.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -2.7380 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3523 -2.7428 -1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 -1.1747 -2.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 0.5920 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 1.7263 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 0.0620 1.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7546 1.6205 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8472 1.5818 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7046 -1.9621 0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7105 -3.1499 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 2 0 19 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 11 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 M END