5JZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N41 | sing | 1.47Å | 1.44Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C33 | sing | 1.47Å | 1.48Å | |
| C13 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | N37 | doub | 1.30Å | 1.31Å | Aromatic |
| C15 | N43 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C23 | sing | 1.51Å | 1.49Å | |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C20 | C36 | sing | 1.53Å | 1.52Å | |
| C21 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C24 | C28 | sing | 1.41Å | 1.38Å | Aromatic |
| C24 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | N43 | sing | 1.38Å | 1.37Å | Aromatic |
| C26 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | O49 | sing | 1.36Å | 1.39Å | |
| C28 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | N37 | sing | 1.36Å | 1.37Å | Aromatic |
| C32 | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C35 | sing | 1.53Å | 1.51Å | |
| C3 | C35 | sing | 1.53Å | 1.51Å | |
| C9 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | N44 | sing | 1.47Å | 1.45Å | |
| C19 | C27 | sing | 1.51Å | 1.49Å | |
| C19 | O48 | sing | 1.43Å | 1.43Å | |
| C1 | O45 | sing | 1.43Å | 1.42Å | |
| C23 | C25 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | N44 | sing | 1.40Å | 1.41Å | |
| C30 | N40 | doub | 1.33Å | 1.34Å | Aromatic |
| C30 | N38 | sing | 1.33Å | 1.33Å | Aromatic |
| C30 | N42 | sing | 1.38Å | 1.41Å | |
| C31 | N40 | sing | 1.33Å | 1.34Å | Aromatic |
| C31 | N39 | doub | 1.33Å | 1.34Å | Aromatic |
| C31 | N43 | sing | 1.39Å | 1.41Å | Aromatic |
| C29 | N38 | doub | 1.33Å | 1.33Å | Aromatic |
| C29 | N39 | sing | 1.33Å | 1.34Å | Aromatic |
| C29 | O45 | sing | 1.35Å | 1.38Å | |
| C36 | C34 | sing | 1.51Å | 1.50Å | |
| C36 | N42 | sing | 1.46Å | 1.45Å | |
| C33 | N44 | sing | 1.35Å | 1.38Å | |
| C33 | O46 | doub | 1.22Å | 1.22Å | |
| C34 | N41 | sing | 1.35Å | 1.37Å | |
| C34 | O47 | doub | 1.21Å | 1.23Å | |
| C35 | O48 | sing | 1.43Å | 1.43Å | |
| C35 | O49 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| N41 | HN41 | sing | 0.97Å | 1.00Å | |
| N42 | HN42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N41 | C34 | 121.0° | 120.0° |
| N41 | C4 | H4 | 109.5° | 109.5° |
| N41 | C4 | H4A | 109.5° | 109.5° |
| N41 | C4 | H4B | 109.5° | 109.5° |
| C4 | N41 | HN41 | 119.5° | 120.0° |
| C6 | C5 | C7 | 120.5° | 120.1° |
| C5 | C6 | C8 | 120.0° | 119.9° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C5 | C7 | C23 | 119.3° | 120.4° |
| C7 | C5 | H5 | 119.7° | 120.0° |
| C5 | C7 | H7 | 120.3° | 119.8° |
| C6 | C8 | C25 | 119.5° | 120.0° |
| C8 | C6 | H6 | 120.0° | 120.0° |
| C6 | C8 | H8 | 120.2° | 120.0° |
| C7 | C23 | C17 | 121.0° | 119.0° |
| C7 | C23 | C25 | 120.3° | 119.5° |
| C23 | C7 | H7 | 120.3° | 119.8° |
| C8 | C25 | C23 | 120.3° | 120.1° |
| C8 | C25 | N44 | 122.9° | 119.1° |
| C25 | C8 | H8 | 120.3° | 120.0° |
| C22 | C10 | C11 | 123.1° | 120.1° |
| C22 | C10 | C33 | 120.8° | 119.9° |
| C10 | C22 | C14 | 121.0° | 120.5° |
| C10 | C22 | H22 | 119.5° | 119.8° |
| C11 | C10 | C33 | 116.1° | 120.0° |
| C10 | C11 | C24 | 115.1° | 119.6° |
| C10 | C11 | H11 | 122.4° | 120.2° |
| C10 | C33 | N44 | 119.1° | 120.0° |
| C10 | C33 | O46 | 118.1° | 120.0° |
| C21 | C13 | C27 | 120.6° | 120.0° |
| C13 | C21 | C20 | 120.5° | 119.9° |
| C13 | C21 | C9 | 119.6° | 120.1° |
| C21 | C13 | H13 | 119.7° | 120.0° |
| C13 | C27 | C26 | 119.3° | 120.0° |
| C13 | C27 | C19 | 119.4° | 119.6° |
| C27 | C13 | H13 | 119.7° | 120.0° |
| N37 | C15 | N43 | 111.9° | 110.1° |
| C15 | N37 | C28 | 105.6° | 109.9° |
| N37 | C15 | H15 | 124.1° | 125.0° |
| C15 | N43 | C24 | 107.0° | 107.2° |
| C15 | N43 | C31 | 124.1° | 126.4° |
| N43 | C15 | H15 | 124.0° | 124.9° |
| C16 | C17 | C23 | 109.3° | 110.5° |
| C17 | C16 | C18 | 112.6° | 108.8° |
| C16 | C17 | H17 | 109.5° | 109.3° |
| C16 | C17 | H17A | 109.6° | 109.2° |
| C17 | C16 | H16 | 108.5° | 109.6° |
| C17 | C16 | H16A | 107.8° | 109.6° |
| C17 | C23 | C25 | 118.7° | 121.5° |
| C23 | C17 | H17 | 109.6° | 109.3° |
| C23 | C17 | H17A | 109.6° | 109.3° |
| C21 | C20 | C36 | 109.6° | 109.5° |
| C20 | C21 | C9 | 119.9° | 120.0° |
| C21 | C20 | H20 | 109.5° | 109.5° |
| C21 | C20 | H20A | 109.4° | 109.5° |
| C20 | C36 | C34 | 108.2° | 109.4° |
| C20 | C36 | N42 | 110.0° | 109.4° |
| C36 | C20 | H20 | 109.4° | 109.5° |
| C36 | C20 | H20A | 109.4° | 109.5° |
| C20 | C36 | H36 | 108.7° | 109.5° |
| C21 | C9 | C12 | 120.3° | 120.0° |
| C21 | C9 | H9 | 119.8° | 120.0° |
| C22 | C14 | C28 | 116.8° | 120.1° |
| C14 | C22 | H22 | 119.5° | 119.7° |
| C22 | C14 | H14 | 121.6° | 120.0° |
| C28 | C24 | C11 | 122.9° | 120.0° |
| C28 | C24 | N43 | 105.3° | 106.0° |
| C24 | C28 | C14 | 121.0° | 119.7° |
| C24 | C28 | N37 | 110.2° | 107.0° |
| C11 | C24 | N43 | 131.9° | 134.0° |
| C24 | C11 | H11 | 122.4° | 120.2° |
| C24 | N43 | C31 | 128.1° | 126.4° |
| C12 | C26 | C27 | 120.5° | 119.9° |
| C12 | C26 | O49 | 116.9° | 119.6° |
| C26 | C12 | C9 | 119.7° | 120.0° |
| C26 | C12 | H12 | 120.1° | 120.0° |
| C27 | C26 | O49 | 122.6° | 120.5° |
| C26 | C27 | C19 | 121.3° | 120.4° |
| C26 | O49 | C35 | 111.3° | 116.9° |
| C14 | C28 | N37 | 128.8° | 133.3° |
| C28 | C14 | H14 | 121.6° | 120.0° |
| C32 | C1 | O45 | 107.1° | 109.5° |
| C1 | C32 | H32 | 109.5° | 109.5° |
| C1 | C32 | H32A | 109.5° | 109.5° |
| C1 | C32 | H32B | 109.5° | 109.5° |
| C32 | C1 | H1 | 110.3° | 109.5° |
| C32 | C1 | H1A | 110.8° | 109.5° |
| C2 | C35 | C3 | 106.4° | 109.6° |
| C2 | C35 | O48 | 106.9° | 109.6° |
| C2 | C35 | O49 | 106.2° | 109.6° |
| C35 | C2 | H2 | 109.5° | 109.5° |
| C35 | C2 | H2A | 109.5° | 109.5° |
| C35 | C2 | H2B | 109.5° | 109.5° |
| C3 | C35 | O48 | 112.2° | 109.6° |
| C3 | C35 | O49 | 111.1° | 109.8° |
| C35 | C3 | H3 | 109.5° | 109.5° |
| C35 | C3 | H3A | 109.5° | 109.5° |
| C35 | C3 | H3B | 109.5° | 109.5° |
| C12 | C9 | H9 | 119.9° | 119.9° |
| C9 | C12 | H12 | 120.2° | 120.0° |
| C16 | C18 | N44 | 115.2° | 107.8° |
| C18 | C16 | H16 | 108.4° | 109.6° |
| C18 | C16 | H16A | 107.8° | 109.5° |
| C16 | C18 | H18 | 107.6° | 109.8° |
| C16 | C18 | H18A | 106.3° | 109.8° |
| C18 | N44 | C25 | 117.1° | 118.9° |
| C18 | N44 | C33 | 116.4° | 120.5° |
| N44 | C18 | H18 | 107.6° | 109.8° |
| N44 | C18 | H18A | 106.3° | 109.8° |
| C27 | C19 | O48 | 110.8° | 109.3° |
| C27 | C19 | H19 | 109.0° | 109.5° |
| C27 | C19 | H19A | 108.7° | 109.5° |
| C19 | O48 | C35 | 114.2° | 113.0° |
| O48 | C19 | H19 | 109.0° | 109.5° |
| O48 | C19 | H19A | 108.7° | 109.5° |
| C1 | O45 | C29 | 107.0° | 117.0° |
| O45 | C1 | H1 | 110.3° | 109.5° |
| O45 | C1 | H1A | 110.8° | 109.5° |
| C23 | C25 | N44 | 116.9° | 120.8° |
| C25 | N44 | C33 | 124.3° | 120.6° |
| N40 | C30 | N38 | 122.7° | 120.0° |
| N40 | C30 | N42 | 122.6° | 120.0° |
| C30 | N40 | C31 | 116.3° | 119.9° |
| N38 | C30 | N42 | 114.6° | 120.0° |
| C30 | N38 | C29 | 115.9° | 120.0° |
| C30 | N42 | C36 | 115.9° | 120.0° |
| C30 | N42 | HN42 | 107.4° | 119.9° |
| N40 | C31 | N39 | 125.5° | 120.0° |
| N40 | C31 | N43 | 116.8° | 120.0° |
| N39 | C31 | N43 | 117.7° | 120.0° |
| C31 | N39 | C29 | 113.0° | 120.0° |
| N38 | C29 | N39 | 126.6° | 120.0° |
| N38 | C29 | O45 | 114.4° | 120.0° |
| N39 | C29 | O45 | 119.0° | 120.0° |
| C34 | C36 | N42 | 105.3° | 109.5° |
| C36 | C34 | N41 | 111.7° | 120.0° |
| C36 | C34 | O47 | 123.1° | 120.0° |
| C34 | C36 | H36 | 113.1° | 109.5° |
| N42 | C36 | H36 | 111.5° | 109.5° |
| C36 | N42 | HN42 | 107.4° | 120.0° |
| N44 | C33 | O46 | 122.8° | 120.0° |
| N41 | C34 | O47 | 125.1° | 120.0° |
| C34 | N41 | HN41 | 119.5° | 120.0° |
| O48 | C35 | O49 | 113.5° | 108.7° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.3° | 109.2° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.5° |
| H32A | C32 | H32B | 109.4° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.4° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
| H16 | C16 | H16A | 111.9° | 109.7° |
| H18 | C18 | H18A | 114.1° | 109.9° |
| H19 | C19 | H19A | 110.5° | 109.5° |
| H1 | C1 | H1A | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N41 | C34 | C36 | 179.4° | 180.0° |
| C4 | N41 | C34 | HN41 | 180.0° | 180.0° |
| C4 | N41 | C34 | O47 | 1.8° | 0.0° |
| N41 | C4 | H4 | H4A | 120.0° | 120.1° |
| N41 | C4 | H4 | H4B | 120.0° | 120.0° |
| N41 | C4 | H4A | H4B | 120.0° | 120.0° |
| C6 | C5 | C7 | H5 | 180.0° | 179.8° |
| C5 | C6 | C8 | H6 | 180.0° | 180.0° |
| C6 | C5 | C7 | C23 | 0.1° | 0.0° |
| C5 | C6 | C8 | C25 | 0.3° | 0.0° |
| C6 | C5 | C7 | H7 | 179.8° | 179.9° |
| C5 | C6 | C8 | H8 | 179.7° | 180.0° |
| C7 | C5 | C6 | C8 | 0.1° | 0.0° |
| C5 | C7 | C23 | H7 | 180.0° | 179.9° |
| C5 | C7 | C23 | C17 | 180.0° | 179.8° |
| C5 | C7 | C23 | C25 | 0.1° | 0.1° |
| C7 | C5 | C6 | H6 | 180.0° | 180.0° |
| C6 | C8 | C25 | H8 | 180.0° | 180.0° |
| C6 | C8 | C25 | C23 | 0.4° | 0.1° |
| C6 | C8 | C25 | N44 | 179.9° | 179.6° |
| C8 | C6 | C5 | H5 | 179.9° | 179.8° |
| C7 | C23 | C25 | C8 | 0.2° | 0.2° |
| C7 | C23 | C17 | C16 | 135.3° | 159.4° |
| C7 | C23 | C17 | C25 | 179.9° | 179.9° |
| C7 | C23 | C25 | N44 | 179.9° | 179.6° |
| C23 | C7 | C5 | H5 | 179.9° | 179.8° |
| C7 | C23 | C17 | H17 | 15.3° | 39.1° |
| C7 | C23 | C17 | H17A | 104.6° | 80.4° |
| C8 | C25 | C23 | C17 | 179.8° | 179.7° |
| C8 | C25 | N44 | C18 | 139.0° | 166.7° |
| C8 | C25 | C23 | N44 | 179.7° | 179.8° |
| C8 | C25 | N44 | C33 | 23.6° | 13.3° |
| C25 | C8 | C6 | H6 | 179.7° | 180.0° |
| C22 | C10 | C11 | C33 | 179.6° | 179.8° |
| C10 | C22 | C14 | H22 | 180.0° | 179.9° |
| C22 | C10 | C11 | C24 | 0.1° | 0.0° |
| C10 | C22 | C14 | C28 | 0.2° | 0.1° |
| C22 | C10 | C33 | N44 | 34.6° | 44.8° |
| C22 | C10 | C33 | O46 | 144.4° | 135.2° |
| C10 | C22 | C14 | H14 | 179.8° | 180.0° |
| C22 | C10 | C11 | H11 | 179.9° | 180.0° |
| C11 | C10 | C22 | C14 | 0.3° | 0.1° |
| C10 | C11 | C24 | C28 | 0.1° | 0.0° |
| C10 | C11 | C24 | H11 | 180.0° | 180.0° |
| C10 | C11 | C24 | N43 | 179.9° | 180.0° |
| C11 | C10 | C33 | N44 | 145.8° | 135.0° |
| C11 | C10 | C33 | O46 | 35.2° | 45.0° |
| C11 | C10 | C22 | H22 | 179.7° | 180.0° |
| C33 | C10 | C22 | C14 | 179.8° | 179.7° |
| C33 | C10 | C11 | C24 | 179.7° | 179.8° |
| C10 | C33 | N44 | C18 | 154.9° | 2.1° |
| C10 | C33 | N44 | C25 | 42.4° | 178.0° |
| C10 | C33 | N44 | O46 | 179.0° | 180.0° |
| C33 | C10 | C22 | H22 | 0.2° | 0.2° |
| C33 | C10 | C11 | H11 | 0.3° | 0.2° |
| C21 | C13 | C27 | H13 | 180.0° | 179.8° |
| C13 | C21 | C20 | C9 | 179.4° | 180.0° |
| C13 | C21 | C20 | C36 | 75.1° | 90.0° |
| C21 | C13 | C27 | C26 | 0.0° | 0.1° |
| C13 | C21 | C9 | C12 | 0.3° | 0.1° |
| C21 | C13 | C27 | C19 | 179.9° | 179.7° |
| C13 | C21 | C20 | H20 | 44.9° | 150.0° |
| C13 | C21 | C20 | H20A | 164.9° | 30.0° |
| C13 | C21 | C9 | H9 | 179.7° | 179.9° |
| C27 | C13 | C21 | C20 | 179.5° | 180.0° |
| C27 | C13 | C21 | C9 | 0.1° | 0.0° |
| C13 | C27 | C26 | C12 | 0.1° | 0.2° |
| C13 | C27 | C26 | C19 | 179.9° | 179.8° |
| C13 | C27 | C26 | O49 | 179.7° | 179.6° |
| C13 | C27 | C19 | O48 | 170.5° | 163.9° |
| C13 | C27 | C19 | H19 | 50.5° | 76.1° |
| C13 | C27 | C19 | H19A | 70.1° | 43.9° |
| N37 | C15 | N43 | H15 | 180.0° | 180.0° |
| C15 | N37 | C28 | C24 | 0.0° | 0.0° |
| N37 | C15 | N43 | C24 | 0.1° | 0.0° |
| C15 | N37 | C28 | C14 | 179.9° | 180.0° |
| N37 | C15 | N43 | C31 | 170.6° | 180.0° |
| C15 | N43 | C24 | C28 | 0.0° | 0.0° |
| C15 | N43 | C24 | C11 | 180.0° | 180.0° |
| C15 | N43 | C24 | C31 | 170.1° | 180.0° |
| N43 | C15 | N37 | C28 | 0.0° | 0.0° |
| C15 | N43 | C31 | N40 | 1.2° | 0.1° |
| C15 | N43 | C31 | N39 | 178.5° | 180.0° |
| C16 | C17 | C23 | H17 | 120.0° | 120.3° |
| C16 | C17 | C23 | H17A | 120.1° | 120.3° |
| C17 | C16 | C18 | H16 | 120.0° | 119.8° |
| C17 | C16 | C18 | H16A | 118.7° | 119.8° |
| C17 | C16 | C18 | N44 | 13.3° | 63.2° |
| C16 | C17 | C23 | C25 | 44.6° | 20.7° |
| C16 | C17 | H17 | H17A | 120.0° | 119.5° |
| C17 | C16 | H16 | H16A | 118.7° | 120.4° |
| C17 | C16 | C18 | H18 | 106.7° | 56.4° |
| C17 | C16 | C18 | H18A | 130.7° | 177.2° |
| C23 | C17 | C16 | C18 | 49.2° | 51.4° |
| C17 | C23 | C25 | N44 | 0.0° | 0.6° |
| C17 | C23 | C7 | H7 | 0.0° | 0.2° |
| C23 | C17 | H17 | H17A | 120.1° | 119.5° |
| C23 | C17 | C16 | H16 | 169.2° | 171.2° |
| C23 | C17 | C16 | H16A | 69.5° | 68.4° |
| C21 | C20 | C36 | H20 | 120.0° | 120.0° |
| C21 | C20 | C36 | H20A | 120.0° | 120.0° |
| C20 | C21 | C9 | C12 | 179.7° | 180.0° |
| C21 | C20 | C36 | C34 | 172.8° | 175.0° |
| C21 | C20 | C36 | N42 | 58.2° | 65.1° |
| C20 | C21 | C13 | H13 | 0.5° | 0.3° |
| C21 | C20 | H20 | H20A | 120.0° | 120.0° |
| C20 | C21 | C9 | H9 | 0.3° | 0.1° |
| C21 | C20 | C36 | H36 | 64.1° | 55.0° |
| C36 | C20 | C21 | C9 | 104.2° | 90.0° |
| C20 | C36 | N42 | C30 | 101.2° | 155.0° |
| C20 | C36 | C34 | N42 | 117.6° | 119.9° |
| C20 | C36 | C34 | H36 | 120.4° | 120.0° |
| C20 | C36 | N42 | H36 | 120.6° | 120.1° |
| C20 | C36 | C34 | N41 | 98.9° | 60.0° |
| C20 | C36 | C34 | O47 | 82.3° | 120.0° |
| C36 | C20 | H20 | H20A | 120.0° | 120.0° |
| C20 | C36 | N42 | HN42 | 18.8° | 25.0° |
| C21 | C9 | C12 | C26 | 0.4° | 0.1° |
| C21 | C9 | C12 | H9 | 180.0° | 179.9° |
| C9 | C21 | C13 | H13 | 179.9° | 179.7° |
| C9 | C21 | C20 | H20 | 135.8° | 30.0° |
| C9 | C21 | C20 | H20A | 15.7° | 150.0° |
| C21 | C9 | C12 | H12 | 179.6° | 179.9° |
| C22 | C14 | C28 | C24 | 0.0° | 0.1° |
| C22 | C14 | C28 | H14 | 180.0° | 180.0° |
| C22 | C14 | C28 | N37 | 179.8° | 180.0° |
| C28 | C24 | C11 | N43 | 180.0° | 180.0° |
| C24 | C28 | C14 | N37 | 179.8° | 180.0° |
| C28 | C24 | N43 | C31 | 170.1° | 180.0° |
| C24 | C28 | C14 | H14 | 180.0° | 180.0° |
| C28 | C24 | C11 | H11 | 179.9° | 180.0° |
| C11 | C24 | C28 | C14 | 0.1° | 0.0° |
| C11 | C24 | C28 | N37 | 180.0° | 180.0° |
| C11 | C24 | N43 | C31 | 9.9° | 0.0° |
| N43 | C24 | C28 | C14 | 179.8° | 180.0° |
| N43 | C24 | C28 | N37 | 0.0° | 0.0° |
| C24 | N43 | C31 | N40 | 167.4° | 179.9° |
| C24 | N43 | C31 | N39 | 12.9° | 0.0° |
| C24 | N43 | C15 | H15 | 179.9° | 180.0° |
| N43 | C24 | C11 | H11 | 0.1° | 0.0° |
| C12 | C26 | C27 | O49 | 179.6° | 179.8° |
| C26 | C12 | C9 | H12 | 180.0° | 180.0° |
| C12 | C26 | C27 | C19 | 180.0° | 179.6° |
| C12 | C26 | O49 | C35 | 160.9° | 163.5° |
| C26 | C12 | C9 | H9 | 179.7° | 180.0° |
| C27 | C26 | C12 | C9 | 0.2° | 0.2° |
| C26 | C27 | C19 | O48 | 9.6° | 16.3° |
| C27 | C26 | O49 | C35 | 19.5° | 16.7° |
| C26 | C27 | C13 | H13 | 180.0° | 179.9° |
| C27 | C26 | C12 | H12 | 179.7° | 179.8° |
| C26 | C27 | C19 | H19 | 129.6° | 103.7° |
| C26 | C27 | C19 | H19A | 109.8° | 136.3° |
| C26 | O49 | C35 | C2 | 166.0° | 72.3° |
| C26 | O49 | C35 | C3 | 78.6° | 167.2° |
| O49 | C26 | C12 | C9 | 179.9° | 179.6° |
| O49 | C26 | C27 | C19 | 0.4° | 0.6° |
| C26 | O49 | C35 | O48 | 48.9° | 47.4° |
| O49 | C26 | C12 | H12 | 0.1° | 0.4° |
| C28 | C14 | C22 | H22 | 179.8° | 180.0° |
| C28 | N37 | C15 | H15 | 180.0° | 180.0° |
| N37 | C28 | C14 | H14 | 0.2° | 0.0° |
| C32 | C1 | O45 | H1 | 120.0° | 120.0° |
| C32 | C1 | O45 | H1A | 121.0° | 120.0° |
| C32 | C1 | O45 | C29 | 130.1° | 180.0° |
| C1 | C32 | H32 | H32A | 120.0° | 120.0° |
| C1 | C32 | H32 | H32B | 120.0° | 120.0° |
| C1 | C32 | H32A | H32B | 120.0° | 120.0° |
| C32 | C1 | H1 | H1A | 121.0° | 120.0° |
| C2 | C35 | C3 | O48 | 116.5° | 120.4° |
| C2 | C35 | C3 | O49 | 115.2° | 120.4° |
| C2 | C35 | O48 | C19 | 178.3° | 54.4° |
| C2 | C35 | O48 | O49 | 116.8° | 119.7° |
| C35 | C2 | H2 | H2A | 120.0° | 120.0° |
| C35 | C2 | H2 | H2B | 120.0° | 120.0° |
| C35 | C2 | H2A | H2B | 120.0° | 120.0° |
| C2 | C35 | C3 | H3 | 138.0° | 60.0° |
| C2 | C35 | C3 | H3A | 18.0° | 180.0° |
| C2 | C35 | C3 | H3B | 102.0° | 60.0° |
| C3 | C35 | O48 | C19 | 65.5° | 174.7° |
| C3 | C35 | O48 | O49 | 127.0° | 119.9° |
| C3 | C35 | C2 | H2 | 121.0° | 60.0° |
| C3 | C35 | C2 | H2A | 1.0° | 180.0° |
| C3 | C35 | C2 | H2B | 119.0° | 60.0° |
| C35 | C3 | H3 | H3A | 120.0° | 120.0° |
| C35 | C3 | H3 | H3B | 120.0° | 120.0° |
| C35 | C3 | H3A | H3B | 120.0° | 120.0° |
| C16 | C18 | N44 | H18 | 120.0° | 119.6° |
| C16 | C18 | N44 | H18A | 117.4° | 119.5° |
| C16 | C18 | N44 | C25 | 32.7° | 44.7° |
| C16 | C18 | N44 | C33 | 163.3° | 135.3° |
| C18 | C16 | C17 | H17 | 169.2° | 171.7° |
| C18 | C16 | C17 | H17A | 70.9° | 68.9° |
| C18 | C16 | H16 | H16A | 118.7° | 120.3° |
| C16 | C18 | H18 | H18A | 117.7° | 120.8° |
| C18 | N44 | C25 | C23 | 40.8° | 13.6° |
| C18 | N44 | C25 | C33 | 162.6° | 180.0° |
| C18 | N44 | C33 | O46 | 24.1° | 177.9° |
| N44 | C18 | C16 | H16 | 133.3° | 177.0° |
| N44 | C18 | C16 | H16A | 105.4° | 56.6° |
| N44 | C18 | H18 | H18A | 117.7° | 120.8° |
| C27 | C19 | O48 | H19 | 120.0° | 120.0° |
| C27 | C19 | O48 | H19A | 119.5° | 120.0° |
| C27 | C19 | O48 | C35 | 38.6° | 48.6° |
| C19 | C27 | C13 | H13 | 0.1° | 0.1° |
| C27 | C19 | H19 | H19A | 119.5° | 120.0° |
| C19 | O48 | C35 | O49 | 61.5° | 65.3° |
| O48 | C19 | H19 | H19A | 119.4° | 120.1° |
| C1 | O45 | C29 | N38 | 138.1° | 0.0° |
| C1 | O45 | C29 | N39 | 42.3° | 180.0° |
| O45 | C1 | C32 | H32 | 27.4° | 60.0° |
| O45 | C1 | C32 | H32A | 147.4° | 180.0° |
| O45 | C1 | C32 | H32B | 92.6° | 60.0° |
| O45 | C1 | H1 | H1A | 120.9° | 120.0° |
| C23 | C25 | N44 | C33 | 156.7° | 166.4° |
| C25 | C23 | C7 | H7 | 179.9° | 180.0° |
| C23 | C25 | C8 | H8 | 179.6° | 179.9° |
| C25 | C23 | C17 | H17 | 164.6° | 141.1° |
| C25 | C23 | C17 | H17A | 75.5° | 99.5° |
| C25 | N44 | C33 | O46 | 138.6° | 2.1° |
| N44 | C25 | C8 | H8 | 0.1° | 0.4° |
| C25 | N44 | C18 | H18 | 152.7° | 74.9° |
| C25 | N44 | C18 | H18A | 84.7° | 164.2° |
| N40 | C30 | N38 | N42 | 179.9° | 179.7° |
| C30 | N40 | C31 | N39 | 0.0° | 0.0° |
| C30 | N40 | C31 | N43 | 179.7° | 180.0° |
| N40 | C30 | N38 | C29 | 0.0° | 0.0° |
| N40 | C30 | N42 | C36 | 8.3° | 180.0° |
| N40 | C30 | N42 | HN42 | 128.3° | 0.0° |
| N38 | C30 | N40 | C31 | 0.1° | 0.0° |
| C30 | N38 | C29 | N39 | 0.3° | 0.0° |
| C30 | N38 | C29 | O45 | 179.8° | 180.0° |
| N38 | C30 | N42 | C36 | 171.7° | 0.2° |
| N38 | C30 | N42 | HN42 | 51.7° | 179.8° |
| N42 | C30 | N40 | C31 | 179.9° | 179.7° |
| N42 | C30 | N38 | C29 | 179.9° | 179.7° |
| C30 | N42 | C36 | C34 | 142.4° | 85.1° |
| C30 | N42 | C36 | HN42 | 120.0° | 180.0° |
| C30 | N42 | C36 | H36 | 19.4° | 34.9° |
| N40 | C31 | N39 | N43 | 179.6° | 180.0° |
| N40 | C31 | N39 | C29 | 0.3° | 0.0° |
| C31 | N39 | C29 | N38 | 0.4° | 0.0° |
| C31 | N39 | C29 | O45 | 179.9° | 180.0° |
| N43 | C31 | N39 | C29 | 179.9° | 180.0° |
| C31 | N43 | C15 | H15 | 9.4° | 0.0° |
| N38 | C29 | N39 | O45 | 179.5° | 180.0° |
| C29 | O45 | C1 | H1 | 10.1° | 60.0° |
| C29 | O45 | C1 | H1A | 108.9° | 60.0° |
| C34 | C36 | N42 | H36 | 123.0° | 120.0° |
| C36 | C34 | N41 | O47 | 178.8° | 180.0° |
| C34 | C36 | C20 | H20 | 67.2° | 55.0° |
| C34 | C36 | C20 | H20A | 52.8° | 65.0° |
| C36 | C34 | N41 | HN41 | 0.6° | 0.0° |
| C34 | C36 | N42 | HN42 | 97.6° | 94.9° |
| N42 | C36 | C34 | N41 | 143.5° | 180.0° |
| N42 | C36 | C34 | O47 | 35.3° | 0.1° |
| N42 | C36 | C20 | H20 | 178.2° | 175.0° |
| N42 | C36 | C20 | H20A | 61.8° | 55.0° |
| C33 | N44 | C18 | H18 | 43.4° | 105.1° |
| C33 | N44 | C18 | H18A | 79.2° | 15.8° |
| C34 | N41 | C4 | H4 | 29.3° | 60.0° |
| C34 | N41 | C4 | H4A | 149.4° | 60.0° |
| C34 | N41 | C4 | H4B | 90.6° | 180.0° |
| N41 | C34 | C36 | H36 | 21.5° | 60.0° |
| O47 | C34 | C36 | H36 | 157.3° | 120.0° |
| O47 | C34 | N41 | HN41 | 178.2° | 180.0° |
| O48 | C35 | C2 | H2 | 1.0° | 179.6° |
| O48 | C35 | C2 | H2A | 119.0° | 59.7° |
| O48 | C35 | C2 | H2B | 120.9° | 60.4° |
| O48 | C35 | C3 | H3 | 105.4° | 60.4° |
| O48 | C35 | C3 | H3A | 134.6° | 59.7° |
| O48 | C35 | C3 | H3B | 14.6° | 179.7° |
| C35 | O48 | C19 | H19 | 158.6° | 71.4° |
| C35 | O48 | C19 | H19A | 80.9° | 168.6° |
| O49 | C35 | C2 | H2 | 120.5° | 60.5° |
| O49 | C35 | C2 | H2A | 119.5° | 59.5° |
| O49 | C35 | C2 | H2B | 0.6° | 179.5° |
| O49 | C35 | C3 | H3 | 22.8° | 179.6° |
| O49 | C35 | C3 | H3A | 97.2° | 59.6° |
| O49 | C35 | C3 | H3B | 142.8° | 60.4° |
| H4 | C4 | H4A | H4B | 119.9° | 120.0° |
| H4 | C4 | N41 | HN41 | 150.7° | 120.0° |
| H4A | C4 | N41 | HN41 | 30.7° | 119.9° |
| H4B | C4 | N41 | HN41 | 89.4° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.2° |
| H5 | C5 | C7 | H7 | 0.2° | 0.1° |
| H6 | C6 | C8 | H8 | 0.3° | 0.0° |
| H17 | C17 | C16 | H16 | 70.8° | 68.5° |
| H17 | C17 | C16 | H16A | 50.5° | 51.9° |
| H17A | C17 | C16 | H16 | 49.1° | 50.9° |
| H17A | C17 | C16 | H16A | 170.4° | 171.3° |
| H20 | C20 | C36 | H36 | 55.9° | 65.0° |
| H20A | C20 | C36 | H36 | 176.0° | 175.0° |
| H22 | C22 | C14 | H14 | 0.2° | 0.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| H32 | C32 | C1 | H1 | 147.4° | 180.0° |
| H32 | C32 | C1 | H1A | 93.5° | 60.0° |
| H32A | C32 | C1 | H1 | 92.6° | 60.0° |
| H32A | C32 | C1 | H1A | 26.5° | 60.0° |
| H32B | C32 | C1 | H1 | 27.4° | 60.0° |
| H32B | C32 | C1 | H1A | 146.4° | NaN° |
| H2 | C2 | H2A | H2B | 120.0° | 120.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H9 | C9 | C12 | H12 | 0.3° | 0.0° |
| H16 | C16 | C18 | H18 | 13.3° | 63.4° |
| H16 | C16 | C18 | H18A | 109.3° | 57.4° |
| H16A | C16 | C18 | H18 | 134.6° | 176.2° |
| H16A | C16 | C18 | H18A | 12.0° | 62.9° |
| H36 | C36 | N42 | HN42 | 139.4° | 145.1° |
