5JR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| O4 | C21 | doub | 1.21Å | 1.22Å | |
| C19 | N6 | sing | 1.40Å | 1.42Å | |
| C19 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | N6 | sing | 1.35Å | 1.35Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C18 | N5 | sing | 1.40Å | 1.38Å | |
| C22 | C26 | sing | 1.53Å | 1.50Å | |
| N7 | C27 | sing | 1.47Å | 1.47Å | |
| N7 | C30 | sing | 1.47Å | 1.47Å | |
| N7 | C25 | sing | 1.47Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C29 | N8 | sing | 1.47Å | 1.47Å | |
| N5 | C14 | sing | 1.39Å | 1.35Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | C23 | sing | 1.53Å | 1.51Å | |
| N8 | C28 | sing | 1.47Å | 1.46Å | |
| N8 | C31 | sing | 1.35Å | 1.35Å | |
| C23 | N1 | sing | 1.47Å | 1.49Å | |
| N4 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| N4 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| C14 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| O5 | C31 | doub | 1.21Å | 1.23Å | |
| C31 | C32 | sing | 1.51Å | 1.55Å | |
| N3 | C13 | doub | 1.33Å | 1.32Å | Aromatic |
| C10 | N1 | sing | 1.38Å | 1.39Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C11 | sing | 1.34Å | 1.38Å | |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C13 | C9 | sing | 1.37Å | 1.45Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.49Å | |
| O3 | C11 | doub | 1.22Å | 1.22Å | |
| C11 | N2 | sing | 1.35Å | 1.39Å | |
| N2 | C12 | sing | 1.47Å | 1.45Å | |
| N2 | C2 | sing | 1.40Å | 1.41Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| O2 | C7 | sing | 1.43Å | 1.42Å | |
| O1 | C8 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| N5 | H4 | sing | 0.97Å | 1.00Å | |
| N6 | H5 | sing | 0.97Å | 1.00Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C15 | C16 | 120.5° | 120.2° |
| C15 | C20 | C19 | 120.5° | 120.0° |
| C20 | C15 | H16 | 119.8° | 119.9° |
| C15 | C20 | H19 | 119.8° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.2° |
| C16 | C15 | H16 | 119.7° | 119.9° |
| C15 | C16 | H17 | 120.0° | 119.9° |
| C20 | C19 | N6 | 121.9° | 120.1° |
| C20 | C19 | C18 | 118.7° | 119.8° |
| C19 | C20 | H19 | 119.7° | 120.0° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C17 | C16 | H17 | 120.0° | 119.9° |
| C16 | C17 | H18 | 119.7° | 120.0° |
| O4 | C21 | N6 | 122.4° | 120.0° |
| O4 | C21 | C22 | 122.6° | 120.0° |
| N6 | C19 | C18 | 119.4° | 120.0° |
| C19 | N6 | C21 | 125.9° | 120.0° |
| C19 | N6 | H5 | 117.1° | 120.0° |
| C19 | C18 | C17 | 119.8° | 119.8° |
| C19 | C18 | N5 | 118.3° | 120.1° |
| C17 | C18 | N5 | 121.8° | 120.1° |
| C18 | C17 | H18 | 119.7° | 120.0° |
| N6 | C21 | C22 | 115.0° | 120.0° |
| C21 | N6 | H5 | 117.1° | 120.0° |
| C21 | C22 | C26 | 113.7° | 109.4° |
| C21 | C22 | H20 | 108.4° | 109.5° |
| C21 | C22 | H21 | 108.4° | 109.5° |
| C18 | N5 | C14 | 131.3° | 120.0° |
| C18 | N5 | H4 | 114.3° | 120.0° |
| C26 | C22 | H20 | 108.4° | 109.5° |
| C26 | C22 | H21 | 108.4° | 109.5° |
| C22 | C26 | H28 | 109.5° | 109.5° |
| C22 | C26 | H29 | 109.4° | 109.5° |
| C22 | C26 | H30 | 109.5° | 109.5° |
| C27 | N7 | C30 | 110.0° | 111.3° |
| C27 | N7 | C25 | 110.2° | 110.9° |
| N7 | C27 | C28 | 111.4° | 109.3° |
| N7 | C27 | H31 | 109.0° | 109.5° |
| N7 | C27 | H32 | 109.0° | 109.6° |
| C30 | N7 | C25 | 110.6° | 111.0° |
| N7 | C30 | C29 | 110.8° | 109.4° |
| N7 | C30 | H37 | 109.1° | 109.5° |
| N7 | C30 | H38 | 109.2° | 109.5° |
| N7 | C25 | C24 | 113.4° | 109.4° |
| N7 | C25 | H26 | 108.5° | 109.5° |
| N7 | C25 | H27 | 108.5° | 109.4° |
| C27 | C28 | N8 | 109.3° | 108.5° |
| C28 | C27 | H31 | 109.0° | 109.5° |
| C28 | C27 | H32 | 109.0° | 109.5° |
| C27 | C28 | H33 | 109.5° | 109.6° |
| C27 | C28 | H34 | 109.5° | 109.6° |
| C30 | C29 | N8 | 110.1° | 108.5° |
| C30 | C29 | H35 | 109.3° | 109.6° |
| C30 | C29 | H36 | 109.3° | 109.7° |
| C29 | C30 | H37 | 109.1° | 109.5° |
| C29 | C30 | H38 | 109.1° | 109.5° |
| C29 | N8 | C28 | 112.2° | 118.3° |
| C29 | N8 | C31 | 126.2° | 120.8° |
| N8 | C29 | H35 | 109.3° | 109.6° |
| N8 | C29 | H36 | 109.3° | 109.7° |
| N5 | C14 | N4 | 119.9° | 119.0° |
| N5 | C14 | N3 | 113.7° | 118.9° |
| C14 | N5 | H4 | 114.3° | 120.0° |
| C25 | C24 | C23 | 114.3° | 109.4° |
| C25 | C24 | H24 | 108.3° | 109.5° |
| C25 | C24 | H25 | 108.2° | 109.4° |
| C24 | C25 | H26 | 108.4° | 109.5° |
| C24 | C25 | H27 | 108.5° | 109.5° |
| C24 | C23 | N1 | 113.3° | 109.4° |
| C24 | C23 | H22 | 108.5° | 109.5° |
| C24 | C23 | H23 | 108.5° | 109.5° |
| C23 | C24 | H24 | 108.2° | 109.5° |
| C23 | C24 | H25 | 108.3° | 109.5° |
| C28 | N8 | C31 | 121.5° | 120.9° |
| N8 | C28 | H33 | 109.5° | 109.6° |
| N8 | C28 | H34 | 109.5° | 109.7° |
| N8 | C31 | O5 | 119.3° | 120.0° |
| N8 | C31 | C32 | 119.5° | 120.0° |
| C23 | N1 | C10 | 120.9° | 118.5° |
| C23 | N1 | C11 | 119.3° | 118.4° |
| N1 | C23 | H22 | 108.5° | 109.4° |
| N1 | C23 | H23 | 108.5° | 109.5° |
| C14 | N4 | C10 | 117.9° | 120.3° |
| N4 | C14 | N3 | 126.4° | 122.1° |
| N4 | C10 | N1 | 119.1° | 121.6° |
| N4 | C10 | C9 | 119.8° | 118.6° |
| C14 | N3 | C13 | 117.4° | 120.8° |
| O5 | C31 | C32 | 121.2° | 120.0° |
| C31 | C32 | C33 | 112.1° | 109.5° |
| C31 | C32 | H39 | 108.8° | 109.5° |
| C31 | C32 | H40 | 108.8° | 109.5° |
| N3 | C13 | C9 | 119.7° | 118.6° |
| N3 | C13 | H15 | 120.2° | 120.7° |
| N1 | C10 | C9 | 121.1° | 119.8° |
| C10 | N1 | C11 | 119.8° | 123.0° |
| C10 | C9 | C13 | 118.8° | 119.6° |
| C10 | C9 | C12 | 120.4° | 118.2° |
| N1 | C11 | O3 | 119.7° | 118.4° |
| N1 | C11 | N2 | 118.3° | 123.2° |
| C33 | C32 | H39 | 108.8° | 109.5° |
| C33 | C32 | H40 | 108.8° | 109.4° |
| C32 | C33 | H41 | 109.5° | 109.4° |
| C32 | C33 | H42 | 109.5° | 109.5° |
| C32 | C33 | H43 | 109.5° | 109.5° |
| C13 | C9 | C12 | 120.7° | 122.3° |
| C9 | C13 | H15 | 120.2° | 120.7° |
| C9 | C12 | N2 | 111.7° | 116.6° |
| C9 | C12 | H13 | 108.9° | 108.0° |
| C9 | C12 | H14 | 108.9° | 108.0° |
| O3 | C11 | N2 | 121.9° | 118.4° |
| C11 | N2 | C12 | 124.6° | 119.1° |
| C11 | N2 | C2 | 121.1° | 120.4° |
| C12 | N2 | C2 | 114.2° | 120.5° |
| N2 | C12 | H13 | 108.9° | 108.1° |
| N2 | C12 | H14 | 108.9° | 108.0° |
| N2 | C2 | C3 | 120.3° | 120.0° |
| N2 | C2 | C1 | 119.8° | 120.0° |
| C3 | C2 | C1 | 119.6° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | H2 | 120.0° | 120.0° |
| C2 | C1 | C6 | 120.4° | 119.9° |
| C2 | C1 | H1 | 119.8° | 120.0° |
| C3 | C4 | O2 | 117.5° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C4 | C3 | H2 | 120.0° | 120.0° |
| C1 | C6 | O1 | 117.4° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| O2 | C4 | C5 | 122.0° | 120.0° |
| C4 | O2 | C7 | 118.6° | 117.0° |
| C4 | C5 | C6 | 119.2° | 120.0° |
| C4 | C5 | H3 | 120.4° | 120.0° |
| O1 | C6 | C5 | 122.4° | 120.0° |
| C6 | O1 | C8 | 117.7° | 117.0° |
| C6 | C5 | H3 | 120.4° | 120.0° |
| O2 | C7 | H6 | 109.5° | 109.5° |
| O2 | C7 | H7 | 109.5° | 109.5° |
| O2 | C7 | H8 | 109.5° | 109.5° |
| O1 | C8 | H10 | 109.5° | 109.5° |
| O1 | C8 | H11 | 109.4° | 109.4° |
| O1 | C8 | H12 | 109.5° | 109.5° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H6 | C7 | H8 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.4° |
| H10 | C8 | H12 | 109.4° | 109.5° |
| H11 | C8 | H12 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 107.8° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H30 | 109.4° | 109.4° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.4° | 109.8° |
| H35 | C29 | H36 | 109.5° | 109.8° |
| H37 | C30 | H38 | 109.4° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.4° | 109.4° |
| H41 | C33 | H43 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C15 | C16 | H16 | 180.0° | 179.8° |
| C15 | C20 | C19 | H19 | 180.0° | 180.0° |
| C20 | C15 | C16 | C17 | 0.3° | 0.1° |
| C15 | C20 | C19 | N6 | 179.4° | 180.0° |
| C15 | C20 | C19 | C18 | 1.0° | 0.0° |
| C20 | C15 | C16 | H17 | 179.7° | 180.0° |
| C16 | C15 | C20 | C19 | 0.3° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 2.1° | 0.0° |
| C15 | C16 | C17 | H18 | 177.9° | 180.0° |
| C16 | C15 | C20 | H19 | 179.7° | 180.0° |
| C20 | C19 | N6 | C18 | 178.4° | 180.0° |
| C20 | C19 | C18 | C17 | 2.8° | 0.0° |
| C20 | C19 | N6 | C21 | 44.6° | 24.8° |
| C20 | C19 | C18 | N5 | 179.1° | 180.0° |
| C20 | C19 | N6 | H5 | 135.5° | 155.2° |
| C19 | C20 | C15 | H16 | 179.7° | 179.8° |
| C16 | C17 | C18 | C19 | 3.4° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C16 | C17 | C18 | N5 | 179.6° | 180.0° |
| C17 | C16 | C15 | H16 | 179.7° | 179.8° |
| O4 | C21 | N6 | C19 | 3.1° | 5.7° |
| O4 | C21 | N6 | C22 | 179.2° | 180.0° |
| O4 | C21 | C22 | C26 | 111.1° | 0.0° |
| O4 | C21 | N6 | H5 | 176.9° | 174.3° |
| O4 | C21 | C22 | H20 | 128.2° | 120.0° |
| O4 | C21 | C22 | H21 | 9.5° | 120.0° |
| N6 | C19 | C18 | C17 | 178.8° | 180.0° |
| C19 | N6 | C21 | H5 | 180.0° | 180.0° |
| C19 | N6 | C21 | C22 | 177.7° | 174.3° |
| N6 | C19 | C18 | N5 | 2.5° | 0.0° |
| N6 | C19 | C20 | H19 | 0.7° | 0.0° |
| C19 | C18 | C17 | N5 | 176.2° | 180.0° |
| C18 | C19 | N6 | C21 | 137.1° | 155.2° |
| C19 | C18 | N5 | C14 | 125.1° | 145.5° |
| C19 | C18 | N5 | H4 | 55.0° | 34.6° |
| C18 | C19 | N6 | H5 | 42.9° | 24.8° |
| C19 | C18 | C17 | H18 | 176.6° | 180.0° |
| C18 | C19 | C20 | H19 | 179.0° | 180.0° |
| C17 | C18 | N5 | C14 | 51.2° | 34.5° |
| C17 | C18 | N5 | H4 | 128.8° | 145.4° |
| C18 | C17 | C16 | H17 | 177.9° | 180.0° |
| N6 | C21 | C22 | C26 | 68.0° | 180.0° |
| N6 | C21 | C22 | H20 | 52.6° | 60.0° |
| N6 | C21 | C22 | H21 | 171.4° | 60.0° |
| C21 | C22 | C26 | H20 | 120.6° | 120.0° |
| C21 | C22 | C26 | H21 | 120.6° | 120.0° |
| C22 | C21 | N6 | H5 | 2.3° | 5.7° |
| C21 | C22 | H20 | H21 | 118.1° | 120.0° |
| C21 | C22 | C26 | H28 | 180.0° | 180.0° |
| C21 | C22 | C26 | H29 | 60.0° | 60.0° |
| C21 | C22 | C26 | H30 | 60.0° | 60.0° |
| C18 | N5 | C14 | H4 | 180.0° | 179.9° |
| C18 | N5 | C14 | N4 | 15.2° | 174.7° |
| C18 | N5 | C14 | N3 | 165.1° | 5.6° |
| N5 | C18 | C17 | H18 | 0.4° | 0.0° |
| C26 | C22 | H20 | H21 | 118.1° | 120.0° |
| C22 | C26 | H28 | H29 | 120.0° | 120.1° |
| C22 | C26 | H28 | H30 | 120.0° | 120.0° |
| C22 | C26 | H29 | H30 | 120.0° | 120.1° |
| C27 | N7 | C30 | C25 | 122.0° | 124.1° |
| N7 | C27 | C28 | H31 | 120.3° | 119.9° |
| N7 | C27 | C28 | H32 | 120.3° | 120.0° |
| C27 | N7 | C30 | C29 | 17.2° | 63.1° |
| C27 | N7 | C25 | C24 | 160.6° | 170.0° |
| N7 | C27 | C28 | N8 | 65.6° | 53.9° |
| C27 | N7 | C25 | H26 | 78.8° | 70.0° |
| C27 | N7 | C25 | H27 | 40.1° | 50.0° |
| N7 | C27 | H31 | H32 | 119.1° | 120.2° |
| N7 | C27 | C28 | H33 | 174.4° | 173.6° |
| N7 | C27 | C28 | H34 | 54.4° | 65.9° |
| C27 | N7 | C30 | H37 | 103.0° | 56.8° |
| C27 | N7 | C30 | H38 | 137.5° | 176.9° |
| C30 | N7 | C27 | C28 | 44.9° | 63.1° |
| N7 | C30 | C29 | H37 | 120.2° | 120.0° |
| N7 | C30 | C29 | H38 | 120.2° | 120.0° |
| N7 | C30 | C29 | N8 | 64.5° | 53.8° |
| C30 | N7 | C25 | C24 | 77.5° | 65.7° |
| C30 | N7 | C25 | H26 | 43.0° | 54.3° |
| C30 | N7 | C25 | H27 | 161.9° | 174.3° |
| C30 | N7 | C27 | H31 | 75.4° | 177.0° |
| C30 | N7 | C27 | H32 | 165.1° | 56.8° |
| N7 | C30 | C29 | H35 | 175.4° | 65.8° |
| N7 | C30 | C29 | H36 | 55.6° | 173.6° |
| N7 | C30 | H37 | H38 | 119.4° | 120.0° |
| C25 | N7 | C27 | C28 | 77.4° | 172.7° |
| C25 | N7 | C30 | C29 | 139.2° | 172.8° |
| N7 | C25 | C24 | H26 | 120.6° | 120.0° |
| N7 | C25 | C24 | H27 | 120.6° | 120.0° |
| N7 | C25 | C24 | C23 | 105.3° | 180.0° |
| N7 | C25 | C24 | H24 | 134.0° | 60.0° |
| N7 | C25 | C24 | H25 | 15.5° | 60.0° |
| N7 | C25 | H26 | H27 | 118.2° | 120.0° |
| C25 | N7 | C27 | H31 | 162.4° | 52.8° |
| C25 | N7 | C27 | H32 | 42.9° | 67.3° |
| C25 | N7 | C30 | H37 | 19.0° | 67.2° |
| C25 | N7 | C30 | H38 | 100.6° | 52.8° |
| C27 | C28 | N8 | C29 | 17.2° | 51.2° |
| C27 | C28 | N8 | H33 | 120.0° | 119.7° |
| C27 | C28 | N8 | H34 | 120.0° | 119.7° |
| C27 | C28 | N8 | C31 | 166.7° | 128.8° |
| C28 | C27 | H31 | H32 | 119.1° | 120.0° |
| C27 | C28 | H33 | H34 | 120.0° | 120.5° |
| C30 | C29 | N8 | H35 | 120.1° | 119.6° |
| C30 | C29 | N8 | H36 | 120.1° | 119.8° |
| C30 | C29 | N8 | C28 | 43.8° | 51.2° |
| C30 | C29 | N8 | C31 | 132.2° | 128.9° |
| C30 | C29 | H35 | H36 | 119.7° | 120.5° |
| C29 | C30 | H37 | H38 | 119.4° | 120.1° |
| C29 | N8 | C28 | C31 | 176.1° | 179.9° |
| C29 | N8 | C31 | O5 | 93.9° | 180.0° |
| C29 | N8 | C31 | C32 | 87.8° | 0.1° |
| C29 | N8 | C28 | H33 | 137.1° | 170.9° |
| C29 | N8 | C28 | H34 | 102.8° | 68.5° |
| N8 | C29 | H35 | H36 | 119.7° | 120.6° |
| N8 | C29 | C30 | H37 | 55.7° | 66.2° |
| N8 | C29 | C30 | H38 | 175.2° | 173.8° |
| N5 | C14 | N4 | N3 | 179.6° | 179.8° |
| N5 | C14 | N4 | C10 | 179.5° | 180.0° |
| N5 | C14 | N3 | C13 | 179.4° | 180.0° |
| C25 | C24 | C23 | H24 | 120.7° | 120.0° |
| C25 | C24 | C23 | H25 | 120.7° | 120.0° |
| C25 | C24 | C23 | N1 | 83.6° | 180.0° |
| C25 | C24 | C23 | H22 | 155.8° | 60.1° |
| C25 | C24 | C23 | H23 | 36.9° | 60.0° |
| C25 | C24 | H24 | H25 | 117.8° | 119.9° |
| C24 | C25 | H26 | H27 | 118.2° | 120.1° |
| C24 | C23 | N1 | H22 | 120.6° | 119.9° |
| C24 | C23 | N1 | H23 | 120.5° | 120.0° |
| C24 | C23 | N1 | C10 | 72.9° | 89.7° |
| C24 | C23 | N1 | C11 | 106.7° | 90.0° |
| C24 | C23 | H22 | H23 | 118.2° | 120.0° |
| C23 | C24 | H24 | H25 | 117.8° | 120.1° |
| C23 | C24 | C25 | H26 | 15.3° | 60.0° |
| C23 | C24 | C25 | H27 | 134.2° | 60.0° |
| C28 | N8 | C31 | O5 | 90.5° | 0.1° |
| C28 | N8 | C31 | C32 | 87.7° | 180.0° |
| N8 | C28 | C27 | H31 | 54.7° | 173.8° |
| N8 | C28 | C27 | H32 | 174.1° | 66.1° |
| N8 | C28 | H33 | H34 | 120.1° | 120.5° |
| C28 | N8 | C29 | H35 | 163.9° | 68.5° |
| C28 | N8 | C29 | H36 | 76.3° | 171.0° |
| N8 | C31 | O5 | C32 | 178.2° | 180.0° |
| N8 | C31 | C32 | C33 | 76.4° | 180.0° |
| C31 | N8 | C28 | H33 | 46.7° | 9.2° |
| C31 | N8 | C28 | H34 | 73.3° | 111.4° |
| C31 | N8 | C29 | H35 | 12.1° | 111.5° |
| C31 | N8 | C29 | H36 | 107.7° | 9.1° |
| N8 | C31 | C32 | H39 | 163.2° | 60.0° |
| N8 | C31 | C32 | H40 | 44.0° | 60.1° |
| C23 | N1 | C10 | N4 | 16.2° | 0.3° |
| C23 | N1 | C10 | C11 | 179.5° | 179.7° |
| C23 | N1 | C10 | C9 | 164.1° | 179.7° |
| C23 | N1 | C11 | O3 | 13.3° | 0.2° |
| C23 | N1 | C11 | N2 | 164.6° | 179.7° |
| N1 | C23 | H22 | H23 | 118.2° | 120.1° |
| N1 | C23 | C24 | H24 | 37.1° | 60.0° |
| N1 | C23 | C24 | H25 | 155.7° | 60.0° |
| N4 | C14 | N3 | C13 | 1.0° | 0.2° |
| C14 | N4 | C10 | N1 | 179.7° | 179.9° |
| C14 | N4 | C10 | C9 | 0.6° | 0.1° |
| N4 | C14 | N5 | H4 | 164.8° | 5.2° |
| C10 | N4 | C14 | N3 | 0.9° | 0.2° |
| N4 | C10 | N1 | C9 | 179.7° | 180.0° |
| N4 | C10 | N1 | C11 | 163.3° | 180.0° |
| N4 | C10 | C9 | C13 | 0.4° | 0.1° |
| N4 | C10 | C9 | C12 | 179.9° | 180.0° |
| C14 | N3 | C13 | C9 | 0.7° | 0.1° |
| N3 | C14 | N5 | H4 | 14.9° | 174.5° |
| C14 | N3 | C13 | H15 | 179.3° | 180.0° |
| O5 | C31 | C32 | C33 | 105.4° | 0.0° |
| O5 | C31 | C32 | H39 | 15.0° | 120.0° |
| O5 | C31 | C32 | H40 | 134.2° | 120.0° |
| C31 | C32 | C33 | H39 | 120.4° | 120.0° |
| C31 | C32 | C33 | H40 | 120.4° | 120.0° |
| C31 | C32 | H39 | H40 | 118.8° | 120.0° |
| C31 | C32 | C33 | H41 | 180.0° | 60.0° |
| C31 | C32 | C33 | H42 | 60.0° | 60.0° |
| C31 | C32 | C33 | H43 | 60.0° | 180.0° |
| N3 | C13 | C9 | C10 | 0.5° | 0.0° |
| N3 | C13 | C9 | H15 | 180.0° | 179.9° |
| N3 | C13 | C9 | C12 | 179.9° | 180.0° |
| N1 | C10 | C9 | C13 | 179.9° | 180.0° |
| N1 | C10 | C9 | C12 | 0.3° | 0.0° |
| C10 | N1 | C11 | O3 | 166.2° | 180.0° |
| C10 | N1 | C11 | N2 | 15.9° | 0.0° |
| C10 | N1 | C23 | H22 | 47.7° | 30.2° |
| C10 | N1 | C23 | H23 | 166.6° | 150.3° |
| C9 | C10 | N1 | C11 | 16.3° | 0.0° |
| C10 | C9 | C13 | C12 | 179.7° | 179.9° |
| C10 | C9 | C12 | N2 | 15.2° | 0.1° |
| C10 | C9 | C12 | H13 | 135.6° | 121.8° |
| C10 | C9 | C12 | H14 | 105.1° | 121.9° |
| C10 | C9 | C13 | H15 | 179.6° | 179.9° |
| N1 | C11 | O3 | N2 | 177.8° | 179.9° |
| N1 | C11 | N2 | C12 | 1.1° | 0.0° |
| N1 | C11 | N2 | C2 | 179.8° | 179.9° |
| C11 | N1 | C23 | H22 | 132.8° | 150.0° |
| C11 | N1 | C23 | H23 | 13.9° | 30.0° |
| C33 | C32 | H39 | H40 | 118.8° | 120.0° |
| C32 | C33 | H41 | H42 | 120.0° | 120.0° |
| C32 | C33 | H41 | H43 | 120.0° | 120.0° |
| C32 | C33 | H42 | H43 | 120.0° | 120.0° |
| C13 | C9 | C12 | N2 | 165.1° | 180.0° |
| C13 | C9 | C12 | H13 | 44.8° | 58.1° |
| C13 | C9 | C12 | H14 | 74.6° | 58.2° |
| C9 | C12 | N2 | C11 | 16.0° | 0.0° |
| C9 | C12 | N2 | H13 | 120.3° | 121.8° |
| C9 | C12 | N2 | H14 | 120.4° | 121.8° |
| C9 | C12 | N2 | C2 | 165.2° | 180.0° |
| C9 | C12 | H13 | H14 | 119.0° | 116.5° |
| C12 | C9 | C13 | H15 | 0.1° | 0.1° |
| O3 | C11 | N2 | C12 | 176.7° | 180.0° |
| O3 | C11 | N2 | C2 | 2.0° | 0.0° |
| C11 | N2 | C12 | C2 | 178.8° | 180.0° |
| C11 | N2 | C2 | C3 | 83.4° | 114.9° |
| C11 | N2 | C2 | C1 | 103.4° | 65.2° |
| C11 | N2 | C12 | H13 | 136.3° | 121.8° |
| C11 | N2 | C12 | H14 | 104.3° | 121.8° |
| C12 | N2 | C2 | C3 | 95.4° | 65.2° |
| C12 | N2 | C2 | C1 | 77.8° | 114.8° |
| N2 | C12 | H13 | H14 | 119.0° | 116.5° |
| N2 | C2 | C3 | C1 | 173.3° | 179.9° |
| N2 | C2 | C3 | C4 | 175.5° | 180.0° |
| N2 | C2 | C1 | C6 | 176.6° | 180.0° |
| N2 | C2 | C1 | H1 | 3.4° | 0.2° |
| N2 | C2 | C3 | H2 | 4.5° | 0.1° |
| C2 | N2 | C12 | H13 | 44.9° | 58.2° |
| C2 | N2 | C12 | H14 | 74.4° | 58.2° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 3.3° | 0.0° |
| C2 | C3 | C4 | O2 | 178.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 176.7° | 179.7° |
| C1 | C2 | C3 | C4 | 2.2° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | O1 | 179.5° | 179.7° |
| C2 | C1 | C6 | C5 | 2.8° | 0.0° |
| C1 | C2 | C3 | H2 | 177.8° | 180.0° |
| C3 | C4 | O2 | C5 | 179.1° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C3 | C4 | O2 | C7 | 169.8° | 180.0° |
| C3 | C4 | C5 | H3 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 1.3° | 0.1° |
| C1 | C6 | O1 | C5 | 177.6° | 179.7° |
| C1 | C6 | O1 | C8 | 162.5° | 180.0° |
| C1 | C6 | C5 | H3 | 178.7° | 180.0° |
| O2 | C4 | C5 | C6 | 178.9° | 180.0° |
| O2 | C4 | C3 | H2 | 1.6° | 0.0° |
| O2 | C4 | C5 | H3 | 1.1° | 0.1° |
| C4 | O2 | C7 | H6 | 180.0° | 180.0° |
| C4 | O2 | C7 | H7 | 60.0° | 60.0° |
| C4 | O2 | C7 | H8 | 60.0° | 60.0° |
| C4 | C5 | C6 | O1 | 178.8° | 179.7° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | O2 | C7 | 11.1° | 0.0° |
| C5 | C4 | C3 | H2 | 179.3° | 179.9° |
| O1 | C6 | C1 | H1 | 0.5° | 0.0° |
| O1 | C6 | C5 | H3 | 1.2° | 0.2° |
| C6 | O1 | C8 | H10 | 180.0° | 59.9° |
| C6 | O1 | C8 | H11 | 60.0° | 60.0° |
| C6 | O1 | C8 | H12 | 60.0° | 180.0° |
| C5 | C6 | O1 | C8 | 15.1° | 0.3° |
| C5 | C6 | C1 | H1 | 177.2° | 179.8° |
| O2 | C7 | H6 | H7 | 120.0° | 120.0° |
| O2 | C7 | H6 | H8 | 120.0° | 120.0° |
| O2 | C7 | H7 | H8 | 120.0° | 120.0° |
| O1 | C8 | H10 | H11 | 120.0° | 119.9° |
| O1 | C8 | H10 | H12 | 120.0° | 120.1° |
| O1 | C8 | H11 | H12 | 120.0° | 120.0° |
| H6 | C7 | H7 | H8 | 120.0° | 120.0° |
| H10 | C8 | H11 | H12 | 120.0° | 120.0° |
| H16 | C15 | C16 | H17 | 0.3° | 0.2° |
| H16 | C15 | C20 | H19 | 0.3° | 0.2° |
| H17 | C16 | C17 | H18 | 2.1° | 0.0° |
| H20 | C22 | C26 | H28 | 59.3° | 60.0° |
| H20 | C22 | C26 | H29 | 179.4° | 180.0° |
| H20 | C22 | C26 | H30 | 60.6° | 59.9° |
| H21 | C22 | C26 | H28 | 59.4° | 60.0° |
| H21 | C22 | C26 | H29 | 60.6° | 60.0° |
| H21 | C22 | C26 | H30 | 179.4° | 180.0° |
| H22 | C23 | C24 | H24 | 83.5° | 179.9° |
| H22 | C23 | C24 | H25 | 35.1° | 59.9° |
| H23 | C23 | C24 | H24 | 157.7° | 60.0° |
| H23 | C23 | C24 | H25 | 83.8° | 179.9° |
| H24 | C24 | C25 | H26 | 105.4° | 60.0° |
| H24 | C24 | C25 | H27 | 13.5° | 180.0° |
| H25 | C24 | C25 | H26 | 136.1° | 180.0° |
| H25 | C24 | C25 | H27 | 105.1° | 60.0° |
| H28 | C26 | H29 | H30 | 120.0° | 119.9° |
| H31 | C27 | C28 | H33 | 65.3° | 66.5° |
| H31 | C27 | C28 | H34 | 174.7° | 54.0° |
| H32 | C27 | C28 | H33 | 54.1° | 53.6° |
| H32 | C27 | C28 | H34 | 65.9° | 174.1° |
| H35 | C29 | C30 | H37 | 64.4° | 174.2° |
| H35 | C29 | C30 | H38 | 55.1° | 54.1° |
| H36 | C29 | C30 | H37 | 175.8° | 53.6° |
| H36 | C29 | C30 | H38 | 64.7° | 66.4° |
| H39 | C32 | C33 | H41 | 59.6° | 180.0° |
| H39 | C32 | C33 | H42 | 179.6° | 60.0° |
| H39 | C32 | C33 | H43 | 60.4° | 60.0° |
| H40 | C32 | C33 | H41 | 59.6° | 60.0° |
| H40 | C32 | C33 | H42 | 60.4° | 179.9° |
| H40 | C32 | C33 | H43 | 179.6° | 60.0° |
| H41 | C33 | H42 | H43 | 120.0° | 120.0° |
