7ZP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C17 | sing | 1.35Å | 1.35Å | |
| C34 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | N15 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.51Å | 1.50Å | |
| N15 | C10 | sing | 1.35Å | 1.36Å | |
| C30 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N13 | sing | 1.35Å | 1.35Å | |
| C10 | O19 | doub | 1.22Å | 1.22Å | |
| C17 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| N13 | C9 | sing | 1.40Å | 1.40Å | |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N3 | sing | 1.40Å | 1.40Å | |
| C31 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | F26 | sing | 1.35Å | 1.35Å | |
| O20 | C2 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C1 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.48Å | 1.47Å | |
| N6 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C12 | sing | 1.46Å | 1.47Å | Aromatic |
| C12 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | N21 | doub | 1.32Å | 1.32Å | Aromatic |
| C25 | N21 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| N13 | H9 | sing | 0.97Å | 1.00Å | |
| N15 | H10 | sing | 0.97Å | 1.00Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| O20 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C17 | C32 | 119.5° | 120.0° |
| F27 | C17 | C9 | 120.6° | 120.1° |
| C30 | C34 | C23 | 120.7° | 120.1° |
| C34 | C30 | C28 | 119.7° | 120.1° |
| C34 | C30 | H14 | 120.1° | 120.0° |
| C30 | C34 | H18 | 119.6° | 120.0° |
| C34 | C23 | C24 | 120.4° | 120.0° |
| C34 | C23 | C18 | 119.7° | 120.1° |
| C23 | C34 | H18 | 119.6° | 119.9° |
| N15 | C24 | C23 | 115.2° | 109.5° |
| C24 | N15 | C10 | 122.1° | 120.0° |
| N15 | C24 | H4 | 108.0° | 109.5° |
| N15 | C24 | H5 | 108.0° | 109.5° |
| C24 | N15 | H10 | 118.9° | 120.0° |
| C24 | C23 | C18 | 119.9° | 120.0° |
| C23 | C24 | H4 | 108.0° | 109.5° |
| C23 | C24 | H5 | 108.0° | 109.5° |
| N15 | C10 | N13 | 118.3° | 120.0° |
| N15 | C10 | O19 | 120.8° | 120.0° |
| C10 | N15 | H10 | 119.0° | 120.0° |
| C30 | C28 | C11 | 119.7° | 119.9° |
| C30 | C28 | H6 | 120.1° | 120.0° |
| C28 | C30 | H14 | 120.2° | 119.9° |
| C23 | C18 | C11 | 119.6° | 119.9° |
| C23 | C18 | H11 | 120.2° | 120.0° |
| N13 | C10 | O19 | 120.9° | 120.0° |
| C10 | N13 | C9 | 125.4° | 120.1° |
| C10 | N13 | H9 | 117.3° | 120.0° |
| C32 | C17 | C9 | 119.9° | 119.9° |
| C17 | C32 | C31 | 120.3° | 120.0° |
| C17 | C32 | H16 | 119.8° | 120.0° |
| C17 | C9 | N13 | 120.0° | 120.1° |
| C17 | C9 | C16 | 119.5° | 119.9° |
| N13 | C9 | C16 | 120.5° | 120.0° |
| C9 | N13 | H9 | 117.3° | 120.0° |
| C32 | C31 | C33 | 119.9° | 120.2° |
| C32 | C31 | H15 | 120.0° | 119.9° |
| C31 | C32 | H16 | 119.9° | 120.0° |
| C9 | C16 | C33 | 120.1° | 119.9° |
| C9 | C16 | F26 | 120.0° | 120.1° |
| C28 | C11 | C18 | 120.7° | 119.9° |
| C28 | C11 | N3 | 119.9° | 120.0° |
| C11 | C28 | H6 | 120.2° | 120.0° |
| C18 | C11 | N3 | 119.4° | 120.1° |
| C11 | C18 | H11 | 120.2° | 120.1° |
| C11 | N3 | C2 | 123.5° | 125.9° |
| C11 | N3 | N5 | 128.7° | 125.9° |
| C31 | C33 | C16 | 120.3° | 120.1° |
| C33 | C31 | H15 | 120.0° | 119.9° |
| C31 | C33 | H17 | 119.9° | 119.9° |
| C33 | C16 | F26 | 119.9° | 120.0° |
| C16 | C33 | H17 | 119.8° | 120.0° |
| O20 | C2 | N3 | 121.9° | 126.4° |
| O20 | C2 | C1 | 129.2° | 126.5° |
| C2 | O20 | H7 | 109.5° | 114.1° |
| C2 | N3 | N5 | 107.7° | 108.2° |
| N3 | C2 | C1 | 108.9° | 107.1° |
| N3 | N5 | C7 | 108.9° | 109.0° |
| C2 | C1 | C7 | 106.2° | 107.3° |
| C2 | C1 | C4 | 125.8° | 126.4° |
| N5 | C7 | C1 | 108.3° | 108.4° |
| N5 | C7 | H1 | 125.8° | 125.8° |
| C7 | C1 | C4 | 128.0° | 126.3° |
| C1 | C7 | H1 | 125.9° | 125.8° |
| C1 | C4 | N6 | 123.1° | 125.2° |
| C1 | C4 | C8 | 127.8° | 125.2° |
| C4 | N6 | C14 | 110.2° | 109.8° |
| N6 | C4 | C8 | 109.0° | 109.6° |
| C4 | N6 | H8 | 124.9° | 125.1° |
| N6 | C14 | C22 | 133.0° | 134.4° |
| N6 | C14 | C12 | 107.9° | 107.5° |
| C14 | N6 | H8 | 124.9° | 125.1° |
| C4 | C8 | C12 | 106.9° | 106.9° |
| C4 | C8 | H2 | 126.6° | 126.6° |
| C22 | C14 | C12 | 119.0° | 118.1° |
| C14 | C22 | C29 | 118.6° | 118.9° |
| C14 | C22 | H3 | 120.7° | 120.5° |
| C14 | C12 | C8 | 105.9° | 106.2° |
| C14 | C12 | C25 | 118.1° | 119.1° |
| C22 | C29 | N21 | 120.6° | 121.5° |
| C29 | C22 | H3 | 120.7° | 120.6° |
| C22 | C29 | H13 | 119.7° | 119.3° |
| C8 | C12 | C25 | 136.0° | 134.7° |
| C12 | C8 | H2 | 126.5° | 126.5° |
| C12 | C25 | N21 | 120.5° | 120.1° |
| C12 | C25 | H12 | 119.7° | 119.9° |
| C29 | N21 | C25 | 123.1° | 122.2° |
| N21 | C29 | H13 | 119.7° | 119.2° |
| N21 | C25 | H12 | 119.7° | 120.0° |
| H4 | C24 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C17 | C32 | C9 | 179.0° | 179.7° |
| F27 | C17 | C9 | N13 | 1.9° | 0.4° |
| F27 | C17 | C32 | C31 | 179.8° | 179.7° |
| F27 | C17 | C9 | C16 | 179.6° | 179.7° |
| F27 | C17 | C32 | H16 | 0.3° | 0.4° |
| C30 | C34 | C23 | H18 | 180.0° | 179.4° |
| C30 | C34 | C23 | C24 | 179.0° | 179.7° |
| C34 | C30 | C28 | H14 | 180.0° | 179.5° |
| C30 | C34 | C23 | C18 | 0.4° | 0.4° |
| C34 | C30 | C28 | C11 | 0.7° | 0.5° |
| C34 | C30 | C28 | H6 | 179.4° | 179.7° |
| C34 | C23 | C24 | N15 | 130.7° | 90.1° |
| C34 | C23 | C24 | C18 | 178.7° | 179.9° |
| C23 | C34 | C30 | C28 | 0.2° | 0.6° |
| C34 | C23 | C18 | C11 | 0.3° | 0.1° |
| C34 | C23 | C24 | H4 | 9.8° | 150.0° |
| C34 | C23 | C24 | H5 | 108.5° | 29.9° |
| C34 | C23 | C18 | H11 | 179.7° | 180.0° |
| C23 | C34 | C30 | H14 | 179.9° | 179.9° |
| N15 | C24 | C23 | H4 | 120.9° | 120.0° |
| N15 | C24 | C23 | H5 | 120.8° | 120.0° |
| C24 | N15 | C10 | H10 | 180.0° | 180.0° |
| N15 | C24 | C23 | C18 | 50.7° | 90.1° |
| C24 | N15 | C10 | N13 | 177.9° | 180.0° |
| C24 | N15 | C10 | O19 | 2.7° | 0.0° |
| N15 | C24 | H4 | H5 | 117.4° | 120.0° |
| C23 | C24 | N15 | C10 | 121.3° | 180.0° |
| C24 | C23 | C18 | C11 | 178.4° | 180.0° |
| C23 | C24 | H4 | H5 | 117.3° | 120.0° |
| C23 | C24 | N15 | H10 | 58.7° | 0.0° |
| C24 | C23 | C18 | H11 | 1.6° | 0.1° |
| C24 | C23 | C34 | H18 | 1.0° | 0.4° |
| N15 | C10 | N13 | O19 | 179.4° | 180.0° |
| N15 | C10 | N13 | C9 | 178.6° | 175.0° |
| C10 | N15 | C24 | H4 | 117.8° | 60.0° |
| C10 | N15 | C24 | H5 | 0.5° | 60.0° |
| N15 | C10 | N13 | H9 | 1.3° | 5.1° |
| C30 | C28 | C11 | H6 | 180.0° | 179.7° |
| C30 | C28 | C11 | C18 | 1.3° | 0.3° |
| C30 | C28 | C11 | N3 | 179.8° | 179.8° |
| C28 | C30 | C34 | H18 | 179.9° | 180.0° |
| C23 | C18 | C11 | C28 | 1.1° | 0.1° |
| C23 | C18 | C11 | H11 | 180.0° | 179.9° |
| C23 | C18 | C11 | N3 | 179.7° | 180.0° |
| C18 | C23 | C24 | H4 | 171.5° | 29.9° |
| C18 | C23 | C24 | H5 | 70.2° | 150.0° |
| C18 | C23 | C34 | H18 | 179.7° | 179.7° |
| C10 | N13 | C9 | C17 | 115.9° | 90.9° |
| C10 | N13 | C9 | H9 | 180.0° | 179.9° |
| C10 | N13 | C9 | C16 | 66.4° | 89.0° |
| N13 | C10 | N15 | H10 | 2.1° | 0.0° |
| O19 | C10 | N13 | C9 | 0.8° | 5.1° |
| O19 | C10 | N13 | H9 | 179.3° | 174.8° |
| O19 | C10 | N15 | H10 | 177.3° | 180.0° |
| C32 | C17 | C9 | N13 | 179.2° | 180.0° |
| C17 | C32 | C31 | H16 | 180.0° | 179.9° |
| C32 | C17 | C9 | C16 | 1.4° | 0.0° |
| C17 | C32 | C31 | C33 | 0.1° | 0.1° |
| C17 | C32 | C31 | H15 | 179.9° | 180.0° |
| C17 | C9 | N13 | C16 | 177.7° | 179.9° |
| C9 | C17 | C32 | C31 | 0.8° | 0.1° |
| C17 | C9 | C16 | C33 | 1.4° | 0.0° |
| C17 | C9 | C16 | F26 | 179.5° | 180.0° |
| C17 | C9 | N13 | H9 | 64.2° | 89.0° |
| C9 | C17 | C32 | H16 | 179.2° | 180.0° |
| N13 | C9 | C16 | C33 | 179.1° | 179.9° |
| N13 | C9 | C16 | F26 | 1.8° | 0.1° |
| C32 | C31 | C33 | H15 | 180.0° | 179.9° |
| C32 | C31 | C33 | C16 | 0.0° | 0.1° |
| C32 | C31 | C33 | H17 | 180.0° | 180.0° |
| C9 | C16 | C33 | C31 | 0.6° | 0.0° |
| C9 | C16 | C33 | F26 | 179.2° | 180.0° |
| C16 | C9 | N13 | H9 | 113.5° | 91.0° |
| C9 | C16 | C33 | H17 | 179.4° | 180.0° |
| C28 | C11 | C18 | N3 | 178.6° | 179.9° |
| C28 | C11 | N3 | C2 | 44.3° | 35.0° |
| C28 | C11 | N3 | N5 | 137.8° | 144.7° |
| C28 | C11 | C18 | H11 | 178.9° | 180.0° |
| C11 | C28 | C30 | H14 | 179.3° | 180.0° |
| C18 | C11 | N3 | C2 | 134.3° | 144.9° |
| C18 | C11 | N3 | N5 | 43.6° | 35.4° |
| C18 | C11 | C28 | H6 | 178.7° | 180.0° |
| C11 | N3 | C2 | O20 | 2.1° | 0.3° |
| C11 | N3 | C2 | N5 | 178.3° | 179.7° |
| C11 | N3 | C2 | C1 | 178.6° | 179.7° |
| C11 | N3 | N5 | C7 | 178.0° | 179.7° |
| N3 | C11 | C28 | H6 | 0.2° | 0.1° |
| N3 | C11 | C18 | H11 | 0.4° | 0.1° |
| C31 | C33 | C16 | H17 | 180.0° | 180.0° |
| C31 | C33 | C16 | F26 | 179.8° | 180.0° |
| C33 | C31 | C32 | H16 | 179.9° | 180.0° |
| C16 | C33 | C31 | H15 | 180.0° | 180.0° |
| F26 | C16 | C33 | H17 | 0.2° | 0.0° |
| O20 | C2 | N3 | C1 | 179.2° | 180.0° |
| O20 | C2 | N3 | N5 | 179.5° | 180.0° |
| O20 | C2 | C1 | C7 | 179.8° | 180.0° |
| O20 | C2 | C1 | C4 | 3.0° | 0.0° |
| C2 | N3 | N5 | C7 | 0.2° | 0.0° |
| N3 | C2 | C1 | C7 | 0.7° | 0.0° |
| N3 | C2 | C1 | C4 | 177.9° | 180.0° |
| N3 | C2 | O20 | H7 | 180.0° | 90.0° |
| N5 | N3 | C2 | C1 | 0.3° | 0.0° |
| N3 | N5 | C7 | C1 | 0.6° | 0.0° |
| N3 | N5 | C7 | H1 | 179.3° | 180.0° |
| C2 | C1 | C7 | N5 | 0.8° | 0.1° |
| C2 | C1 | C7 | C4 | 177.1° | 180.0° |
| C2 | C1 | C4 | N6 | 4.1° | 140.3° |
| C2 | C1 | C4 | C8 | 173.7° | 40.0° |
| C2 | C1 | C7 | H1 | 179.2° | 180.0° |
| C1 | C2 | O20 | H7 | 1.0° | 89.9° |
| N5 | C7 | C1 | H1 | 180.0° | 180.0° |
| N5 | C7 | C1 | C4 | 177.9° | 180.0° |
| C7 | C1 | C4 | N6 | 179.3° | 39.7° |
| C7 | C1 | C4 | C8 | 2.9° | 140.0° |
| C1 | C4 | N6 | C8 | 178.2° | 179.7° |
| C1 | C4 | N6 | C14 | 178.7° | 179.8° |
| C1 | C4 | C8 | C12 | 178.6° | 180.0° |
| C4 | C1 | C7 | H1 | 2.0° | 0.0° |
| C1 | C4 | C8 | H2 | 1.4° | 0.0° |
| C1 | C4 | N6 | H8 | 1.3° | 0.3° |
| C4 | N6 | C14 | H8 | 180.0° | 179.9° |
| C4 | N6 | C14 | C22 | 178.9° | 180.0° |
| C4 | N6 | C14 | C12 | 0.3° | 0.2° |
| N6 | C4 | C8 | C12 | 0.5° | 0.2° |
| N6 | C4 | C8 | H2 | 179.5° | 179.7° |
| C14 | N6 | C4 | C8 | 0.6° | 0.1° |
| N6 | C14 | C22 | C12 | 179.2° | 179.9° |
| N6 | C14 | C22 | C29 | 179.5° | 179.9° |
| N6 | C14 | C12 | C8 | 0.0° | 0.3° |
| N6 | C14 | C12 | C25 | 179.8° | 180.0° |
| N6 | C14 | C22 | H3 | 0.6° | 0.5° |
| C4 | C8 | C12 | C14 | 0.3° | 0.3° |
| C4 | C8 | C12 | H2 | 180.0° | 180.0° |
| C4 | C8 | C12 | C25 | 179.4° | 180.0° |
| C8 | C4 | N6 | H8 | 179.5° | 180.0° |
| C14 | C22 | C29 | H3 | 180.0° | 179.4° |
| C22 | C14 | C12 | C8 | 179.4° | 179.8° |
| C22 | C14 | C12 | C25 | 0.4° | 0.1° |
| C14 | C22 | C29 | N21 | 1.0° | 0.6° |
| C22 | C14 | N6 | H8 | 1.1° | 0.1° |
| C14 | C22 | C29 | H13 | 179.0° | 179.4° |
| C12 | C14 | C22 | C29 | 1.4° | 0.2° |
| C14 | C12 | C8 | C25 | 179.8° | 179.6° |
| C14 | C12 | C25 | N21 | 0.9° | 0.4° |
| C14 | C12 | C8 | H2 | 179.7° | 179.7° |
| C12 | C14 | C22 | H3 | 178.6° | 179.6° |
| C12 | C14 | N6 | H8 | 179.7° | 179.7° |
| C14 | C12 | C25 | H12 | 179.1° | 179.7° |
| C22 | C29 | N21 | H13 | 180.0° | 180.0° |
| C22 | C29 | N21 | C25 | 0.3° | 0.9° |
| C8 | C12 | C25 | N21 | 179.4° | 180.0° |
| C8 | C12 | C25 | H12 | 0.6° | 0.1° |
| C12 | C25 | N21 | C29 | 1.3° | 0.8° |
| C12 | C25 | N21 | H12 | 180.0° | 179.9° |
| C25 | C12 | C8 | H2 | 0.6° | 0.0° |
| N21 | C29 | C22 | H3 | 178.9° | 180.0° |
| C29 | N21 | C25 | H12 | 178.7° | 179.2° |
| C25 | N21 | C29 | H13 | 179.7° | 179.1° |
| H3 | C22 | C29 | H13 | 1.0° | 0.0° |
| H4 | C24 | N15 | H10 | 62.1° | 120.0° |
| H5 | C24 | N15 | H10 | 179.5° | 120.0° |
| H6 | C28 | C30 | H14 | 0.7° | 0.2° |
| H14 | C30 | C34 | H18 | 0.1° | 0.6° |
| H15 | C31 | C32 | H16 | 0.0° | 0.1° |
| H15 | C31 | C33 | H17 | 0.1° | 0.0° |






