HMDB0041935 RDKit 3D Moprolol 38 38 0 0 0 0 0 0 0 0999 V2000 3.4125 -2.5887 2.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6133 -1.8345 1.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -0.7257 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -0.3177 0.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9941 0.7886 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2226 1.5139 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9296 1.1203 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 0.0231 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 -0.3834 -0.5896 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -0.2582 -1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8328 0.9670 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 2.0980 -1.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 1.0158 -1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 -0.1190 -1.0386 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 -0.1829 0.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 0.9638 0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1925 -1.4565 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 -3.3252 2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -1.8927 2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -3.0321 1.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 -0.9151 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0068 1.0968 0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6274 2.3774 -1.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 1.7144 -1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 -0.3503 -2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 -1.1236 -0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8586 0.9811 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7646 2.8738 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6911 1.9505 -1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 1.0304 -2.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 -0.0693 -1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 -0.2501 1.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 0.6845 1.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1203 1.1474 0.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6668 1.8995 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5482 -1.8943 -0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0848 -1.2917 1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5915 -2.2351 1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 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 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 8 3 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 16 34 1 0 16 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 M END