75Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F17 | C14 | sing | 1.35Å | 1.35Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C1 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| N25 | C21 | doub | 1.31Å | 1.37Å | Aromatic |
| N25 | N24 | sing | 1.29Å | 1.32Å | Aromatic |
| O7 | C6 | doub | 1.21Å | 1.24Å | |
| C21 | N22 | sing | 1.36Å | 1.39Å | Aromatic |
| N24 | C23 | doub | 1.31Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.48Å | 1.48Å | |
| C2 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C6 | N18 | sing | 1.35Å | 1.36Å | |
| C9 | C8 | sing | 1.39Å | 1.43Å | Aromatic |
| C9 | O10 | sing | 1.36Å | 1.37Å | |
| C8 | O11 | sing | 1.36Å | 1.36Å | |
| N18 | C19 | sing | 1.46Å | 1.42Å | |
| N22 | C23 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | C26 | sing | 1.48Å | 1.42Å | |
| C26 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
| C26 | C29 | sing | 1.39Å | 1.36Å | Aromatic |
| C27 | C28 | sing | 1.37Å | 1.40Å | Aromatic |
| C29 | C30 | doub | 1.40Å | 1.36Å | Aromatic |
| C28 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.41Å | 1.44Å | Aromatic |
| C30 | N34 | sing | 1.36Å | 1.40Å | Aromatic |
| C31 | N32 | sing | 1.38Å | 1.38Å | Aromatic |
| N34 | C33 | doub | 1.30Å | 1.33Å | Aromatic |
| N32 | C33 | sing | 1.36Å | 1.40Å | Aromatic |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| O10 | H9 | sing | 0.97Å | 0.95Å | |
| O11 | H10 | sing | 0.97Å | 0.95Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| N18 | H13 | sing | 0.97Å | 1.00Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| N22 | H16 | sing | 0.97Å | 1.00Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.08Å | 1.08Å | |
| N32 | H23 | sing | 0.97Å | 1.00Å | |
| C33 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F17 | C14 | C15 | 120.8° | 119.9° |
| F17 | C14 | C13 | 118.2° | 119.9° |
| C14 | C15 | C16 | 120.6° | 120.1° |
| C15 | C14 | C13 | 121.0° | 120.2° |
| C14 | C15 | H2 | 119.7° | 119.9° |
| C15 | C16 | C5 | 118.6° | 119.9° |
| C16 | C15 | H2 | 119.7° | 120.0° |
| C15 | C16 | H12 | 120.7° | 120.1° |
| C14 | C13 | C12 | 119.2° | 120.1° |
| C14 | C13 | H1 | 120.4° | 120.0° |
| C16 | C5 | C12 | 120.6° | 119.8° |
| C16 | C5 | C4 | 120.1° | 120.1° |
| C5 | C16 | H12 | 120.7° | 120.0° |
| C13 | C12 | C5 | 119.9° | 119.9° |
| C12 | C13 | H1 | 120.4° | 119.9° |
| C13 | C12 | H11 | 120.0° | 120.0° |
| C12 | C5 | C4 | 119.2° | 120.1° |
| C5 | C12 | H11 | 120.0° | 120.1° |
| C5 | C4 | C3 | 121.4° | 120.0° |
| C5 | C4 | C1 | 121.4° | 120.0° |
| C3 | C4 | C1 | 117.1° | 120.0° |
| C4 | C3 | C2 | 123.7° | 119.9° |
| C4 | C3 | H8 | 118.2° | 120.0° |
| C4 | C1 | C9 | 122.0° | 120.2° |
| C4 | C1 | H7 | 119.0° | 119.8° |
| C3 | C2 | C6 | 119.4° | 120.1° |
| C3 | C2 | C8 | 117.2° | 119.8° |
| C2 | C3 | H8 | 118.1° | 120.1° |
| C1 | C9 | C8 | 119.2° | 120.2° |
| C1 | C9 | O10 | 120.9° | 119.9° |
| C9 | C1 | H7 | 119.0° | 120.0° |
| C21 | C20 | C19 | 105.0° | 109.5° |
| C20 | C21 | N25 | 128.9° | 126.2° |
| C20 | C21 | N22 | 121.3° | 126.3° |
| C21 | C20 | H3 | 110.6° | 109.5° |
| C21 | C20 | H4 | 110.6° | 109.4° |
| C20 | C19 | N18 | 113.5° | 109.5° |
| C19 | C20 | H3 | 110.6° | 109.4° |
| C19 | C20 | H4 | 110.6° | 109.5° |
| C20 | C19 | H14 | 108.5° | 109.5° |
| C20 | C19 | H15 | 108.4° | 109.5° |
| C21 | N25 | N24 | 107.0° | 110.0° |
| N25 | C21 | N22 | 109.8° | 107.5° |
| N25 | N24 | C23 | 107.1° | 109.8° |
| O7 | C6 | C2 | 118.4° | 120.0° |
| O7 | C6 | N18 | 125.0° | 120.0° |
| C21 | N22 | C23 | 103.8° | 105.8° |
| C21 | N22 | H16 | 128.1° | 127.1° |
| N24 | C23 | N22 | 108.9° | 107.0° |
| N24 | C23 | C26 | 128.1° | 126.5° |
| C6 | C2 | C8 | 123.4° | 120.1° |
| C2 | C6 | N18 | 116.5° | 120.0° |
| C2 | C8 | C9 | 120.7° | 119.9° |
| C2 | C8 | O11 | 124.0° | 120.0° |
| C6 | N18 | C19 | 122.7° | 120.0° |
| C6 | N18 | H13 | 118.7° | 120.0° |
| C8 | C9 | O10 | 119.9° | 119.9° |
| C9 | C8 | O11 | 115.2° | 120.1° |
| C9 | O10 | H9 | 109.5° | 114.1° |
| C8 | O11 | H10 | 109.5° | 114.0° |
| C19 | N18 | H13 | 118.6° | 120.0° |
| N18 | C19 | H14 | 108.5° | 109.4° |
| N18 | C19 | H15 | 108.5° | 109.5° |
| N22 | C23 | C26 | 122.8° | 126.5° |
| C23 | N22 | H16 | 128.1° | 127.1° |
| C23 | C26 | C27 | 127.5° | 119.9° |
| C23 | C26 | C29 | 106.9° | 119.9° |
| C27 | C26 | C29 | 125.6° | 120.2° |
| C26 | C27 | C28 | 118.1° | 120.4° |
| C26 | C27 | H21 | 121.0° | 119.8° |
| C26 | C29 | C30 | 116.9° | 119.5° |
| C26 | C29 | H22 | 121.6° | 120.2° |
| C27 | C28 | C31 | 116.6° | 120.1° |
| C27 | C28 | H6 | 121.7° | 119.9° |
| C28 | C27 | H21 | 120.9° | 119.8° |
| C29 | C30 | C31 | 120.2° | 119.5° |
| C29 | C30 | N34 | 129.0° | 133.5° |
| C30 | C29 | H22 | 121.6° | 120.3° |
| C28 | C31 | C30 | 122.6° | 120.2° |
| C28 | C31 | N32 | 133.6° | 133.9° |
| C31 | C28 | H6 | 121.7° | 120.0° |
| C31 | C30 | N34 | 110.8° | 107.0° |
| C30 | C31 | N32 | 103.8° | 106.0° |
| C30 | N34 | C33 | 104.9° | 109.5° |
| C31 | N32 | C33 | 108.5° | 107.3° |
| C31 | N32 | H23 | 125.7° | 126.3° |
| N34 | C33 | N32 | 112.0° | 110.2° |
| N34 | C33 | H24 | 124.0° | 124.9° |
| C33 | N32 | H23 | 125.7° | 126.3° |
| N32 | C33 | H24 | 124.0° | 124.9° |
| H3 | C20 | H4 | 109.5° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F17 | C14 | C15 | C13 | 179.5° | 179.2° |
| F17 | C14 | C15 | C16 | 179.0° | 180.0° |
| F17 | C14 | C13 | C12 | 179.6° | 179.7° |
| F17 | C14 | C13 | H1 | 0.4° | 0.2° |
| F17 | C14 | C15 | H2 | 1.0° | 0.8° |
| C14 | C15 | C16 | H2 | 180.0° | 179.2° |
| C14 | C15 | C16 | C5 | 2.2° | 0.5° |
| C15 | C14 | C13 | C12 | 0.0° | 0.5° |
| C15 | C14 | C13 | H1 | 180.0° | 179.5° |
| C14 | C15 | C16 | H12 | 177.8° | 179.4° |
| C16 | C15 | C14 | C13 | 0.5° | 0.8° |
| C15 | C16 | C5 | H12 | 180.0° | 179.9° |
| C15 | C16 | C5 | C12 | 3.4° | 0.1° |
| C15 | C16 | C5 | C4 | 179.3° | 179.7° |
| C14 | C13 | C12 | H1 | 180.0° | 180.0° |
| C14 | C13 | C12 | C5 | 1.1° | 0.0° |
| C13 | C14 | C15 | H2 | 179.5° | 180.0° |
| C14 | C13 | C12 | H11 | 178.9° | 180.0° |
| C16 | C5 | C12 | C13 | 2.8° | 0.3° |
| C16 | C5 | C12 | C4 | 177.4° | 179.7° |
| C16 | C5 | C4 | C3 | 29.4° | 0.3° |
| C16 | C5 | C4 | C1 | 146.7° | 180.0° |
| C5 | C16 | C15 | H2 | 177.8° | 179.7° |
| C16 | C5 | C12 | H11 | 177.2° | 179.7° |
| C13 | C12 | C5 | H11 | 180.0° | 180.0° |
| C13 | C12 | C5 | C4 | 179.8° | 180.0° |
| C12 | C5 | C4 | C3 | 148.1° | 180.0° |
| C12 | C5 | C4 | C1 | 35.9° | 0.3° |
| C5 | C12 | C13 | H1 | 178.9° | 180.0° |
| C12 | C5 | C16 | H12 | 176.7° | 180.0° |
| C5 | C4 | C3 | C1 | 176.2° | 179.7° |
| C5 | C4 | C3 | C2 | 179.5° | 179.7° |
| C5 | C4 | C1 | C9 | 179.4° | 179.7° |
| C5 | C4 | C1 | H7 | 0.6° | 0.3° |
| C5 | C4 | C3 | H8 | 0.5° | 0.3° |
| C4 | C5 | C12 | H11 | 0.2° | 0.1° |
| C4 | C5 | C16 | H12 | 0.7° | 0.4° |
| C4 | C3 | C2 | H8 | 180.0° | 180.0° |
| C3 | C4 | C1 | C9 | 3.2° | 0.0° |
| C4 | C3 | C2 | C6 | 179.1° | 180.0° |
| C4 | C3 | C2 | C8 | 1.4° | 0.1° |
| C3 | C4 | C1 | H7 | 176.8° | 180.0° |
| C1 | C4 | C3 | C2 | 3.3° | 0.0° |
| C4 | C1 | C9 | H7 | 180.0° | 180.0° |
| C4 | C1 | C9 | C8 | 1.3° | 0.0° |
| C4 | C1 | C9 | O10 | 178.5° | 180.0° |
| C1 | C4 | C3 | H8 | 176.7° | 179.9° |
| C3 | C2 | C6 | O7 | 9.6° | 180.0° |
| C3 | C2 | C6 | C8 | 179.4° | 180.0° |
| C3 | C2 | C6 | N18 | 167.5° | 0.0° |
| C3 | C2 | C8 | C9 | 0.6° | 0.1° |
| C3 | C2 | C8 | O11 | 177.6° | 180.0° |
| C1 | C9 | C8 | C2 | 0.7° | 0.0° |
| C1 | C9 | C8 | O10 | 179.8° | 180.0° |
| C1 | C9 | C8 | O11 | 177.7° | 180.0° |
| C1 | C9 | O10 | H9 | 180.0° | 90.0° |
| C21 | C20 | C19 | H3 | 119.3° | 120.0° |
| C21 | C20 | C19 | H4 | 119.3° | 119.9° |
| C20 | C21 | N25 | N22 | 179.7° | 179.7° |
| C20 | C21 | N25 | N24 | 168.7° | 179.9° |
| C21 | C20 | C19 | N18 | 176.6° | 180.0° |
| C20 | C21 | N22 | C23 | 179.8° | 179.9° |
| C21 | C20 | H3 | H4 | 122.1° | 120.0° |
| C21 | C20 | C19 | H14 | 56.0° | 60.0° |
| C21 | C20 | C19 | H15 | 62.8° | 60.0° |
| C20 | C21 | N22 | H16 | 0.2° | 0.0° |
| C19 | C20 | C21 | N25 | 99.5° | 55.3° |
| C19 | C20 | C21 | N22 | 80.2° | 125.0° |
| C20 | C19 | N18 | C6 | 87.9° | 180.0° |
| C20 | C19 | N18 | H14 | 120.6° | 120.0° |
| C20 | C19 | N18 | H15 | 120.6° | 120.1° |
| C19 | C20 | H3 | H4 | 122.1° | 120.0° |
| C20 | C19 | N18 | H13 | 92.2° | 0.0° |
| C20 | C19 | H14 | H15 | 118.2° | 120.1° |
| C21 | N25 | N24 | C23 | 18.1° | 0.4° |
| N25 | C21 | N22 | C23 | 0.0° | 0.2° |
| N25 | C21 | C20 | H3 | 141.1° | 64.6° |
| N25 | C21 | C20 | H4 | 19.7° | 175.3° |
| N25 | C21 | N22 | H16 | 180.0° | 179.8° |
| N24 | N25 | C21 | N22 | 11.6° | 0.4° |
| N25 | N24 | C23 | N22 | 18.7° | 0.2° |
| N25 | N24 | C23 | C26 | 157.1° | 179.8° |
| O7 | C6 | C2 | N18 | 177.1° | 180.0° |
| O7 | C6 | C2 | C8 | 171.0° | 0.0° |
| O7 | C6 | N18 | C19 | 0.8° | 0.0° |
| O7 | C6 | N18 | H13 | 179.1° | 180.0° |
| C21 | N22 | C23 | N24 | 11.0° | 0.0° |
| C21 | N22 | C23 | H16 | 180.0° | 180.0° |
| C21 | N22 | C23 | C26 | 165.0° | 180.0° |
| N22 | C21 | C20 | H3 | 39.2° | 115.0° |
| N22 | C21 | C20 | H4 | 160.6° | 5.0° |
| N24 | C23 | N22 | C26 | 176.0° | 180.0° |
| N24 | C23 | C26 | C27 | 138.4° | 180.0° |
| N24 | C23 | C26 | C29 | 40.8° | 0.3° |
| N24 | C23 | N22 | H16 | 169.0° | 180.0° |
| C6 | C2 | C8 | C9 | 178.8° | 180.0° |
| C6 | C2 | C8 | O11 | 2.9° | 0.0° |
| C2 | C6 | N18 | C19 | 176.0° | 180.0° |
| C6 | C2 | C3 | H8 | 0.9° | 0.0° |
| C2 | C6 | N18 | H13 | 4.0° | 0.0° |
| C8 | C2 | C6 | N18 | 11.9° | 180.0° |
| C2 | C8 | C9 | O11 | 178.4° | 180.0° |
| C2 | C8 | C9 | O10 | 179.5° | 180.0° |
| C8 | C2 | C3 | H8 | 178.6° | 179.9° |
| C2 | C8 | O11 | H10 | 180.0° | 90.1° |
| C6 | N18 | C19 | H13 | 180.0° | 180.0° |
| C6 | N18 | C19 | H14 | 32.7° | 60.0° |
| C6 | N18 | C19 | H15 | 151.6° | 59.9° |
| C8 | C9 | C1 | H7 | 178.7° | 180.0° |
| C8 | C9 | O10 | H9 | 0.1° | 90.0° |
| C9 | C8 | O11 | H10 | 1.7° | 89.9° |
| O10 | C9 | C8 | O11 | 2.1° | 0.0° |
| O10 | C9 | C1 | H7 | 1.5° | 0.0° |
| N18 | C19 | C20 | H3 | 64.1° | 60.0° |
| N18 | C19 | C20 | H4 | 57.3° | 60.0° |
| N18 | C19 | H14 | H15 | 118.2° | 119.9° |
| N22 | C23 | C26 | C27 | 46.4° | 0.0° |
| N22 | C23 | C26 | C29 | 134.4° | 179.7° |
| C23 | C26 | C27 | C29 | 179.0° | 179.7° |
| C23 | C26 | C27 | C28 | 178.8° | 179.7° |
| C23 | C26 | C29 | C30 | 178.7° | 179.7° |
| C26 | C23 | N22 | H16 | 15.0° | 0.0° |
| C23 | C26 | C27 | H21 | 1.2° | 0.4° |
| C23 | C26 | C29 | H22 | 1.3° | 0.3° |
| C26 | C27 | C28 | H21 | 180.0° | 179.9° |
| C27 | C26 | C29 | C30 | 0.5° | 0.1° |
| C26 | C27 | C28 | C31 | 0.2° | 0.0° |
| C26 | C27 | C28 | H6 | 179.8° | 179.9° |
| C27 | C26 | C29 | H22 | 179.5° | 180.0° |
| C29 | C26 | C27 | C28 | 0.2° | 0.1° |
| C26 | C29 | C30 | H22 | 180.0° | 179.9° |
| C26 | C29 | C30 | C31 | 0.7° | 0.0° |
| C26 | C29 | C30 | N34 | 179.2° | 179.9° |
| C29 | C26 | C27 | H21 | 179.7° | 180.0° |
| C27 | C28 | C31 | H6 | 180.0° | 179.9° |
| C27 | C28 | C31 | C30 | 0.5° | 0.1° |
| C27 | C28 | C31 | N32 | 179.1° | 179.9° |
| C29 | C30 | C31 | C28 | 0.7° | 0.0° |
| C29 | C30 | C31 | N34 | 178.8° | 180.0° |
| C29 | C30 | C31 | N32 | 179.0° | 180.0° |
| C29 | C30 | N34 | C33 | 178.4° | 180.0° |
| C28 | C31 | C30 | N32 | 179.7° | 179.9° |
| C28 | C31 | C30 | N34 | 179.5° | 180.0° |
| C28 | C31 | N32 | C33 | 179.1° | 180.0° |
| C31 | C28 | C27 | H21 | 179.8° | 179.9° |
| C28 | C31 | N32 | H23 | 0.9° | 0.1° |
| C31 | C30 | N34 | C33 | 0.2° | 0.1° |
| C30 | C31 | N32 | C33 | 0.5° | 0.1° |
| C30 | C31 | C28 | H6 | 179.5° | 180.0° |
| C31 | C30 | C29 | H22 | 179.3° | 180.0° |
| C30 | C31 | N32 | H23 | 179.5° | 180.0° |
| N34 | C30 | C31 | N32 | 0.2° | 0.1° |
| C30 | N34 | C33 | N32 | 0.6° | 0.0° |
| N34 | C30 | C29 | H22 | 0.7° | 0.0° |
| C30 | N34 | C33 | H24 | 179.4° | 180.0° |
| C31 | N32 | C33 | N34 | 0.7° | 0.0° |
| C31 | N32 | C33 | H23 | 180.0° | 179.9° |
| N32 | C31 | C28 | H6 | 0.9° | 0.1° |
| C31 | N32 | C33 | H24 | 179.3° | 179.9° |
| N34 | C33 | N32 | H24 | 180.0° | 180.0° |
| N34 | C33 | N32 | H23 | 179.3° | 180.0° |
| H1 | C13 | C12 | H11 | 1.1° | 0.0° |
| H2 | C15 | C16 | H12 | 2.2° | 0.2° |
| H3 | C20 | C19 | H14 | 175.4° | 180.0° |
| H3 | C20 | C19 | H15 | 56.5° | 60.0° |
| H4 | C20 | C19 | H14 | 63.2° | 59.9° |
| H4 | C20 | C19 | H15 | 177.9° | 180.0° |
| H6 | C28 | C27 | H21 | 0.2° | 0.0° |
| H13 | N18 | C19 | H14 | 147.3° | 120.0° |
| H13 | N18 | C19 | H15 | 28.4° | 120.0° |
| H23 | N32 | C33 | H24 | 0.7° | 0.0° |
