R34
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.34Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.47Å | 1.42Å | Aromatic |
| O25 | C26 | sing | 1.36Å | 1.40Å | |
| O25 | C23 | sing | 1.35Å | 1.30Å | |
| C21 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N7 | sing | 1.37Å | 1.32Å | Aromatic |
| C26 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | N22 | doub | 1.31Å | 1.34Å | Aromatic |
| C23 | N21 | sing | 1.36Å | 1.33Å | Aromatic |
| C29 | C32 | sing | 1.51Å | 1.51Å | |
| C29 | C30 | doub | 1.40Å | 1.39Å | Aromatic |
| N22 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| N21 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C2 | sing | 1.48Å | 1.54Å | |
| C10 | CL1 | sing | 1.74Å | 1.75Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| N7 | C5 | sing | 1.38Å | 1.33Å | Aromatic |
| N7 | C1 | sing | 1.46Å | 1.44Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C30 | C18 | sing | 1.48Å | 1.53Å | |
| C3 | C4 | sing | 1.37Å | 1.40Å | Aromatic |
| O21 | N8 | sing | 1.42Å | 1.42Å | |
| C18 | O20 | doub | 1.22Å | 1.20Å | |
| C18 | N8 | sing | 1.35Å | 1.43Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| N21 | H9 | sing | 0.97Å | 1.00Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C31 | H13 | sing | 1.08Å | 1.08Å | |
| C32 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C9 | H18 | sing | 1.08Å | 1.08Å | |
| N8 | H19 | sing | 0.97Å | 1.00Å | |
| O21 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | C27 | C26 | 120.1° | 120.2° |
| C27 | C28 | C29 | 120.0° | 120.2° |
| C28 | C27 | H11 | 120.0° | 119.9° |
| C27 | C28 | H12 | 120.0° | 119.9° |
| C27 | C26 | O25 | 120.5° | 119.9° |
| C27 | C26 | C31 | 120.1° | 120.1° |
| C26 | C27 | H11 | 119.9° | 119.9° |
| C28 | C29 | C32 | 119.1° | 120.0° |
| C28 | C29 | C30 | 119.8° | 119.9° |
| C29 | C28 | H12 | 120.0° | 119.8° |
| C9 | C8 | C6 | 106.2° | 106.9° |
| C8 | C9 | N7 | 108.5° | 110.0° |
| C9 | C8 | H17 | 126.9° | 126.5° |
| C8 | C9 | H18 | 125.7° | 125.0° |
| C8 | C6 | C21 | 134.2° | 134.0° |
| C8 | C6 | C5 | 105.7° | 106.1° |
| C6 | C8 | H17 | 126.9° | 126.5° |
| C26 | O25 | C23 | 119.7° | 118.0° |
| O25 | C26 | C31 | 119.4° | 120.0° |
| O25 | C23 | N22 | 124.1° | 125.1° |
| O25 | C23 | N21 | 126.2° | 125.0° |
| C6 | C21 | C2 | 120.0° | 119.4° |
| C21 | C6 | C5 | 120.2° | 120.0° |
| C6 | C21 | H1 | 120.0° | 120.3° |
| C21 | C2 | C7 | 118.3° | 119.9° |
| C21 | C2 | C3 | 120.2° | 120.2° |
| C2 | C21 | H1 | 120.0° | 120.3° |
| C9 | N7 | C5 | 110.8° | 109.9° |
| C9 | N7 | C1 | 124.1° | 125.1° |
| N7 | C9 | H18 | 125.8° | 125.0° |
| C26 | C31 | C30 | 120.6° | 119.8° |
| C26 | C31 | H13 | 119.7° | 120.1° |
| C6 | C5 | N7 | 108.8° | 107.1° |
| C6 | C5 | C4 | 119.8° | 119.6° |
| N22 | C23 | N21 | 109.7° | 109.9° |
| C23 | N22 | C13 | 108.6° | 109.6° |
| C23 | N21 | C12 | 108.6° | 107.3° |
| C23 | N21 | H9 | 125.7° | 126.3° |
| C32 | C29 | C30 | 121.1° | 120.1° |
| C29 | C32 | H14 | 109.5° | 109.5° |
| C29 | C32 | H15 | 109.4° | 109.4° |
| C29 | C32 | H16 | 109.4° | 109.5° |
| C29 | C30 | C31 | 119.5° | 119.8° |
| C29 | C30 | C18 | 122.7° | 120.1° |
| N22 | C13 | C12 | 106.9° | 107.1° |
| N22 | C13 | C14 | 133.2° | 133.3° |
| N21 | C12 | C13 | 106.2° | 106.1° |
| N21 | C12 | C11 | 133.8° | 133.7° |
| C12 | N21 | H9 | 125.7° | 126.4° |
| C12 | C13 | C14 | 119.9° | 119.7° |
| C13 | C12 | C11 | 120.0° | 120.2° |
| C13 | C14 | C7 | 120.0° | 119.6° |
| C13 | C14 | H8 | 120.0° | 120.2° |
| C12 | C11 | C10 | 120.2° | 120.0° |
| C12 | C11 | H7 | 119.9° | 120.0° |
| C14 | C7 | C10 | 120.5° | 120.3° |
| C14 | C7 | C2 | 117.3° | 119.9° |
| C7 | C14 | H8 | 120.0° | 120.2° |
| C11 | C10 | C7 | 119.4° | 120.2° |
| C11 | C10 | CL1 | 119.4° | 119.9° |
| C10 | C11 | H7 | 119.9° | 120.0° |
| C10 | C7 | C2 | 122.2° | 119.9° |
| C7 | C10 | CL1 | 121.2° | 119.9° |
| C7 | C2 | C3 | 121.5° | 119.9° |
| C2 | C3 | C4 | 119.9° | 120.7° |
| C2 | C3 | H3 | 120.1° | 119.7° |
| C5 | N7 | C1 | 125.1° | 125.0° |
| N7 | C5 | C4 | 131.4° | 133.3° |
| N7 | C1 | H4 | 109.5° | 109.5° |
| N7 | C1 | H5 | 109.5° | 109.5° |
| N7 | C1 | H6 | 109.4° | 109.5° |
| C5 | C4 | C3 | 119.9° | 120.2° |
| C5 | C4 | H2 | 120.0° | 119.9° |
| C31 | C30 | C18 | 117.8° | 120.1° |
| C30 | C31 | H13 | 119.7° | 120.1° |
| C30 | C18 | O20 | 119.5° | 120.1° |
| C30 | C18 | N8 | 121.6° | 119.9° |
| C3 | C4 | H2 | 120.0° | 119.9° |
| C4 | C3 | H3 | 120.1° | 119.6° |
| O21 | N8 | C18 | 111.1° | 120.0° |
| O21 | N8 | H19 | 124.5° | 120.0° |
| N8 | O21 | H20 | 109.5° | 114.0° |
| O20 | C18 | N8 | 118.9° | 120.0° |
| C18 | N8 | H19 | 124.5° | 120.0° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H6 | 109.5° | 109.5° |
| H5 | C1 | H6 | 109.5° | 109.4° |
| H14 | C32 | H15 | 109.5° | 109.5° |
| H14 | C32 | H16 | 109.5° | 109.5° |
| H15 | C32 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C28 | C27 | C26 | H11 | 180.0° | 180.0° |
| C27 | C28 | C29 | H12 | 180.0° | 180.0° |
| C28 | C27 | C26 | O25 | 179.9° | 180.0° |
| C28 | C27 | C26 | C31 | 0.9° | 0.3° |
| C27 | C28 | C29 | C32 | 179.9° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C26 | C27 | C28 | C29 | 0.6° | 0.0° |
| C27 | C26 | O25 | C31 | 179.0° | 179.7° |
| C27 | C26 | O25 | C23 | 94.1° | 78.9° |
| C27 | C26 | C31 | C30 | 1.1° | 0.6° |
| C26 | C27 | C28 | H12 | 179.4° | 179.9° |
| C27 | C26 | C31 | H13 | 178.9° | 179.7° |
| C28 | C29 | C32 | C30 | 179.7° | 179.9° |
| C28 | C29 | C30 | C31 | 0.6° | 0.3° |
| C28 | C29 | C30 | C18 | 179.9° | 180.0° |
| C29 | C28 | C27 | H11 | 179.4° | 180.0° |
| C28 | C29 | C32 | H14 | 89.9° | 97.1° |
| C28 | C29 | C32 | H15 | 150.2° | 143.0° |
| C28 | C29 | C32 | H16 | 30.2° | 23.0° |
| C9 | C8 | C6 | H17 | 180.0° | 179.6° |
| C9 | C8 | C6 | C21 | 179.7° | 179.9° |
| C8 | C9 | N7 | H18 | 180.0° | 179.5° |
| C9 | C8 | C6 | C5 | 0.3° | 0.4° |
| C8 | C9 | N7 | C5 | 0.1° | 0.3° |
| C8 | C9 | N7 | C1 | 179.8° | 179.7° |
| C8 | C6 | C21 | C5 | 180.0° | 179.8° |
| C8 | C6 | C21 | C2 | 179.4° | 179.7° |
| C6 | C8 | C9 | N7 | 0.3° | 0.4° |
| C8 | C6 | C5 | N7 | 0.3° | 0.2° |
| C8 | C6 | C5 | C4 | 180.0° | 179.8° |
| C8 | C6 | C21 | H1 | 0.6° | 0.2° |
| C6 | C8 | C9 | H18 | 179.7° | 179.9° |
| C26 | O25 | C23 | N22 | 8.5° | 4.8° |
| C26 | O25 | C23 | N21 | 171.3° | 175.2° |
| O25 | C26 | C31 | C30 | 179.9° | 179.7° |
| O25 | C26 | C27 | H11 | 0.1° | 0.0° |
| O25 | C26 | C31 | H13 | 0.1° | 0.0° |
| C23 | O25 | C26 | C31 | 86.9° | 101.4° |
| O25 | C23 | N22 | N21 | 179.8° | 180.0° |
| O25 | C23 | N22 | C13 | 180.0° | 180.0° |
| O25 | C23 | N21 | C12 | 179.9° | 180.0° |
| O25 | C23 | N21 | H9 | 0.0° | 0.0° |
| C6 | C21 | C2 | H1 | 180.0° | 179.9° |
| C6 | C21 | C2 | C7 | 179.7° | 179.9° |
| C6 | C21 | C2 | C3 | 1.1° | 0.1° |
| C21 | C6 | C5 | N7 | 179.7° | 180.0° |
| C21 | C6 | C5 | C4 | 0.0° | 0.0° |
| C21 | C6 | C8 | H17 | 0.4° | 0.3° |
| C2 | C21 | C6 | C5 | 0.6° | 0.0° |
| C21 | C2 | C7 | C14 | 54.7° | 129.7° |
| C21 | C2 | C7 | C10 | 124.9° | 50.0° |
| C21 | C2 | C7 | C3 | 178.5° | 180.0° |
| C21 | C2 | C3 | C4 | 1.2° | 0.0° |
| C21 | C2 | C3 | H3 | 178.8° | 179.9° |
| C9 | N7 | C5 | C6 | 0.1° | 0.0° |
| C9 | N7 | C5 | C1 | 179.9° | 180.0° |
| C9 | N7 | C5 | C4 | 179.8° | 180.0° |
| C9 | N7 | C1 | H4 | 180.0° | 90.0° |
| C9 | N7 | C1 | H5 | 60.0° | 30.0° |
| C9 | N7 | C1 | H6 | 60.0° | 150.0° |
| N7 | C9 | C8 | H17 | 179.7° | 180.0° |
| C26 | C31 | C30 | C29 | 1.0° | 0.6° |
| C26 | C31 | C30 | H13 | 180.0° | 179.7° |
| C26 | C31 | C30 | C18 | 179.6° | 179.7° |
| C31 | C26 | C27 | H11 | 179.1° | 179.7° |
| C6 | C5 | N7 | C4 | 179.7° | 180.0° |
| C6 | C5 | N7 | C1 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C21 | H1 | 179.5° | 180.0° |
| C6 | C5 | C4 | H2 | 179.9° | 180.0° |
| C5 | C6 | C8 | H17 | 179.6° | 179.9° |
| N22 | C23 | N21 | C12 | 0.2° | 0.0° |
| C23 | N22 | C13 | C12 | 0.2° | 0.0° |
| C23 | N22 | C13 | C14 | 179.9° | 179.7° |
| N22 | C23 | N21 | H9 | 179.8° | 180.0° |
| N21 | C23 | N22 | C13 | 0.3° | 0.0° |
| C23 | N21 | C12 | H9 | 180.0° | 180.0° |
| C23 | N21 | C12 | C13 | 0.0° | 0.0° |
| C23 | N21 | C12 | C11 | 179.8° | 180.0° |
| C32 | C29 | C30 | C31 | 179.7° | 179.7° |
| C32 | C29 | C30 | C18 | 0.2° | 0.1° |
| C32 | C29 | C28 | H12 | 0.1° | 0.0° |
| C29 | C32 | H14 | H15 | 120.0° | 119.9° |
| C29 | C32 | H14 | H16 | 120.0° | 120.1° |
| C29 | C32 | H15 | H16 | 120.0° | 120.0° |
| C29 | C30 | C31 | C18 | 179.5° | 179.7° |
| C29 | C30 | C18 | O20 | 105.6° | 5.9° |
| C29 | C30 | C18 | N8 | 76.3° | 174.0° |
| C30 | C29 | C28 | H12 | 179.5° | 179.9° |
| C29 | C30 | C31 | H13 | 179.1° | 179.7° |
| C30 | C29 | C32 | H14 | 89.8° | 83.0° |
| C30 | C29 | C32 | H15 | 30.2° | 37.0° |
| C30 | C29 | C32 | H16 | 150.2° | 157.0° |
| N22 | C13 | C12 | N21 | 0.1° | 0.0° |
| N22 | C13 | C12 | C14 | 179.9° | 179.7° |
| N22 | C13 | C12 | C11 | 180.0° | 180.0° |
| N22 | C13 | C14 | C7 | 179.6° | 179.8° |
| N22 | C13 | C14 | H8 | 0.3° | 0.3° |
| N21 | C12 | C13 | C11 | 179.8° | 180.0° |
| N21 | C12 | C13 | C14 | 179.9° | 179.8° |
| N21 | C12 | C11 | C10 | 179.8° | 179.9° |
| N21 | C12 | C11 | H7 | 0.2° | 0.0° |
| C12 | C13 | C14 | C7 | 0.2° | 0.6° |
| C13 | C12 | C11 | C10 | 0.5° | 0.0° |
| C13 | C12 | C11 | H7 | 179.5° | 179.9° |
| C12 | C13 | C14 | H8 | 179.8° | 180.0° |
| C13 | C12 | N21 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.1° | 0.3° |
| C13 | C14 | C7 | H8 | 180.0° | 179.4° |
| C13 | C14 | C7 | C10 | 0.3° | 0.6° |
| C13 | C14 | C7 | C2 | 180.0° | 179.7° |
| C12 | C11 | C10 | H7 | 180.0° | 179.9° |
| C12 | C11 | C10 | C7 | 0.4° | 0.0° |
| C12 | C11 | C10 | CL1 | 179.8° | 180.0° |
| C11 | C12 | N21 | H9 | 0.2° | 0.0° |
| C14 | C7 | C10 | C11 | 0.1° | 0.3° |
| C14 | C7 | C10 | C2 | 179.7° | 179.7° |
| C14 | C7 | C10 | CL1 | 179.8° | 179.7° |
| C14 | C7 | C2 | C3 | 123.7° | 50.3° |
| C11 | C10 | C7 | CL1 | 179.7° | 180.0° |
| C11 | C10 | C7 | C2 | 179.6° | 180.0° |
| C10 | C7 | C2 | C3 | 56.6° | 130.0° |
| C7 | C10 | C11 | H7 | 179.6° | 179.9° |
| C10 | C7 | C14 | H8 | 179.8° | 180.0° |
| C2 | C7 | C10 | CL1 | 0.1° | 0.0° |
| C7 | C2 | C3 | C4 | 179.6° | 180.0° |
| C7 | C2 | C21 | H1 | 0.3° | 0.0° |
| C7 | C2 | C3 | H3 | 0.3° | 0.1° |
| C2 | C7 | C14 | H8 | 0.1° | 0.3° |
| CL1 | C10 | C11 | H7 | 0.1° | 0.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C21 | H1 | 178.9° | 180.0° |
| C2 | C3 | C4 | H2 | 179.3° | 180.0° |
| N7 | C5 | C4 | C3 | 179.6° | 180.0° |
| N7 | C5 | C4 | H2 | 0.4° | 0.1° |
| C5 | N7 | C1 | H4 | 0.1° | 90.0° |
| C5 | N7 | C1 | H5 | 120.1° | 150.0° |
| C5 | N7 | C1 | H6 | 119.9° | 30.0° |
| C5 | N7 | C9 | H18 | 179.9° | 179.8° |
| C1 | N7 | C5 | C4 | 0.3° | 0.1° |
| N7 | C1 | H4 | H5 | 120.0° | 120.0° |
| N7 | C1 | H4 | H6 | 120.0° | 120.0° |
| N7 | C1 | H5 | H6 | 120.0° | 120.0° |
| C1 | N7 | C9 | H18 | 0.2° | 0.2° |
| C5 | C4 | C3 | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 179.4° | 180.0° |
| C31 | C30 | C18 | O20 | 73.9° | 173.8° |
| C31 | C30 | C18 | N8 | 104.2° | 6.3° |
| C30 | C18 | N8 | O21 | 31.5° | 179.9° |
| C30 | C18 | O20 | N8 | 178.2° | 180.0° |
| C18 | C30 | C31 | H13 | 0.4° | 0.1° |
| C30 | C18 | N8 | H19 | 148.5° | 0.0° |
| O21 | N8 | C18 | O20 | 150.4° | 0.0° |
| O21 | N8 | C18 | H19 | 180.0° | 180.0° |
| O20 | C18 | N8 | H19 | 29.6° | 180.0° |
| C18 | N8 | O21 | H20 | 180.0° | 180.0° |
| H2 | C4 | C3 | H3 | 0.7° | 0.1° |
| H4 | C1 | H5 | H6 | 120.0° | 120.0° |
| H11 | C27 | C28 | H12 | 0.6° | 0.0° |
| H14 | C32 | H15 | H16 | 120.0° | 120.0° |
| H17 | C8 | C9 | H18 | 0.3° | 0.5° |
| H19 | N8 | O21 | H20 | 0.0° | 0.0° |
