HMDB0257369 RDKit 3D L-Pyroglutamyl-L-histidyl-3,3-dimethylprolinamide 54 56 0 0 0 0 0 0 0 0999 V2000 -5.3179 -0.8917 -0.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 -1.1780 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 -2.2526 1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -1.5912 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -0.6092 -1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8175 -0.0278 -0.0794 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5277 0.3227 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4104 0.7841 1.5334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6814 0.1680 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9554 1.3915 -1.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 2.6020 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 3.0602 -0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 4.1931 0.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 4.4754 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2862 3.5038 -0.0899 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8576 -0.0180 0.4106 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6207 -1.2242 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 -2.0818 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8268 -1.4726 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -0.4348 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 -1.2013 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 -2.5942 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -3.4014 -0.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 -2.7390 0.6991 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 0.0750 0.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9157 1.2109 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 2.0530 -0.9256 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 1.4435 0.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4932 -0.1335 -0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7407 -1.8812 -0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8909 -0.6978 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -2.9034 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 -2.9256 1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 -1.8610 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 -1.6063 -1.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8752 -2.6278 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3445 0.1381 -2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -1.2351 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5786 -0.7100 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 1.1825 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 1.5077 -2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 2.5545 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 5.3553 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7419 3.5113 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 0.7216 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 -1.4444 2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 0.1421 -0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 0.2076 1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7943 -0.8223 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 -1.2093 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 -3.6572 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0027 0.1008 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9188 2.8103 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 1.9174 -1.8605 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 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 9 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 6 25 1 0 25 26 1 0 26 27 1 0 26 28 2 0 25 2 1 0 15 11 1 0 24 19 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 12 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 21 49 1 0 21 50 1 0 24 51 1 0 25 52 1 0 27 53 1 0 27 54 1 0 M END