HMDB0256991 RDKit 3D Pyroglutamyl-phenylalanyl-prolinamide 51 53 0 0 0 0 0 0 0 0999 V2000 -4.6886 -1.0834 1.9108 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4301 -0.5567 1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7773 0.1867 2.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 -0.9278 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 -0.6701 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1577 -0.3125 -2.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9991 0.4849 -1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7415 -0.2691 -0.2791 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -0.3697 0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4443 -1.0872 1.4315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7741 0.2524 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8794 1.6657 0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1556 2.5980 0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 3.2582 -1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0178 4.1712 -1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 4.4616 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2057 3.8222 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 2.9156 0.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.4468 0.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 -0.9469 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 -0.8173 -1.4629 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0761 -1.6370 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6737 -2.9929 0.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -3.6008 1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 -3.1009 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -3.5616 -0.3704 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0459 -2.0672 -0.6261 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7347 -1.9026 2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5841 -0.6436 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7095 -2.0351 0.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6037 -1.5692 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6559 0.1814 -0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 0.3207 -2.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8057 -1.2464 -2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 0.4114 -2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 1.5054 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 0.2136 -1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 1.5372 1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9058 2.0080 0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 3.0420 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 4.6731 -2.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8322 5.1943 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 4.0742 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 2.4303 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8569 -0.5147 1.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6025 -1.0613 1.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 -2.9666 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 -3.5342 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 -3.0831 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0361 -4.6934 1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1635 -1.7102 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 8 4 1 0 18 13 1 0 27 22 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 27 51 1 0 M END