ELG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C14 | sing | 1.51Å | 1.40Å | |
| C14 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | N1 | sing | 1.40Å | 1.35Å | |
| N1 | C7 | sing | 1.35Å | 1.36Å | |
| O | C7 | doub | 1.21Å | 1.23Å | |
| C7 | C6 | sing | 1.51Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| O32 | C3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| O2 | C30 | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.46Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.55Å | |
| C30 | N | sing | 1.35Å | 1.35Å | |
| C30 | C19 | sing | 1.51Å | 1.53Å | |
| C | OC1 | sing | 1.43Å | 1.44Å | |
| OC1 | CG1 | sing | 1.43Å | 1.45Å | |
| OG3 | CG2 | sing | 1.43Å | 1.43Å | |
| CG1 | CG2 | sing | 1.53Å | 1.55Å | |
| CG1 | OG | sing | 1.43Å | 1.46Å | |
| CG2 | CG3 | sing | 1.53Å | 1.55Å | |
| OG | CG | sing | 1.43Å | 1.47Å | |
| CG3 | CG4 | sing | 1.53Å | 1.55Å | |
| CG3 | OG4 | sing | 1.43Å | 1.43Å | |
| CG | CG4 | sing | 1.53Å | 1.56Å | |
| CG | CG5 | sing | 1.53Å | 1.53Å | |
| OG6 | CG5 | sing | 1.43Å | 1.43Å | |
| CG4 | OG5 | sing | 1.43Å | 1.44Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| CG1 | H20 | sing | 1.09Å | 1.10Å | |
| CG | H21 | sing | 1.09Å | 1.10Å | |
| CG5 | H22 | sing | 1.09Å | 1.10Å | |
| CG5 | H23 | sing | 1.09Å | 1.10Å | |
| OG6 | H24 | sing | 0.97Å | 0.95Å | |
| CG4 | H25 | sing | 1.09Å | 1.10Å | |
| OG5 | H26 | sing | 0.97Å | 0.95Å | |
| CG3 | H27 | sing | 1.09Å | 1.10Å | |
| OG4 | H28 | sing | 0.97Å | 0.95Å | |
| CG2 | H29 | sing | 1.09Å | 1.10Å | |
| OG3 | H30 | sing | 0.97Å | 0.95Å | |
| C2 | H31 | sing | 1.09Å | 1.10Å | |
| O1 | H32 | sing | 0.97Å | 0.95Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| O32 | H34 | sing | 0.97Å | 0.95Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C5 | H37 | sing | 1.09Å | 1.10Å | |
| C5 | H38 | sing | 1.09Å | 1.10Å | |
| C6 | H39 | sing | 1.09Å | 1.10Å | |
| C6 | H40 | sing | 1.09Å | 1.10Å | |
| N1 | H41 | sing | 0.97Å | 1.00Å | |
| C13 | H42 | sing | 1.08Å | 1.08Å | |
| C17 | H43 | sing | 1.08Å | 1.08Å | |
| C16 | H44 | sing | 1.08Å | 1.08Å | |
| C15 | H45 | sing | 1.08Å | 1.08Å | |
| C8 | H46 | sing | 1.09Å | 1.10Å | |
| C8 | H47 | sing | 1.09Å | 1.10Å | |
| C9 | H48 | sing | 1.09Å | 1.10Å | |
| C9 | H49 | sing | 1.09Å | 1.10Å | |
| C10 | H50 | sing | 1.09Å | 1.10Å | |
| C10 | H51 | sing | 1.09Å | 1.10Å | |
| C11 | H52 | sing | 1.09Å | 1.10Å | |
| C11 | H53 | sing | 1.09Å | 1.10Å | |
| C12 | H54 | sing | 1.09Å | 1.10Å | |
| C12 | H55 | sing | 1.09Å | 1.10Å | |
| C12 | H56 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 109.8° | 109.4° |
| C12 | C11 | H52 | 109.4° | 109.4° |
| C12 | C11 | H53 | 109.4° | 109.5° |
| C11 | C12 | H54 | 109.5° | 109.5° |
| C11 | C12 | H55 | 109.5° | 109.5° |
| C11 | C12 | H56 | 109.5° | 109.4° |
| C11 | C10 | C9 | 109.9° | 109.4° |
| C11 | C10 | H50 | 109.3° | 109.5° |
| C11 | C10 | H51 | 109.4° | 109.5° |
| C10 | C11 | H52 | 109.4° | 109.5° |
| C10 | C11 | H53 | 109.4° | 109.5° |
| C10 | C9 | C8 | 111.2° | 109.5° |
| C10 | C9 | H48 | 109.0° | 109.4° |
| C10 | C9 | H49 | 109.0° | 109.5° |
| C9 | C10 | H50 | 109.4° | 109.5° |
| C9 | C10 | H51 | 109.4° | 109.5° |
| C9 | C8 | C14 | 113.6° | 109.5° |
| C9 | C8 | H46 | 108.4° | 109.5° |
| C9 | C8 | H47 | 108.4° | 109.5° |
| C8 | C9 | H48 | 109.0° | 109.5° |
| C8 | C9 | H49 | 109.0° | 109.5° |
| C8 | C14 | C15 | 120.8° | 120.0° |
| C8 | C14 | C13 | 119.2° | 120.0° |
| C14 | C8 | H46 | 108.4° | 109.4° |
| C14 | C8 | H47 | 108.4° | 109.5° |
| C15 | C14 | C13 | 120.0° | 120.1° |
| C14 | C15 | C16 | 120.8° | 120.2° |
| C14 | C15 | H45 | 119.6° | 119.9° |
| C14 | C13 | C18 | 119.5° | 119.9° |
| C14 | C13 | H42 | 120.2° | 120.1° |
| C15 | C16 | C17 | 118.7° | 120.0° |
| C15 | C16 | H44 | 120.7° | 120.0° |
| C16 | C15 | H45 | 119.6° | 119.9° |
| C13 | C18 | C17 | 119.0° | 119.9° |
| C13 | C18 | N1 | 126.5° | 120.1° |
| C18 | C13 | H42 | 120.3° | 120.0° |
| C16 | C17 | C18 | 122.0° | 119.9° |
| C16 | C17 | H43 | 119.0° | 120.0° |
| C17 | C16 | H44 | 120.6° | 120.0° |
| C17 | C18 | N1 | 114.5° | 120.0° |
| C18 | C17 | H43 | 119.0° | 120.1° |
| C18 | N1 | C7 | 126.0° | 120.0° |
| C18 | N1 | H41 | 117.0° | 120.0° |
| N1 | C7 | O | 126.8° | 120.0° |
| N1 | C7 | C6 | 113.8° | 120.0° |
| C7 | N1 | H41 | 117.0° | 120.0° |
| O | C7 | C6 | 119.4° | 120.0° |
| C7 | C6 | C5 | 111.6° | 109.5° |
| C7 | C6 | H39 | 108.9° | 109.5° |
| C7 | C6 | H40 | 108.9° | 109.4° |
| C25 | C24 | C23 | 109.7° | 109.4° |
| C24 | C25 | H4 | 109.5° | 109.5° |
| C24 | C25 | H5 | 109.4° | 109.4° |
| C24 | C25 | H6 | 109.5° | 109.4° |
| C25 | C24 | H7 | 109.4° | 109.5° |
| C25 | C24 | H8 | 109.4° | 109.4° |
| C6 | C5 | C4 | 111.1° | 109.5° |
| C6 | C5 | H37 | 109.1° | 109.5° |
| C6 | C5 | H38 | 109.1° | 109.5° |
| C5 | C6 | H39 | 108.9° | 109.5° |
| C5 | C6 | H40 | 108.9° | 109.5° |
| C5 | C4 | C3 | 110.9° | 109.5° |
| C5 | C4 | H35 | 109.1° | 109.4° |
| C5 | C4 | H36 | 109.1° | 109.5° |
| C4 | C5 | H37 | 109.0° | 109.4° |
| C4 | C5 | H38 | 109.0° | 109.5° |
| C24 | C23 | C22 | 109.4° | 109.5° |
| C23 | C24 | H7 | 109.4° | 109.5° |
| C23 | C24 | H8 | 109.4° | 109.5° |
| C24 | C23 | H9 | 109.5° | 109.5° |
| C24 | C23 | H10 | 109.5° | 109.5° |
| C23 | C22 | C21 | 110.9° | 109.5° |
| C22 | C23 | H9 | 109.5° | 109.5° |
| C22 | C23 | H10 | 109.5° | 109.5° |
| C23 | C22 | H11 | 109.1° | 109.5° |
| C23 | C22 | H12 | 109.1° | 109.5° |
| C4 | C3 | O32 | 110.4° | 109.5° |
| C4 | C3 | C2 | 113.6° | 109.5° |
| C4 | C3 | H33 | 107.5° | 109.5° |
| C3 | C4 | H35 | 109.1° | 109.5° |
| C3 | C4 | H36 | 109.1° | 109.5° |
| O32 | C3 | C2 | 108.9° | 109.4° |
| O32 | C3 | H33 | 108.9° | 109.4° |
| C3 | O32 | H34 | 109.5° | 114.0° |
| C3 | C2 | O1 | 110.3° | 109.4° |
| C3 | C2 | C1 | 115.4° | 109.5° |
| C3 | C2 | H31 | 106.7° | 109.5° |
| C2 | C3 | H33 | 107.4° | 109.5° |
| C22 | C21 | C20 | 108.6° | 109.4° |
| C21 | C22 | H11 | 109.1° | 109.5° |
| C21 | C22 | H12 | 109.1° | 109.5° |
| C22 | C21 | H13 | 109.7° | 109.4° |
| C22 | C21 | H14 | 109.7° | 109.5° |
| O1 | C2 | C1 | 109.4° | 109.4° |
| O1 | C2 | H31 | 108.1° | 109.4° |
| C2 | O1 | H32 | 109.5° | 114.0° |
| C21 | C20 | C19 | 110.1° | 109.4° |
| C20 | C21 | H13 | 109.7° | 109.4° |
| C20 | C21 | H14 | 109.7° | 109.5° |
| C21 | C20 | H15 | 109.3° | 109.4° |
| C21 | C20 | H16 | 109.3° | 109.5° |
| C20 | C19 | C30 | 109.3° | 109.5° |
| C19 | C20 | H15 | 109.3° | 109.4° |
| C19 | C20 | H16 | 109.3° | 109.5° |
| C20 | C19 | H17 | 109.5° | 109.5° |
| C20 | C19 | H18 | 109.5° | 109.5° |
| C2 | C1 | N | 112.8° | 109.4° |
| C2 | C1 | C | 110.5° | 109.4° |
| C2 | C1 | H19 | 107.6° | 109.4° |
| C1 | C2 | H31 | 106.6° | 109.5° |
| O2 | C30 | N | 124.4° | 120.0° |
| O2 | C30 | C19 | 120.3° | 120.0° |
| N | C1 | C | 109.4° | 109.5° |
| C1 | N | C30 | 123.0° | 120.0° |
| C1 | N | H1 | 118.5° | 120.1° |
| N | C1 | H19 | 108.6° | 109.5° |
| C1 | C | OC1 | 109.0° | 109.5° |
| C1 | C | H2 | 109.6° | 109.5° |
| C1 | C | H3 | 109.6° | 109.4° |
| C | C1 | H19 | 107.8° | 109.5° |
| N | C30 | C19 | 115.3° | 120.0° |
| C30 | N | H1 | 118.5° | 120.0° |
| C30 | C19 | H17 | 109.5° | 109.5° |
| C30 | C19 | H18 | 109.5° | 109.4° |
| C | OC1 | CG1 | 116.8° | 114.0° |
| OC1 | C | H2 | 109.6° | 109.5° |
| OC1 | C | H3 | 109.6° | 109.5° |
| OC1 | CG1 | CG2 | 109.1° | 109.5° |
| OC1 | CG1 | OG | 113.3° | 109.5° |
| OC1 | CG1 | H20 | 108.8° | 109.5° |
| OG3 | CG2 | CG1 | 109.8° | 109.5° |
| OG3 | CG2 | CG3 | 108.6° | 109.5° |
| OG3 | CG2 | H29 | 110.0° | 109.6° |
| CG2 | OG3 | H30 | 109.5° | 114.1° |
| CG2 | CG1 | OG | 109.4° | 109.4° |
| CG1 | CG2 | CG3 | 111.5° | 109.2° |
| CG2 | CG1 | H20 | 107.5° | 109.5° |
| CG1 | CG2 | H29 | 108.4° | 109.5° |
| CG1 | OG | CG | 114.8° | 114.1° |
| OG | CG1 | H20 | 108.6° | 109.5° |
| CG2 | CG3 | CG4 | 113.6° | 109.1° |
| CG2 | CG3 | OG4 | 109.4° | 109.5° |
| CG2 | CG3 | H27 | 107.5° | 109.7° |
| CG3 | CG2 | H29 | 108.4° | 109.5° |
| OG | CG | CG4 | 110.9° | 109.4° |
| OG | CG | CG5 | 110.7° | 109.5° |
| OG | CG | H21 | 108.2° | 109.5° |
| CG4 | CG3 | OG4 | 109.9° | 109.5° |
| CG3 | CG4 | CG | 109.9° | 109.2° |
| CG3 | CG4 | OG5 | 110.2° | 109.5° |
| CG3 | CG4 | H25 | 107.6° | 109.6° |
| CG4 | CG3 | H27 | 107.4° | 109.5° |
| OG4 | CG3 | H27 | 108.9° | 109.6° |
| CG3 | OG4 | H28 | 109.5° | 114.0° |
| CG4 | CG | CG5 | 112.0° | 109.5° |
| CG | CG4 | OG5 | 112.5° | 109.5° |
| CG4 | CG | H21 | 107.2° | 109.5° |
| CG | CG4 | H25 | 107.6° | 109.5° |
| CG | CG5 | OG6 | 109.0° | 109.5° |
| CG5 | CG | H21 | 107.5° | 109.5° |
| CG | CG5 | H22 | 109.6° | 109.5° |
| CG | CG5 | H23 | 109.6° | 109.5° |
| OG6 | CG5 | H22 | 109.6° | 109.5° |
| OG6 | CG5 | H23 | 109.6° | 109.5° |
| CG5 | OG6 | H24 | 109.5° | 114.0° |
| OG5 | CG4 | H25 | 109.0° | 109.5° |
| CG4 | OG5 | H26 | 109.5° | 114.0° |
| H2 | C | H3 | 109.5° | 109.4° |
| H4 | C25 | H5 | 109.4° | 109.5° |
| H4 | C25 | H6 | 109.5° | 109.5° |
| H5 | C25 | H6 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H22 | CG5 | H23 | 109.5° | 109.4° |
| H35 | C4 | H36 | 109.5° | 109.5° |
| H37 | C5 | H38 | 109.5° | 109.5° |
| H39 | C6 | H40 | 109.5° | 109.5° |
| H46 | C8 | H47 | 109.5° | 109.5° |
| H48 | C9 | H49 | 109.5° | 109.5° |
| H50 | C10 | H51 | 109.5° | 109.5° |
| H52 | C11 | H53 | 109.5° | 109.5° |
| H54 | C12 | H55 | 109.5° | 109.5° |
| H54 | C12 | H56 | 109.4° | 109.4° |
| H55 | C12 | H56 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H52 | 120.1° | 119.9° |
| C12 | C11 | C10 | H53 | 120.0° | 120.0° |
| C12 | C11 | C10 | C9 | 114.4° | 180.0° |
| C12 | C11 | C10 | H50 | 5.6° | 60.0° |
| C12 | C11 | C10 | H51 | 125.5° | 60.0° |
| C12 | C11 | H52 | H53 | 119.8° | 120.0° |
| C11 | C12 | H54 | H55 | 120.0° | 120.0° |
| C11 | C12 | H54 | H56 | 120.0° | 120.0° |
| C11 | C12 | H55 | H56 | 120.0° | 120.0° |
| C11 | C10 | C9 | H50 | 120.1° | 120.0° |
| C11 | C10 | C9 | H51 | 120.1° | 120.0° |
| C11 | C10 | C9 | C8 | 178.6° | 180.0° |
| C11 | C10 | C9 | H48 | 61.2° | 60.0° |
| C11 | C10 | C9 | H49 | 58.3° | 60.0° |
| C11 | C10 | H50 | H51 | 119.8° | 120.0° |
| C10 | C11 | H52 | H53 | 119.9° | 120.0° |
| C10 | C11 | C12 | H54 | 180.0° | 60.0° |
| C10 | C11 | C12 | H55 | 60.0° | 60.0° |
| C10 | C11 | C12 | H56 | 60.0° | 180.0° |
| C10 | C9 | C8 | H48 | 120.3° | 120.0° |
| C10 | C9 | C8 | H49 | 120.3° | 120.0° |
| C10 | C9 | C8 | C14 | 81.9° | 180.0° |
| C10 | C9 | C8 | H46 | 38.7° | 60.0° |
| C10 | C9 | C8 | H47 | 157.5° | 60.0° |
| C10 | C9 | H48 | H49 | 119.2° | 120.0° |
| C9 | C10 | H50 | H51 | 119.8° | 120.0° |
| C9 | C10 | C11 | H52 | 125.5° | 60.1° |
| C9 | C10 | C11 | H53 | 5.6° | 60.0° |
| C9 | C8 | C14 | H46 | 120.6° | 120.0° |
| C9 | C8 | C14 | H47 | 120.6° | 120.0° |
| C9 | C8 | C14 | C15 | 32.7° | 90.0° |
| C9 | C8 | C14 | C13 | 147.6° | 89.1° |
| C9 | C8 | H46 | H47 | 118.1° | 120.0° |
| C8 | C9 | H48 | H49 | 119.2° | 120.0° |
| C8 | C9 | C10 | H50 | 58.5° | 60.0° |
| C8 | C9 | C10 | H51 | 61.4° | 60.0° |
| C8 | C14 | C15 | C13 | 179.7° | 179.1° |
| C8 | C14 | C15 | C16 | 179.8° | 180.0° |
| C8 | C14 | C13 | C18 | 179.7° | 179.7° |
| C8 | C14 | C13 | H42 | 0.3° | 0.3° |
| C8 | C14 | C15 | H45 | 0.2° | 0.7° |
| C14 | C8 | H46 | H47 | 118.1° | 120.0° |
| C14 | C8 | C9 | H48 | 157.8° | 60.1° |
| C14 | C8 | C9 | H49 | 38.3° | 60.0° |
| C14 | C15 | C16 | H45 | 180.0° | 179.4° |
| C15 | C14 | C13 | C18 | 0.0° | 0.6° |
| C14 | C15 | C16 | C17 | 0.4° | 0.6° |
| C15 | C14 | C13 | H42 | 180.0° | 179.4° |
| C14 | C15 | C16 | H44 | 179.6° | 179.5° |
| C15 | C14 | C8 | H46 | 153.3° | 150.0° |
| C15 | C14 | C8 | H47 | 87.9° | 30.1° |
| C13 | C14 | C15 | C16 | 0.5° | 0.9° |
| C14 | C13 | C18 | H42 | 180.0° | 180.0° |
| C14 | C13 | C18 | C17 | 0.5° | 0.0° |
| C14 | C13 | C18 | N1 | 179.8° | 179.7° |
| C13 | C14 | C15 | H45 | 179.5° | 179.8° |
| C13 | C14 | C8 | H46 | 27.0° | 30.9° |
| C13 | C14 | C8 | H47 | 91.8° | 150.8° |
| C15 | C16 | C17 | H44 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H43 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.5° | 0.3° |
| C13 | C18 | C17 | N1 | 179.4° | 179.7° |
| C13 | C18 | N1 | C7 | 35.6° | 144.5° |
| C13 | C18 | N1 | H41 | 144.4° | 35.4° |
| C13 | C18 | C17 | H43 | 179.5° | 179.7° |
| C16 | C17 | C18 | H43 | 180.0° | 180.0° |
| C16 | C17 | C18 | N1 | 179.9° | 180.0° |
| C17 | C16 | C15 | H45 | 179.6° | 179.9° |
| C17 | C18 | N1 | C7 | 145.0° | 35.2° |
| C17 | C18 | N1 | H41 | 35.0° | 144.8° |
| C17 | C18 | C13 | H42 | 179.5° | 180.0° |
| C18 | C17 | C16 | H44 | 179.9° | 180.0° |
| C18 | N1 | C7 | H41 | 180.0° | 179.9° |
| C18 | N1 | C7 | O | 8.1° | 4.7° |
| C18 | N1 | C7 | C6 | 175.3° | 175.3° |
| N1 | C18 | C13 | H42 | 0.2° | 0.3° |
| N1 | C18 | C17 | H43 | 0.1° | 0.0° |
| N1 | C7 | O | C6 | 176.4° | 180.0° |
| N1 | C7 | C6 | C5 | 27.9° | 180.0° |
| N1 | C7 | C6 | H39 | 92.4° | 60.0° |
| N1 | C7 | C6 | H40 | 148.2° | 60.0° |
| O | C7 | C6 | C5 | 155.2° | 0.0° |
| O | C7 | C6 | H39 | 84.5° | 120.0° |
| O | C7 | C6 | H40 | 34.9° | 120.0° |
| O | C7 | N1 | H41 | 171.9° | 175.4° |
| C7 | C6 | C5 | H39 | 120.3° | 120.0° |
| C7 | C6 | C5 | H40 | 120.3° | 120.0° |
| C7 | C6 | C5 | C4 | 162.1° | 180.0° |
| C7 | C6 | C5 | H37 | 41.8° | 60.0° |
| C7 | C6 | C5 | H38 | 77.7° | 60.0° |
| C7 | C6 | H39 | H40 | 119.0° | 120.0° |
| C6 | C7 | N1 | H41 | 4.7° | 4.6° |
| C25 | C24 | C23 | H7 | 120.0° | 120.0° |
| C25 | C24 | C23 | H8 | 120.0° | 120.0° |
| C25 | C24 | C23 | C22 | 156.5° | 180.0° |
| C24 | C25 | H4 | H5 | 120.0° | 120.0° |
| C24 | C25 | H4 | H6 | 120.0° | 120.0° |
| C24 | C25 | H5 | H6 | 120.0° | 119.9° |
| C25 | C24 | H7 | H8 | 119.9° | 120.0° |
| C25 | C24 | C23 | H9 | 83.5° | 60.0° |
| C25 | C24 | C23 | H10 | 36.5° | 60.0° |
| C6 | C5 | C4 | H37 | 120.3° | 120.0° |
| C6 | C5 | C4 | H38 | 120.2° | 120.0° |
| C6 | C5 | C4 | C3 | 117.8° | 180.0° |
| C6 | C5 | C4 | H35 | 122.0° | 60.0° |
| C6 | C5 | C4 | H36 | 2.4° | 60.0° |
| C6 | C5 | H37 | H38 | 119.3° | 120.1° |
| C5 | C6 | H39 | H40 | 119.1° | 120.1° |
| C5 | C4 | C3 | H35 | 120.2° | 120.0° |
| C5 | C4 | C3 | H36 | 120.2° | 120.0° |
| C5 | C4 | C3 | O32 | 31.7° | 65.0° |
| C5 | C4 | C3 | C2 | 154.4° | 175.0° |
| C5 | C4 | C3 | H33 | 87.0° | 55.0° |
| C5 | C4 | H35 | H36 | 119.3° | 120.0° |
| C4 | C5 | H37 | H38 | 119.2° | 120.0° |
| C4 | C5 | C6 | H39 | 77.7° | 60.0° |
| C4 | C5 | C6 | H40 | 41.8° | 60.0° |
| C24 | C23 | C22 | H9 | 120.0° | 120.0° |
| C24 | C23 | C22 | H10 | 120.0° | 120.0° |
| C24 | C23 | C22 | C21 | 146.3° | 180.0° |
| C23 | C24 | C25 | H4 | 180.0° | 60.0° |
| C23 | C24 | C25 | H5 | 60.0° | 180.0° |
| C23 | C24 | C25 | H6 | 60.0° | 60.1° |
| C23 | C24 | H7 | H8 | 119.9° | 120.0° |
| C24 | C23 | H9 | H10 | 120.0° | 120.0° |
| C24 | C23 | C22 | H11 | 93.5° | 60.0° |
| C24 | C23 | C22 | H12 | 26.1° | 60.0° |
| C23 | C22 | C21 | H11 | 120.2° | 120.0° |
| C23 | C22 | C21 | H12 | 120.2° | 120.0° |
| C23 | C22 | C21 | C20 | 115.3° | 180.0° |
| C22 | C23 | C24 | H7 | 36.4° | 60.0° |
| C22 | C23 | C24 | H8 | 83.5° | 60.0° |
| C22 | C23 | H9 | H10 | 120.0° | 120.0° |
| C23 | C22 | H11 | H12 | 119.4° | 120.0° |
| C23 | C22 | C21 | H13 | 4.5° | 60.0° |
| C23 | C22 | C21 | H14 | 124.8° | 60.0° |
| C4 | C3 | O32 | C2 | 125.4° | 120.0° |
| C4 | C3 | O32 | H33 | 117.8° | 120.0° |
| C4 | C3 | C2 | H33 | 118.7° | 120.1° |
| C4 | C3 | C2 | O1 | 65.1° | 60.0° |
| C4 | C3 | C2 | C1 | 59.5° | 180.0° |
| C4 | C3 | C2 | H31 | 177.7° | 59.9° |
| C4 | C3 | O32 | H34 | 180.0° | 59.9° |
| C3 | C4 | H35 | H36 | 119.4° | 120.0° |
| C3 | C4 | C5 | H37 | 2.4° | 60.0° |
| C3 | C4 | C5 | H38 | 122.0° | 60.0° |
| O32 | C3 | C2 | H33 | 117.7° | 120.0° |
| O32 | C3 | C2 | O1 | 58.4° | 180.0° |
| O32 | C3 | C2 | C1 | 177.0° | 60.0° |
| O32 | C3 | C2 | H31 | 58.8° | 60.0° |
| O32 | C3 | C4 | H35 | 88.5° | 175.0° |
| O32 | C3 | C4 | H36 | 151.9° | 55.0° |
| C3 | C2 | O1 | C1 | 127.9° | 120.0° |
| C3 | C2 | O1 | H31 | 116.3° | 120.0° |
| C3 | C2 | C1 | H31 | 118.2° | 120.1° |
| C3 | C2 | C1 | N | 46.6° | 65.5° |
| C3 | C2 | C1 | C | 169.4° | 174.5° |
| C3 | C2 | C1 | H19 | 73.2° | 54.5° |
| C3 | C2 | O1 | H32 | 180.0° | 65.0° |
| C2 | C3 | O32 | H34 | 54.6° | 60.0° |
| C2 | C3 | C4 | H35 | 34.2° | 55.1° |
| C2 | C3 | C4 | H36 | 85.4° | 64.9° |
| C22 | C21 | C20 | H13 | 119.9° | 119.9° |
| C22 | C21 | C20 | H14 | 119.8° | 120.0° |
| C22 | C21 | C20 | C19 | 153.9° | NaN° |
| C21 | C22 | C23 | H9 | 26.3° | 60.0° |
| C21 | C22 | C23 | H10 | 93.7° | 60.0° |
| C21 | C22 | H11 | H12 | 119.4° | 120.0° |
| C22 | C21 | H13 | H14 | 120.4° | 120.0° |
| C22 | C21 | C20 | H15 | 33.8° | 60.1° |
| C22 | C21 | C20 | H16 | 86.0° | 60.0° |
| O1 | C2 | C1 | H31 | 116.7° | 120.0° |
| O1 | C2 | C1 | N | 171.6° | 174.5° |
| O1 | C2 | C1 | C | 65.6° | 54.5° |
| O1 | C2 | C1 | H19 | 51.9° | 65.5° |
| O1 | C2 | C3 | H33 | 176.2° | 60.0° |
| C21 | C20 | C19 | H15 | 120.1° | 119.9° |
| C21 | C20 | C19 | H16 | 120.1° | 120.0° |
| C21 | C20 | C19 | C30 | 115.9° | 180.0° |
| C20 | C21 | C22 | H11 | 124.4° | 60.1° |
| C20 | C21 | C22 | H12 | 4.8° | 60.0° |
| C20 | C21 | H13 | H14 | 120.4° | 120.1° |
| C21 | C20 | H15 | H16 | 119.7° | 120.0° |
| C21 | C20 | C19 | H17 | 4.1° | 60.1° |
| C21 | C20 | C19 | H18 | 124.1° | 60.0° |
| C20 | C19 | C30 | O2 | 79.0° | 0.0° |
| C20 | C19 | C30 | N | 101.2° | 180.0° |
| C20 | C19 | C30 | H17 | 120.0° | 120.0° |
| C20 | C19 | C30 | H18 | 120.0° | 120.0° |
| C19 | C20 | C21 | H13 | 86.2° | 60.1° |
| C19 | C20 | C21 | H14 | 34.1° | 60.0° |
| C19 | C20 | H15 | H16 | 119.7° | 120.0° |
| C20 | C19 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | N | C | 123.4° | 120.0° |
| C2 | C1 | N | H19 | 119.2° | 119.9° |
| C2 | C1 | C | H19 | 117.4° | 120.0° |
| C2 | C1 | N | C30 | 141.9° | 155.3° |
| C2 | C1 | C | OC1 | 60.9° | 55.6° |
| C2 | C1 | N | H1 | 38.1° | 25.0° |
| C2 | C1 | C | H2 | 59.0° | 64.4° |
| C2 | C1 | C | H3 | 179.2° | 175.6° |
| C1 | C2 | O1 | H32 | 52.1° | 55.0° |
| C1 | C2 | C3 | H33 | 59.2° | 59.9° |
| O2 | C30 | N | C1 | 0.3° | 0.3° |
| O2 | C30 | N | C19 | 179.7° | 180.0° |
| O2 | C30 | N | H1 | 179.7° | 180.0° |
| O2 | C30 | C19 | H17 | 41.0° | 120.0° |
| O2 | C30 | C19 | H18 | 161.0° | 120.0° |
| N | C1 | C | H19 | 117.9° | 120.1° |
| C1 | N | C30 | H1 | 180.0° | 179.7° |
| C1 | N | C30 | C19 | 179.5° | 179.7° |
| N | C1 | C | OC1 | 63.9° | 64.3° |
| N | C1 | C | H2 | 176.2° | 175.6° |
| N | C1 | C | H3 | 56.0° | 55.7° |
| N | C1 | C2 | H31 | 71.6° | 54.6° |
| C | C1 | N | C30 | 94.7° | 84.8° |
| C1 | C | OC1 | H2 | 119.9° | 120.1° |
| C1 | C | OC1 | H3 | 119.9° | 119.9° |
| C1 | C | OC1 | CG1 | 173.2° | 180.0° |
| C | C1 | N | H1 | 85.3° | 94.9° |
| C1 | C | H2 | H3 | 120.2° | 119.9° |
| C | C1 | C2 | H31 | 51.2° | 65.4° |
| N | C30 | C19 | H17 | 138.8° | 60.0° |
| N | C30 | C19 | H18 | 18.7° | 60.0° |
| C30 | N | C1 | H19 | 22.7° | 35.3° |
| C19 | C30 | N | H1 | 0.5° | 0.0° |
| C30 | C19 | C20 | H15 | 124.0° | 60.0° |
| C30 | C19 | C20 | H16 | 4.2° | 60.0° |
| C30 | C19 | H17 | H18 | 120.1° | 120.0° |
| C | OC1 | CG1 | CG2 | 165.8° | 170.0° |
| C | OC1 | CG1 | OG | 72.0° | 70.1° |
| OC1 | C | H2 | H3 | 120.2° | 120.0° |
| OC1 | C | C1 | H19 | 178.2° | 175.6° |
| C | OC1 | CG1 | H20 | 48.8° | 49.9° |
| OC1 | CG1 | CG2 | OG3 | 48.9° | 57.6° |
| OC1 | CG1 | CG2 | OG | 124.5° | 120.0° |
| OC1 | CG1 | CG2 | H20 | 117.8° | 120.1° |
| OC1 | CG1 | OG | H20 | 121.0° | 120.0° |
| OC1 | CG1 | CG2 | CG3 | 71.5° | 62.4° |
| OC1 | CG1 | OG | CG | 62.0° | 58.8° |
| CG1 | OC1 | C | H2 | 66.9° | 60.0° |
| CG1 | OC1 | C | H3 | 53.2° | 60.1° |
| OC1 | CG1 | CG2 | H29 | 169.2° | 177.7° |
| OG3 | CG2 | CG1 | CG3 | 120.4° | 119.9° |
| OG3 | CG2 | CG1 | H29 | 120.2° | 120.2° |
| OG3 | CG2 | CG1 | OG | 173.4° | 177.5° |
| OG3 | CG2 | CG3 | H29 | 119.5° | 120.2° |
| OG3 | CG2 | CG3 | CG4 | 170.9° | 176.9° |
| OG3 | CG2 | CG3 | OG4 | 65.9° | 63.3° |
| OG3 | CG2 | CG1 | H20 | 68.9° | 62.5° |
| OG3 | CG2 | CG3 | H27 | 52.2° | 57.0° |
| CG2 | CG1 | OG | H20 | 117.0° | 120.0° |
| CG1 | CG2 | CG3 | H29 | 119.3° | 119.9° |
| CG2 | CG1 | OG | CG | 60.0° | 61.2° |
| CG1 | CG2 | CG3 | CG4 | 49.8° | 57.0° |
| CG1 | CG2 | CG3 | OG4 | 172.9° | 176.8° |
| CG1 | CG2 | CG3 | H27 | 68.9° | 62.9° |
| CG1 | CG2 | OG3 | H30 | 180.0° | 60.0° |
| OG | CG1 | CG2 | CG3 | 53.0° | 57.6° |
| CG1 | OG | CG | CG4 | 60.3° | 61.2° |
| CG1 | OG | CG | CG5 | 174.7° | 178.9° |
| CG1 | OG | CG | H21 | 57.1° | 58.8° |
| OG | CG1 | CG2 | H29 | 66.4° | 62.3° |
| CG2 | CG3 | CG4 | OG4 | 122.9° | 119.9° |
| CG2 | CG3 | CG4 | H27 | 118.7° | 120.0° |
| CG2 | CG3 | OG4 | H27 | 117.2° | 120.3° |
| CG2 | CG3 | CG4 | CG | 48.5° | 57.0° |
| CG2 | CG3 | CG4 | OG5 | 76.0° | 62.9° |
| CG3 | CG2 | CG1 | H20 | 170.7° | 177.6° |
| CG2 | CG3 | CG4 | H25 | 165.3° | 176.9° |
| CG2 | CG3 | OG4 | H28 | 180.0° | 60.5° |
| CG3 | CG2 | OG3 | H30 | 57.8° | 179.7° |
| OG | CG | CG4 | CG3 | 51.8° | 57.6° |
| OG | CG | CG4 | CG5 | 124.3° | 120.0° |
| OG | CG | CG4 | H21 | 118.0° | 120.0° |
| OG | CG | CG5 | H21 | 118.0° | 120.1° |
| OG | CG | CG5 | OG6 | 45.7° | 65.0° |
| OG | CG | CG4 | OG5 | 71.4° | 62.3° |
| CG | OG | CG1 | H20 | 177.1° | 178.9° |
| OG | CG | CG5 | H22 | 165.6° | 175.0° |
| OG | CG | CG5 | H23 | 74.3° | 55.0° |
| OG | CG | CG4 | H25 | 168.7° | 177.6° |
| CG4 | CG3 | OG4 | H27 | 117.4° | 120.1° |
| CG3 | CG4 | CG | OG5 | 123.1° | 119.9° |
| CG3 | CG4 | CG | H25 | 116.9° | 120.0° |
| CG3 | CG4 | CG | CG5 | 176.1° | 177.6° |
| CG3 | CG4 | OG5 | H25 | 117.8° | 120.2° |
| CG3 | CG4 | CG | H21 | 66.2° | 62.4° |
| CG3 | CG4 | OG5 | H26 | 180.0° | 60.4° |
| CG4 | CG3 | OG4 | H28 | 54.7° | 180.0° |
| CG4 | CG3 | CG2 | H29 | 69.5° | 62.9° |
| OG4 | CG3 | CG4 | CG | 171.4° | 176.8° |
| OG4 | CG3 | CG4 | OG5 | 46.9° | 57.0° |
| OG4 | CG3 | CG4 | H25 | 71.8° | 63.2° |
| OG4 | CG3 | CG2 | H29 | 53.6° | 56.9° |
| CG4 | CG | CG5 | H21 | 117.6° | 120.0° |
| CG4 | CG | CG5 | OG6 | 170.1° | 175.0° |
| CG | CG4 | OG5 | H25 | 119.2° | 120.1° |
| CG4 | CG | CG5 | H22 | 70.0° | 55.0° |
| CG4 | CG | CG5 | H23 | 50.2° | 64.9° |
| CG | CG4 | OG5 | H26 | 57.0° | 179.9° |
| CG | CG4 | CG3 | H27 | 70.3° | 63.0° |
| CG | CG5 | OG6 | H22 | 119.9° | 120.0° |
| CG | CG5 | OG6 | H23 | 119.9° | 120.0° |
| CG5 | CG | CG4 | OG5 | 52.9° | 57.7° |
| CG | CG5 | H22 | H23 | 120.2° | 120.0° |
| CG | CG5 | OG6 | H24 | 180.0° | 180.0° |
| CG5 | CG | CG4 | H25 | 67.0° | 62.4° |
| OG6 | CG5 | CG | H21 | 72.4° | 55.0° |
| OG6 | CG5 | H22 | H23 | 120.2° | 120.0° |
| OG5 | CG4 | CG | H21 | 170.7° | 177.7° |
| OG5 | CG4 | CG3 | H27 | 165.2° | 177.1° |
| H1 | N | C1 | H19 | 157.3° | 144.9° |
| H2 | C | C1 | H19 | 58.3° | 55.5° |
| H3 | C | C1 | H19 | 61.8° | 64.4° |
| H4 | C25 | H5 | H6 | 120.0° | 120.0° |
| H4 | C25 | C24 | H7 | 59.9° | 180.0° |
| H4 | C25 | C24 | H8 | 60.0° | 60.0° |
| H5 | C25 | C24 | H7 | 60.0° | 60.0° |
| H5 | C25 | C24 | H8 | 179.9° | 60.0° |
| H6 | C25 | C24 | H7 | 180.0° | 59.9° |
| H6 | C25 | C24 | H8 | 60.0° | 179.9° |
| H7 | C24 | C23 | H9 | 156.4° | 180.0° |
| H7 | C24 | C23 | H10 | 83.5° | 60.0° |
| H8 | C24 | C23 | H9 | 36.5° | 60.0° |
| H8 | C24 | C23 | H10 | 156.5° | 180.0° |
| H9 | C23 | C22 | H11 | 146.6° | 180.0° |
| H9 | C23 | C22 | H12 | 93.9° | 60.0° |
| H10 | C23 | C22 | H11 | 26.5° | 60.0° |
| H10 | C23 | C22 | H12 | 146.1° | 180.0° |
| H11 | C22 | C21 | H13 | 115.7° | 180.0° |
| H11 | C22 | C21 | H14 | 4.6° | 60.0° |
| H12 | C22 | C21 | H13 | 124.7° | 60.0° |
| H12 | C22 | C21 | H14 | 115.0° | 180.0° |
| H13 | C21 | C20 | H15 | 153.7° | 180.0° |
| H13 | C21 | C20 | H16 | 33.8° | 59.9° |
| H14 | C21 | C20 | H15 | 86.0° | 60.0° |
| H14 | C21 | C20 | H16 | 154.1° | 180.0° |
| H15 | C20 | C19 | H17 | 116.0° | 180.0° |
| H15 | C20 | C19 | H18 | 4.0° | 60.0° |
| H16 | C20 | C19 | H17 | 124.2° | 60.0° |
| H16 | C20 | C19 | H18 | 115.8° | 180.0° |
| H19 | C1 | C2 | H31 | 168.6° | 174.5° |
| H20 | CG1 | CG2 | H29 | 51.4° | 57.7° |
| H21 | CG | CG5 | H22 | 47.6° | 65.0° |
| H21 | CG | CG5 | H23 | 167.7° | 175.1° |
| H21 | CG | CG4 | H25 | 50.7° | 57.6° |
| H22 | CG5 | OG6 | H24 | 60.1° | 60.0° |
| H23 | CG5 | OG6 | H24 | 60.1° | 60.0° |
| H25 | CG4 | OG5 | H26 | 62.2° | 59.8° |
| H25 | CG4 | CG3 | H27 | 46.6° | 56.9° |
| H27 | CG3 | OG4 | H28 | 62.8° | 59.9° |
| H27 | CG3 | CG2 | H29 | 171.7° | 177.2° |
| H29 | CG2 | OG3 | H30 | 60.7° | 60.1° |
| H31 | C2 | O1 | H32 | 63.7° | 175.0° |
| H31 | C2 | C3 | H33 | 59.0° | 180.0° |
| H33 | C3 | O32 | H34 | 62.2° | 180.0° |
| H33 | C3 | C4 | H35 | 152.8° | 65.0° |
| H33 | C3 | C4 | H36 | 33.3° | 175.0° |
| H35 | C4 | C5 | H37 | 117.7° | 180.0° |
| H35 | C4 | C5 | H38 | 1.8° | 60.0° |
| H36 | C4 | C5 | H37 | 122.7° | 60.0° |
| H36 | C4 | C5 | H38 | 117.8° | 180.0° |
| H37 | C5 | C6 | H39 | 162.1° | 180.0° |
| H37 | C5 | C6 | H40 | 78.5° | 60.0° |
| H38 | C5 | C6 | H39 | 42.6° | 60.0° |
| H38 | C5 | C6 | H40 | 162.0° | 180.0° |
| H43 | C17 | C16 | H44 | 0.1° | 0.1° |
| H44 | C16 | C15 | H45 | 0.4° | 0.1° |
| H46 | C8 | C9 | H48 | 81.6° | 180.0° |
| H46 | C8 | C9 | H49 | 158.9° | 60.0° |
| H47 | C8 | C9 | H48 | 37.2° | 60.0° |
| H47 | C8 | C9 | H49 | 82.3° | NaN° |
| H48 | C9 | C10 | H50 | 178.7° | 180.0° |
| H48 | C9 | C10 | H51 | 58.9° | 59.9° |
| H49 | C9 | C10 | H50 | 61.8° | 60.0° |
| H49 | C9 | C10 | H51 | 178.4° | 180.0° |
| H50 | C10 | C11 | H52 | 114.4° | 179.9° |
| H50 | C10 | C11 | H53 | 125.7° | 60.0° |
| H51 | C10 | C11 | H52 | 5.4° | 59.9° |
| H51 | C10 | C11 | H53 | 114.5° | 179.9° |
| H52 | C11 | C12 | H54 | 60.0° | 180.0° |
| H52 | C11 | C12 | H55 | 60.1° | 60.0° |
| H52 | C11 | C12 | H56 | 179.9° | 60.0° |
| H53 | C11 | C12 | H54 | 59.9° | 60.0° |
| H53 | C11 | C12 | H55 | 179.9° | 180.0° |
| H53 | C11 | C12 | H56 | 60.0° | 60.0° |
| H54 | C12 | H55 | H56 | 120.0° | 120.0° |
