HMDB0060473 RDKit 3D Diphthamide 45 45 0 0 0 0 0 0 0 0999 V2000 -3.2350 -1.7290 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5928 -0.4249 -0.5805 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2013 -0.5869 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 0.0135 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5655 0.5647 -0.6403 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1648 0.1392 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7568 -0.5193 0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7101 -0.8290 0.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2549 -1.9522 0.1645 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 -1.8587 0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.6418 0.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2797 -0.1360 0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7573 0.6184 -0.2796 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7253 -0.3456 -1.3793 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 1.0298 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1069 0.5760 -0.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 1.9539 0.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7342 -0.0338 1.0064 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 1.7864 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8932 2.9823 -0.4065 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 1.8388 1.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 -2.1834 -1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.4413 -0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3855 -1.7621 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7841 0.3042 1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5325 -0.9968 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9837 -1.3915 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 -0.8873 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2878 0.7795 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3299 0.4374 -2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 0.9217 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 1.0930 -0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -0.4370 -1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 0.1929 1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2303 -1.4786 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2506 -2.6527 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3368 0.5597 1.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 -0.9923 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1412 1.4973 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8973 0.1543 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4203 -1.0848 -1.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0263 2.7925 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6929 0.9267 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 3.0144 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 1.1883 2.2111 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 11 18 1 0 5 19 1 0 19 20 2 3 19 21 1 0 18 8 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 6 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 10 36 1 0 12 37 1 0 12 38 1 0 13 39 1 6 14 40 1 0 14 41 1 0 17 42 1 0 18 43 1 0 20 44 1 0 21 45 1 0 M CHG 1 2 1 M END