RIE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | N3 | sing | 1.36Å | 1.34Å | Aromatic |
| N3 | N4 | sing | 1.28Å | 1.39Å | Aromatic |
| N3 | C27 | sing | 1.40Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.35Å | 1.50Å | Aromatic |
| C7 | C4 | sing | 1.51Å | 1.51Å | |
| C6 | C5 | sing | 1.51Å | 1.49Å | |
| C5 | C2 | sing | 1.42Å | 1.50Å | Aromatic |
| C12 | C6 | sing | 1.53Å | 1.53Å | |
| C13 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C18 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| O2 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | C2 | sing | 1.48Å | 1.49Å | |
| C3 | N2 | sing | 1.35Å | 1.34Å | |
| C1 | N2 | sing | 1.46Å | 1.47Å | |
| N2 | C14 | sing | 1.46Å | 1.46Å | |
| C32 | C1 | sing | 1.51Å | 1.49Å | |
| C1 | C16 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C29 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C2 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C27 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | F1 | sing | 1.35Å | 1.34Å | |
| O4 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C11 | C35 | sing | 1.53Å | 1.53Å | |
| C11 | O3 | sing | 1.43Å | 1.43Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C35 | C36 | sing | 1.51Å | 1.51Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | O6 | doub | 1.21Å | 1.25Å | |
| C36 | O7 | sing | 1.34Å | 1.25Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N3 | N4 | 116.5° | 110.1° |
| C4 | N3 | C27 | 125.5° | 124.9° |
| N3 | C4 | C5 | 103.6° | 107.1° |
| N3 | C4 | C7 | 127.1° | 126.5° |
| N4 | N3 | C27 | 118.0° | 124.9° |
| N3 | N4 | C2 | 106.3° | 110.1° |
| N3 | C27 | C21 | 121.9° | 120.1° |
| N3 | C27 | C18 | 122.4° | 120.1° |
| C5 | C4 | C7 | 129.3° | 126.4° |
| C4 | C5 | C6 | 129.9° | 127.2° |
| C4 | C5 | C2 | 104.3° | 105.6° |
| C4 | C7 | C8 | 107.3° | 109.5° |
| C4 | C7 | H7 | 110.2° | 109.5° |
| C4 | C7 | H7A | 110.6° | 109.5° |
| C6 | C5 | C2 | 125.8° | 127.2° |
| C5 | C6 | C12 | 112.7° | 109.5° |
| C5 | C6 | C13 | 109.9° | 109.5° |
| C5 | C6 | H6 | 107.6° | 109.5° |
| C5 | C2 | C3 | 125.1° | 126.4° |
| C5 | C2 | N4 | 109.2° | 107.1° |
| C12 | C6 | C13 | 111.5° | 109.5° |
| C12 | C6 | H6 | 106.0° | 109.5° |
| C6 | C12 | H12 | 109.5° | 109.5° |
| C6 | C12 | H12A | 109.4° | 109.5° |
| C6 | C12 | H12B | 109.5° | 109.5° |
| C13 | C6 | H6 | 108.9° | 109.5° |
| C6 | C13 | H13 | 109.5° | 109.5° |
| C6 | C13 | H13A | 109.5° | 109.4° |
| C6 | C13 | H13B | 109.4° | 109.5° |
| C8 | C7 | H7 | 110.2° | 109.5° |
| C8 | C7 | H7A | 110.7° | 109.5° |
| C7 | C8 | C9 | 112.5° | 109.5° |
| C7 | C8 | H8 | 108.5° | 109.4° |
| C7 | C8 | H8A | 107.8° | 109.5° |
| H7 | C7 | H7A | 107.8° | 109.5° |
| C9 | C8 | H8 | 108.5° | 109.5° |
| C9 | C8 | H8A | 107.8° | 109.5° |
| C8 | C9 | C10 | 110.7° | 109.5° |
| C8 | C9 | O4 | 108.7° | 109.4° |
| C8 | C9 | H9 | 108.8° | 109.5° |
| H8 | C8 | H8A | 111.8° | 109.4° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H10 | 108.1° | 109.5° |
| C9 | C10 | H10A | 107.1° | 109.5° |
| C10 | C9 | O4 | 108.2° | 109.5° |
| C10 | C9 | H9 | 109.2° | 109.5° |
| C11 | C10 | H10 | 108.1° | 109.5° |
| C11 | C10 | H10A | 107.1° | 109.4° |
| C10 | C11 | C35 | 108.7° | 109.5° |
| C10 | C11 | O3 | 110.4° | 109.4° |
| C10 | C11 | H11 | 109.4° | 109.4° |
| H10 | C10 | H10A | 112.9° | 109.4° |
| H13 | C13 | H13A | 109.5° | 109.4° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
| C18 | C15 | C30 | 119.9° | 120.1° |
| C18 | C15 | H15 | 120.1° | 120.0° |
| C15 | C18 | C27 | 122.6° | 120.0° |
| C15 | C18 | H18 | 118.7° | 120.0° |
| C30 | C15 | H15 | 120.1° | 120.0° |
| C15 | C30 | C24 | 119.4° | 120.1° |
| C15 | C30 | F1 | 120.4° | 120.0° |
| C20 | C17 | C32 | 119.9° | 120.0° |
| C20 | C17 | H17 | 120.0° | 120.0° |
| C17 | C20 | C29 | 120.0° | 120.0° |
| C17 | C20 | H20 | 120.0° | 120.0° |
| C32 | C17 | H17 | 120.0° | 120.0° |
| C17 | C32 | C26 | 119.7° | 120.0° |
| C17 | C32 | C1 | 122.4° | 120.0° |
| C29 | C20 | H20 | 120.0° | 120.0° |
| C20 | C29 | C23 | 120.4° | 120.0° |
| C20 | C29 | H29 | 119.8° | 120.0° |
| C27 | C21 | C24 | 123.0° | 119.9° |
| C27 | C21 | H21 | 118.5° | 120.0° |
| C21 | C27 | C18 | 115.6° | 119.9° |
| C24 | C21 | H21 | 118.5° | 120.0° |
| C21 | C24 | C30 | 119.5° | 120.1° |
| C21 | C24 | H24 | 120.3° | 120.0° |
| C30 | C24 | H24 | 120.2° | 120.0° |
| C24 | C30 | F1 | 120.2° | 119.9° |
| C23 | C26 | C32 | 120.5° | 120.0° |
| C23 | C26 | H26 | 119.8° | 120.0° |
| C26 | C23 | C29 | 119.5° | 120.0° |
| C26 | C23 | H23 | 120.2° | 120.0° |
| C32 | C26 | H26 | 119.8° | 120.0° |
| C26 | C32 | C1 | 117.9° | 120.0° |
| O2 | C3 | C2 | 117.2° | 120.0° |
| O2 | C3 | N2 | 122.3° | 120.0° |
| C2 | C3 | N2 | 120.4° | 120.0° |
| C3 | C2 | N4 | 125.6° | 126.5° |
| C3 | N2 | C1 | 117.9° | 120.0° |
| C3 | N2 | C14 | 124.1° | 120.0° |
| C1 | N2 | C14 | 118.0° | 120.0° |
| N2 | C1 | C32 | 116.1° | 109.4° |
| N2 | C1 | C16 | 110.6° | 109.5° |
| N2 | C1 | H1 | 103.9° | 109.5° |
| N2 | C14 | H14 | 109.5° | 109.5° |
| N2 | C14 | H14A | 109.5° | 109.5° |
| N2 | C14 | H14B | 109.4° | 109.5° |
| C32 | C1 | C16 | 109.4° | 109.5° |
| C32 | C1 | H1 | 105.3° | 109.5° |
| C16 | C1 | H1 | 111.4° | 109.5° |
| C1 | C16 | H16 | 109.5° | 109.4° |
| C1 | C16 | H16A | 109.5° | 109.5° |
| C1 | C16 | H16B | 109.4° | 109.4° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| H16 | C16 | H16B | 109.5° | 109.5° |
| H16A | C16 | H16B | 109.5° | 109.5° |
| C29 | C23 | H23 | 120.3° | 120.0° |
| C23 | C29 | H29 | 119.8° | 120.0° |
| H14 | C14 | H14A | 109.5° | 109.4° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.4° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| C27 | C18 | H18 | 118.7° | 120.0° |
| O4 | C9 | H9 | 111.2° | 109.5° |
| C9 | O4 | HO4 | 109.5° | 114.0° |
| C35 | C11 | O3 | 109.5° | 109.5° |
| C35 | C11 | H11 | 110.3° | 109.5° |
| C11 | C35 | C36 | 110.6° | 109.4° |
| C11 | C35 | H35 | 109.1° | 109.5° |
| C11 | C35 | H35A | 108.9° | 109.5° |
| O3 | C11 | H11 | 108.5° | 109.5° |
| C11 | O3 | HO3 | 109.5° | 114.0° |
| C36 | C35 | H35 | 109.1° | 109.4° |
| C36 | C35 | H35A | 108.8° | 109.5° |
| C35 | C36 | O6 | 118.7° | 120.0° |
| C35 | C36 | O7 | 118.6° | 120.0° |
| H35 | C35 | H35A | 110.4° | 109.5° |
| O6 | C36 | O7 | 122.7° | 120.0° |
| C36 | O7 | HO7 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N3 | N4 | C27 | 179.8° | 179.8° |
| N3 | C4 | C5 | C7 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 180.0° | 180.0° |
| N3 | C4 | C5 | C2 | 0.6° | 0.0° |
| N3 | C4 | C7 | C8 | 95.1° | 84.7° |
| N3 | C4 | C7 | H7 | 24.9° | 35.3° |
| N3 | C4 | C7 | H7A | 144.1° | 155.3° |
| C4 | N3 | C27 | C21 | 91.9° | 132.9° |
| C4 | N3 | N4 | C2 | 0.7° | 0.0° |
| C4 | N3 | C27 | C18 | 90.1° | 46.4° |
| N4 | N3 | C4 | C5 | 0.0° | 0.0° |
| N4 | N3 | C4 | C7 | 179.3° | 180.0° |
| N3 | N4 | C2 | C5 | 1.0° | 0.0° |
| N4 | N3 | C27 | C21 | 87.9° | 46.8° |
| N3 | N4 | C2 | C3 | 178.6° | 180.0° |
| N4 | N3 | C27 | C18 | 90.2° | 133.9° |
| C27 | N3 | C4 | C5 | 179.7° | 179.7° |
| C27 | N3 | C4 | C7 | 0.5° | 0.2° |
| N3 | C27 | C18 | C15 | 179.0° | 179.8° |
| N3 | C27 | C21 | C18 | 178.2° | 179.3° |
| N3 | C27 | C21 | C24 | 179.0° | 180.0° |
| N3 | C27 | C21 | H21 | 1.0° | 0.4° |
| C27 | N3 | N4 | C2 | 179.6° | 179.7° |
| N3 | C27 | C18 | H18 | 1.0° | 0.3° |
| C4 | C5 | C6 | C2 | 179.3° | 180.0° |
| C4 | C5 | C6 | C12 | 40.2° | 120.3° |
| C4 | C5 | C6 | C13 | 84.9° | 119.7° |
| C4 | C5 | C6 | H6 | 156.6° | 0.3° |
| C5 | C4 | C7 | C8 | 84.0° | 95.3° |
| C5 | C4 | C7 | H7 | 156.0° | 144.8° |
| C5 | C4 | C7 | H7A | 36.8° | 24.7° |
| C4 | C5 | C2 | C3 | 178.6° | 180.0° |
| C4 | C5 | C2 | N4 | 1.0° | 0.0° |
| C7 | C4 | C5 | C6 | 0.7° | 0.0° |
| C7 | C4 | C5 | C2 | 179.9° | 180.0° |
| C4 | C7 | C8 | H7 | 120.0° | 120.0° |
| C4 | C7 | C8 | H7A | 120.8° | 120.0° |
| C4 | C7 | H7 | H7A | 120.9° | 120.0° |
| C4 | C7 | C8 | C9 | 166.7° | 175.4° |
| C4 | C7 | C8 | H8 | 73.3° | 55.4° |
| C4 | C7 | C8 | H8A | 48.0° | 64.6° |
| C5 | C6 | C12 | C13 | 124.2° | 120.0° |
| C5 | C6 | C12 | H6 | 117.5° | 120.0° |
| C5 | C6 | C13 | H6 | 117.7° | 120.0° |
| C5 | C6 | C13 | H13 | 6.3° | 51.0° |
| C5 | C6 | C13 | H13A | 113.7° | 171.0° |
| C5 | C6 | C13 | H13B | 126.3° | 68.9° |
| C6 | C5 | C2 | C3 | 1.9° | 0.0° |
| C6 | C5 | C2 | N4 | 179.5° | 180.0° |
| C5 | C6 | C12 | H12 | 10.8° | 69.2° |
| C5 | C6 | C12 | H12A | 109.2° | 170.8° |
| C5 | C6 | C12 | H12B | 130.8° | 50.8° |
| C2 | C5 | C6 | C12 | 139.1° | 59.7° |
| C2 | C5 | C6 | C13 | 95.9° | 60.3° |
| C2 | C5 | C6 | H6 | 22.6° | 179.7° |
| C5 | C2 | C3 | O2 | 56.4° | 0.2° |
| C5 | C2 | C3 | N4 | 177.2° | 180.0° |
| C5 | C2 | C3 | N2 | 126.6° | 179.7° |
| C12 | C6 | C13 | H6 | 116.6° | 120.0° |
| C12 | C6 | C13 | H13 | 132.1° | 68.9° |
| C12 | C6 | C13 | H13A | 12.1° | 51.0° |
| C12 | C6 | C13 | H13B | 108.0° | 171.1° |
| C6 | C12 | H12 | H12A | 120.0° | 120.0° |
| C6 | C12 | H12 | H12B | 120.0° | 120.0° |
| C6 | C12 | H12A | H12B | 120.0° | 120.0° |
| C6 | C13 | H13 | H13A | 120.0° | 120.0° |
| C6 | C13 | H13 | H13B | 120.0° | 120.0° |
| C6 | C13 | H13A | H13B | 120.0° | 120.0° |
| C13 | C6 | C12 | H12 | 113.4° | 170.8° |
| C13 | C6 | C12 | H12A | 126.6° | 50.8° |
| C13 | C6 | C12 | H12B | 6.6° | 69.2° |
| H6 | C6 | C13 | H13 | 111.4° | 171.0° |
| H6 | C6 | C13 | H13A | 128.6° | 69.0° |
| H6 | C6 | C13 | H13B | 8.6° | 51.1° |
| H6 | C6 | C12 | H12 | 128.3° | 50.8° |
| H6 | C6 | C12 | H12A | 8.3° | 69.2° |
| H6 | C6 | C12 | H12B | 111.7° | 170.8° |
| C8 | C7 | H7 | H7A | 120.9° | 120.0° |
| C7 | C8 | C9 | H8 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8A | 118.7° | 120.0° |
| C7 | C8 | H8 | H8A | 118.8° | 120.0° |
| C7 | C8 | C9 | C10 | 164.9° | 175.0° |
| C7 | C8 | C9 | O4 | 76.4° | 65.0° |
| C7 | C8 | C9 | H9 | 44.9° | 55.0° |
| H7 | C7 | C8 | C9 | 46.7° | 64.7° |
| H7 | C7 | C8 | H8 | 166.7° | 175.3° |
| H7 | C7 | C8 | H8A | 72.0° | 55.4° |
| H7A | C7 | C8 | C9 | 72.5° | 55.4° |
| H7A | C7 | C8 | H8 | 47.5° | 64.6° |
| H7A | C7 | C8 | H8A | 168.8° | 175.4° |
| C9 | C8 | H8 | H8A | 118.7° | 120.0° |
| C8 | C9 | C10 | O4 | 119.0° | 120.0° |
| C8 | C9 | C10 | H9 | 119.8° | 120.0° |
| C8 | C9 | C10 | C11 | 77.4° | 175.0° |
| C8 | C9 | C10 | H10 | 162.6° | 65.0° |
| C8 | C9 | C10 | H10A | 40.7° | 55.0° |
| C8 | C9 | O4 | H9 | 119.8° | 120.0° |
| C8 | C9 | O4 | HO4 | 148.3° | 60.0° |
| H8 | C8 | C9 | C10 | 75.1° | 65.0° |
| H8 | C8 | C9 | O4 | 43.6° | 55.0° |
| H8 | C8 | C9 | H9 | 164.9° | 175.0° |
| H8A | C8 | C9 | C10 | 46.2° | 55.0° |
| H8A | C8 | C9 | O4 | 164.9° | 175.0° |
| H8A | C8 | C9 | H9 | 73.9° | 65.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 118.1° | 120.1° |
| C9 | C10 | H10 | H10A | 118.3° | 120.0° |
| C10 | C9 | O4 | H9 | 120.0° | 120.0° |
| C10 | C9 | O4 | HO4 | 91.5° | 60.0° |
| C9 | C10 | C11 | C35 | 170.4° | 175.0° |
| C9 | C10 | C11 | O3 | 69.4° | 65.0° |
| C9 | C10 | C11 | H11 | 49.9° | 54.9° |
| C11 | C10 | H10 | H10A | 118.2° | 119.9° |
| C11 | C10 | C9 | O4 | 163.6° | 65.0° |
| C11 | C10 | C9 | H9 | 42.4° | 55.0° |
| C10 | C11 | C35 | O3 | 120.7° | 119.9° |
| C10 | C11 | C35 | H11 | 119.9° | 120.0° |
| C10 | C11 | O3 | H11 | 119.9° | 119.9° |
| C10 | C11 | O3 | HO3 | 160.7° | 60.1° |
| C10 | C11 | C35 | C36 | 169.0° | 175.0° |
| C10 | C11 | C35 | H35 | 71.0° | 65.0° |
| C10 | C11 | C35 | H35A | 49.4° | 55.1° |
| H10 | C10 | C9 | O4 | 43.6° | 55.0° |
| H10 | C10 | C9 | H9 | 77.6° | 175.0° |
| H10 | C10 | C11 | C35 | 69.6° | 65.0° |
| H10 | C10 | C11 | O3 | 50.6° | 55.0° |
| H10 | C10 | C11 | H11 | 169.9° | 175.0° |
| H10A | C10 | C9 | O4 | 78.3° | 175.0° |
| H10A | C10 | C9 | H9 | 160.5° | 65.0° |
| H10A | C10 | C11 | C35 | 52.2° | 55.0° |
| H10A | C10 | C11 | O3 | 172.4° | 174.9° |
| H10A | C10 | C11 | H11 | 68.3° | 65.1° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| C18 | C15 | C30 | H15 | 180.0° | 179.8° |
| C15 | C18 | C27 | C21 | 0.8° | 0.5° |
| C18 | C15 | C30 | C24 | 0.2° | 0.2° |
| C15 | C18 | C27 | H18 | 180.0° | 179.9° |
| C18 | C15 | C30 | F1 | 180.0° | 179.7° |
| C15 | C30 | C24 | C21 | 0.2° | 0.0° |
| C15 | C30 | C24 | F1 | 179.7° | 180.0° |
| C15 | C30 | C24 | H24 | 179.7° | 179.6° |
| C30 | C15 | C18 | C27 | 0.5° | 0.0° |
| C30 | C15 | C18 | H18 | 179.5° | 180.0° |
| H15 | C15 | C30 | C24 | 179.8° | 180.0° |
| H15 | C15 | C18 | C27 | 179.5° | 179.7° |
| H15 | C15 | C18 | H18 | 0.5° | 0.2° |
| H15 | C15 | C30 | F1 | 0.1° | 0.0° |
| C20 | C17 | C32 | H17 | 180.0° | 179.8° |
| C17 | C20 | C29 | H20 | 180.0° | 179.9° |
| C20 | C17 | C32 | C26 | 0.2° | 0.2° |
| C20 | C17 | C32 | C1 | 179.8° | 179.7° |
| C17 | C20 | C29 | C23 | 0.1° | 0.1° |
| C17 | C20 | C29 | H29 | 179.9° | 180.0° |
| C32 | C17 | C20 | C29 | 0.2° | 0.0° |
| C32 | C17 | C20 | H20 | 179.8° | 179.9° |
| C17 | C32 | C26 | C23 | 0.0° | 0.5° |
| C17 | C32 | C26 | C1 | 179.6° | 179.9° |
| C17 | C32 | C26 | H26 | 180.0° | 179.9° |
| C17 | C32 | C1 | N2 | 17.4° | 146.2° |
| C17 | C32 | C1 | C16 | 108.5° | 26.2° |
| C17 | C32 | C1 | H1 | 131.7° | 93.9° |
| H17 | C17 | C20 | C29 | 179.8° | 179.8° |
| H17 | C17 | C20 | H20 | 0.2° | 0.3° |
| H17 | C17 | C32 | C26 | 179.8° | 180.0° |
| H17 | C17 | C32 | C1 | 0.2° | 0.1° |
| C20 | C29 | C23 | C26 | 0.0° | 0.3° |
| C20 | C29 | C23 | H29 | 180.0° | 180.0° |
| C20 | C29 | C23 | H23 | 180.0° | 179.8° |
| H20 | C20 | C29 | C23 | 179.9° | 180.0° |
| H20 | C20 | C29 | H29 | 0.1° | 0.1° |
| C27 | C21 | C24 | H21 | 180.0° | 179.5° |
| C27 | C21 | C24 | C30 | 0.6° | 0.4° |
| C27 | C21 | C24 | H24 | 179.4° | 180.0° |
| C21 | C27 | C18 | H18 | 179.2° | 179.6° |
| C21 | C24 | C30 | H24 | 180.0° | 179.6° |
| C24 | C21 | C27 | C18 | 0.9° | 0.7° |
| C21 | C24 | C30 | F1 | 180.0° | 179.9° |
| H21 | C21 | C24 | C30 | 179.4° | 180.0° |
| H21 | C21 | C24 | H24 | 0.6° | 0.4° |
| H21 | C21 | C27 | C18 | 179.2° | 179.8° |
| H24 | C24 | C30 | F1 | 0.0° | 0.5° |
| C23 | C26 | C32 | H26 | 180.0° | 179.4° |
| C23 | C26 | C32 | C1 | 179.7° | 179.4° |
| C26 | C23 | C29 | H23 | 180.0° | 179.5° |
| C26 | C23 | C29 | H29 | 179.9° | 179.7° |
| C26 | C32 | C1 | N2 | 162.9° | 33.9° |
| C26 | C32 | C1 | C16 | 71.1° | 153.9° |
| C26 | C32 | C1 | H1 | 48.7° | 86.0° |
| C32 | C26 | C23 | C29 | 0.1° | 0.5° |
| C32 | C26 | C23 | H23 | 179.9° | 180.0° |
| H26 | C26 | C32 | C1 | 0.3° | 0.0° |
| H26 | C26 | C23 | C29 | 180.0° | 180.0° |
| H26 | C26 | C23 | H23 | 0.0° | 0.6° |
| O2 | C3 | C2 | N2 | 177.0° | 179.9° |
| O2 | C3 | N2 | C1 | 0.4° | 2.9° |
| O2 | C3 | N2 | C14 | 178.7° | 177.1° |
| O2 | C3 | C2 | N4 | 120.8° | 179.7° |
| C2 | C3 | N2 | C1 | 177.3° | 177.1° |
| C2 | C3 | N2 | C14 | 1.8° | 3.0° |
| C3 | N2 | C1 | C14 | 179.2° | 180.0° |
| C3 | N2 | C1 | C32 | 90.1° | 119.9° |
| C3 | N2 | C1 | C16 | 144.6° | 120.1° |
| C3 | N2 | C1 | H1 | 25.0° | 0.1° |
| C3 | N2 | C14 | H14 | 107.1° | 84.2° |
| C3 | N2 | C14 | H14A | 12.9° | 155.9° |
| C3 | N2 | C14 | H14B | 132.9° | 35.9° |
| N2 | C3 | C2 | N4 | 56.2° | 0.3° |
| N2 | C1 | C32 | C16 | 126.0° | 120.0° |
| N2 | C1 | C32 | H1 | 114.2° | 120.0° |
| N2 | C1 | C16 | H1 | 115.0° | 120.0° |
| N2 | C1 | C16 | H16 | 106.6° | 60.0° |
| N2 | C1 | C16 | H16A | 13.4° | 180.0° |
| N2 | C1 | C16 | H16B | 133.4° | 60.0° |
| C1 | N2 | C14 | H14 | 73.8° | 95.8° |
| C1 | N2 | C14 | H14A | 166.2° | 24.2° |
| C1 | N2 | C14 | H14B | 46.3° | 144.2° |
| C14 | N2 | C1 | C32 | 90.7° | 60.2° |
| C14 | N2 | C1 | C16 | 34.6° | 59.8° |
| C14 | N2 | C1 | H1 | 154.2° | 179.8° |
| N2 | C14 | H14 | H14A | 120.0° | 120.0° |
| N2 | C14 | H14 | H14B | 120.0° | 120.1° |
| N2 | C14 | H14A | H14B | 120.0° | 120.1° |
| C32 | C1 | C16 | H1 | 116.0° | 120.0° |
| C32 | C1 | C16 | H16 | 22.5° | 180.0° |
| C32 | C1 | C16 | H16A | 142.5° | 60.0° |
| C32 | C1 | C16 | H16B | 97.5° | 59.9° |
| C1 | C16 | H16 | H16A | 120.0° | 120.0° |
| C1 | C16 | H16 | H16B | 120.0° | 120.0° |
| C1 | C16 | H16A | H16B | 120.0° | 119.9° |
| H1 | C1 | C16 | H16 | 138.4° | 60.0° |
| H1 | C1 | C16 | H16A | 101.6° | 60.0° |
| H1 | C1 | C16 | H16B | 18.4° | 180.0° |
| H16 | C16 | H16A | H16B | 120.0° | 120.1° |
| H23 | C23 | C29 | H29 | 0.1° | 0.2° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| H12 | C12 | H12A | H12B | 120.0° | 119.9° |
| H9 | C9 | O4 | HO4 | 28.5° | 180.0° |
| C35 | C11 | O3 | H11 | 120.5° | 120.1° |
| C35 | C11 | O3 | HO3 | 79.7° | 59.9° |
| C11 | C35 | C36 | H35 | 120.0° | 120.0° |
| C11 | C35 | C36 | H35A | 119.5° | 120.0° |
| C11 | C35 | H35 | H35A | 119.5° | 120.1° |
| C11 | C35 | C36 | O6 | 76.8° | 0.0° |
| C11 | C35 | C36 | O7 | 103.6° | 180.0° |
| O3 | C11 | C35 | C36 | 70.3° | 65.1° |
| O3 | C11 | C35 | H35 | 49.7° | 54.9° |
| O3 | C11 | C35 | H35A | 170.2° | 175.0° |
| H11 | C11 | O3 | HO3 | 40.8° | 180.0° |
| H11 | C11 | C35 | C36 | 49.1° | 55.0° |
| H11 | C11 | C35 | H35 | 169.1° | 175.0° |
| H11 | C11 | C35 | H35A | 70.5° | 65.0° |
| C36 | C35 | H35 | H35A | 119.5° | 120.0° |
| C35 | C36 | O6 | O7 | 179.6° | 180.0° |
| C35 | C36 | O7 | HO7 | 179.6° | 180.0° |
| H35 | C35 | C36 | O6 | 163.2° | 120.0° |
| H35 | C35 | C36 | O7 | 16.4° | 60.0° |
| H35A | C35 | C36 | O6 | 42.8° | 120.0° |
| H35A | C35 | C36 | O7 | 136.9° | 60.0° |
| O6 | C36 | O7 | HO7 | 0.0° | 0.0° |
