7P4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F25 | C13 | sing | 1.40Å | 1.36Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C14 | N15 | sing | 1.47Å | 1.44Å | |
| O19 | C17 | doub | 1.22Å | 1.22Å | |
| C13 | F24 | sing | 1.40Å | 1.37Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| N15 | C17 | sing | 1.35Å | 1.38Å | |
| N15 | C16 | sing | 1.47Å | 1.44Å | |
| C17 | C18 | sing | 1.48Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C16 | C11 | sing | 1.53Å | 1.51Å | |
| C23 | C18 | doub | 1.40Å | 1.37Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C20 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C6 | sing | 1.51Å | 1.48Å | |
| C22 | C26 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.36Å | 1.34Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.47Å | Aromatic |
| C6 | N5 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | C21 | sing | 1.39Å | 1.37Å | Aromatic |
| C26 | F27 | sing | 1.35Å | 1.35Å | |
| C21 | F28 | sing | 1.35Å | 1.35Å | |
| C10 | C2 | sing | 1.51Å | 1.49Å | |
| C2 | N3 | doub | 1.31Å | 1.29Å | Aromatic |
| N5 | N9 | sing | 1.40Å | 1.34Å | Aromatic |
| N5 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | C8 | doub | 1.31Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | N7 | doub | 1.33Å | 1.31Å | Aromatic |
| C8 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F25 | C13 | C14 | 109.8° | 109.5° |
| F25 | C13 | F24 | 106.0° | 109.5° |
| F25 | C13 | C12 | 109.2° | 109.5° |
| C13 | C14 | N15 | 112.8° | 108.8° |
| C14 | C13 | F24 | 109.2° | 109.5° |
| C14 | C13 | C12 | 112.7° | 109.3° |
| C13 | C14 | H13 | 108.6° | 109.6° |
| C13 | C14 | H14 | 108.6° | 109.6° |
| C14 | N15 | C17 | 118.7° | 120.6° |
| C14 | N15 | C16 | 117.0° | 118.7° |
| N15 | C14 | H13 | 108.6° | 109.6° |
| N15 | C14 | H14 | 108.6° | 109.6° |
| O19 | C17 | N15 | 123.7° | 120.0° |
| O19 | C17 | C18 | 117.2° | 120.0° |
| F24 | C13 | C12 | 109.6° | 109.5° |
| C13 | C12 | C11 | 110.5° | 109.6° |
| C13 | C12 | H9 | 109.2° | 109.5° |
| C13 | C12 | H10 | 109.2° | 109.5° |
| C17 | N15 | C16 | 124.3° | 120.6° |
| N15 | C17 | C18 | 119.1° | 120.0° |
| N15 | C16 | C11 | 110.8° | 108.8° |
| N15 | C16 | H11 | 109.2° | 109.6° |
| N15 | C16 | H12 | 109.2° | 109.7° |
| C17 | C18 | C23 | 117.2° | 120.1° |
| C17 | C18 | C20 | 121.2° | 120.1° |
| C12 | C11 | C16 | 114.3° | 109.3° |
| C12 | C11 | C6 | 115.2° | 109.5° |
| C11 | C12 | H9 | 109.2° | 109.5° |
| C11 | C12 | H10 | 109.2° | 109.4° |
| C12 | C11 | H15 | 104.6° | 109.5° |
| C16 | C11 | C6 | 111.9° | 109.5° |
| C11 | C16 | H11 | 109.1° | 109.6° |
| C11 | C16 | H12 | 109.1° | 109.6° |
| C16 | C11 | H15 | 104.5° | 109.5° |
| C18 | C23 | C22 | 119.5° | 119.9° |
| C23 | C18 | C20 | 121.5° | 119.8° |
| C18 | C23 | H7 | 120.2° | 120.0° |
| C23 | C22 | C26 | 119.6° | 120.2° |
| C23 | C22 | H6 | 120.2° | 119.9° |
| C22 | C23 | H7 | 120.3° | 120.1° |
| C18 | C20 | C21 | 118.5° | 119.9° |
| C18 | C20 | H5 | 120.8° | 120.1° |
| C11 | C6 | C1 | 125.3° | 120.5° |
| C11 | C6 | N5 | 115.6° | 120.5° |
| C6 | C11 | H15 | 104.9° | 109.5° |
| C22 | C26 | C21 | 120.6° | 120.2° |
| C22 | C26 | F27 | 119.7° | 119.9° |
| C26 | C22 | H6 | 120.2° | 120.0° |
| C20 | C21 | C26 | 120.4° | 120.1° |
| C20 | C21 | F28 | 120.8° | 120.0° |
| C21 | C20 | H5 | 120.8° | 120.1° |
| C6 | C1 | C2 | 115.3° | 119.3° |
| C1 | C6 | N5 | 119.1° | 119.0° |
| C6 | C1 | H8 | 122.3° | 120.4° |
| C1 | C2 | C10 | 116.9° | 119.9° |
| C1 | C2 | N3 | 125.0° | 120.3° |
| C2 | C1 | H8 | 122.4° | 120.3° |
| C6 | N5 | N9 | 127.5° | 133.3° |
| C6 | N5 | C4 | 122.4° | 120.3° |
| C21 | C26 | F27 | 119.8° | 119.9° |
| C26 | C21 | F28 | 118.8° | 120.0° |
| C10 | C2 | N3 | 118.1° | 119.8° |
| C2 | C10 | H2 | 109.5° | 109.5° |
| C2 | C10 | H3 | 109.5° | 109.5° |
| C2 | C10 | H4 | 109.5° | 109.4° |
| C2 | N3 | C4 | 117.2° | 120.9° |
| N9 | N5 | C4 | 110.1° | 106.4° |
| N5 | N9 | C8 | 102.4° | 107.0° |
| N5 | C4 | N3 | 120.9° | 120.3° |
| N5 | C4 | N7 | 109.9° | 107.2° |
| N9 | C8 | N7 | 114.7° | 109.6° |
| N9 | C8 | H1 | 122.6° | 125.1° |
| N3 | C4 | N7 | 129.2° | 132.5° |
| C4 | N7 | C8 | 102.9° | 109.8° |
| N7 | C8 | H1 | 122.6° | 125.2° |
| H2 | C10 | H3 | 109.5° | 109.6° |
| H2 | C10 | H4 | 109.5° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.5° | 109.6° |
| H13 | C14 | H14 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F25 | C13 | C14 | F24 | 115.9° | 120.1° |
| F25 | C13 | C14 | C12 | 122.0° | 120.0° |
| F25 | C13 | C14 | N15 | 171.4° | 174.6° |
| F25 | C13 | F24 | C12 | 117.8° | 120.1° |
| F25 | C13 | C12 | C11 | 171.7° | 178.6° |
| F25 | C13 | C12 | H9 | 51.6° | 61.3° |
| F25 | C13 | C12 | H10 | 68.1° | 58.6° |
| F25 | C13 | C14 | H13 | 68.1° | 65.6° |
| F25 | C13 | C14 | H14 | 50.9° | 54.8° |
| C13 | C14 | N15 | H13 | 120.5° | 119.8° |
| C13 | C14 | N15 | H14 | 120.5° | 119.8° |
| C14 | C13 | F24 | C12 | 124.0° | 119.8° |
| C13 | C14 | N15 | C17 | 129.9° | 126.4° |
| C13 | C14 | N15 | C16 | 50.9° | 53.6° |
| C14 | C13 | C12 | C11 | 49.3° | 61.4° |
| C14 | C13 | C12 | H9 | 70.8° | 58.7° |
| C14 | C13 | C12 | H10 | 169.5° | 178.6° |
| C13 | C14 | H13 | H14 | 118.5° | 120.4° |
| C14 | N15 | C17 | O19 | 7.7° | 174.1° |
| N15 | C14 | C13 | F24 | 72.8° | 65.3° |
| N15 | C14 | C13 | C12 | 49.3° | 54.6° |
| C14 | N15 | C17 | C16 | 179.1° | 179.9° |
| C14 | N15 | C17 | C18 | 172.4° | 5.9° |
| C14 | N15 | C16 | C11 | 50.4° | 53.6° |
| C14 | N15 | C16 | H11 | 170.5° | 66.2° |
| C14 | N15 | C16 | H12 | 69.8° | 173.5° |
| N15 | C14 | H13 | H14 | 118.5° | 120.4° |
| O19 | C17 | N15 | C18 | 179.9° | 180.0° |
| O19 | C17 | N15 | C16 | 171.5° | 5.8° |
| O19 | C17 | C18 | C23 | 56.8° | 138.5° |
| O19 | C17 | C18 | C20 | 122.1° | 41.4° |
| F24 | C13 | C12 | C11 | 72.5° | 58.5° |
| F24 | C13 | C12 | H9 | 167.3° | 178.6° |
| F24 | C13 | C12 | H10 | 47.6° | 61.5° |
| F24 | C13 | C14 | H13 | 47.7° | 54.5° |
| F24 | C13 | C14 | H14 | 166.8° | 174.9° |
| C13 | C12 | C11 | H9 | 120.1° | 120.0° |
| C13 | C12 | C11 | H10 | 120.1° | 120.0° |
| C13 | C12 | C11 | C16 | 50.6° | 61.4° |
| C13 | C12 | C11 | C6 | 177.7° | 178.7° |
| C13 | C12 | H9 | H10 | 119.5° | 120.0° |
| C12 | C13 | C14 | H13 | 169.8° | 174.4° |
| C12 | C13 | C14 | H14 | 71.1° | 65.2° |
| C13 | C12 | C11 | H15 | 63.1° | 58.6° |
| C17 | N15 | C16 | C11 | 130.5° | 126.4° |
| N15 | C17 | C18 | C23 | 123.1° | 41.5° |
| N15 | C17 | C18 | C20 | 58.0° | 138.6° |
| C17 | N15 | C16 | H11 | 10.3° | 113.8° |
| C17 | N15 | C16 | H12 | 109.3° | 6.5° |
| C17 | N15 | C14 | H13 | 9.4° | 6.6° |
| C17 | N15 | C14 | H14 | 109.6° | 113.8° |
| C16 | N15 | C17 | C18 | 8.5° | 174.2° |
| N15 | C16 | C11 | C12 | 50.1° | 54.6° |
| N15 | C16 | C11 | H11 | 120.2° | 119.8° |
| N15 | C16 | C11 | H12 | 120.2° | 119.9° |
| N15 | C16 | C11 | C6 | 176.6° | 174.6° |
| N15 | C16 | H11 | H12 | 119.4° | 120.4° |
| C16 | N15 | C14 | H13 | 171.4° | 173.4° |
| C16 | N15 | C14 | H14 | 69.6° | 66.2° |
| N15 | C16 | C11 | H15 | 63.6° | 65.4° |
| C17 | C18 | C23 | C20 | 178.9° | 180.0° |
| C17 | C18 | C23 | C22 | 179.3° | 179.4° |
| C17 | C18 | C20 | C21 | 179.4° | 180.0° |
| C17 | C18 | C20 | H5 | 0.6° | 0.3° |
| C17 | C18 | C23 | H7 | 0.7° | 0.0° |
| C12 | C11 | C16 | C6 | 133.3° | 119.9° |
| C12 | C11 | C16 | H15 | 113.8° | 120.0° |
| C12 | C11 | C6 | H15 | 114.4° | 120.1° |
| C12 | C11 | C6 | C1 | 25.2° | 120.0° |
| C12 | C11 | C6 | N5 | 154.7° | 60.0° |
| C11 | C12 | H9 | H10 | 119.6° | 119.9° |
| C12 | C11 | C16 | H11 | 170.3° | 65.1° |
| C12 | C11 | C16 | H12 | 70.1° | 174.6° |
| C16 | C11 | C6 | H15 | 112.8° | 120.1° |
| C16 | C11 | C6 | C1 | 107.6° | 120.2° |
| C16 | C11 | C6 | N5 | 72.5° | 59.8° |
| C16 | C11 | C12 | H9 | 69.6° | 58.6° |
| C16 | C11 | C12 | H10 | 170.7° | 178.6° |
| C11 | C16 | H11 | H12 | 119.4° | 120.3° |
| C18 | C23 | C22 | H7 | 180.0° | 179.5° |
| C18 | C23 | C22 | C26 | 0.1° | 0.8° |
| C23 | C18 | C20 | C21 | 0.6° | 0.0° |
| C23 | C18 | C20 | H5 | 179.4° | 179.7° |
| C18 | C23 | C22 | H6 | 179.9° | 179.7° |
| C22 | C23 | C18 | C20 | 0.4° | 0.5° |
| C23 | C22 | C26 | H6 | 180.0° | 179.5° |
| C23 | C22 | C26 | C21 | 0.1° | 0.5° |
| C23 | C22 | C26 | F27 | 180.0° | 179.5° |
| C18 | C20 | C21 | H5 | 180.0° | 179.7° |
| C18 | C20 | C21 | C26 | 0.4° | 0.3° |
| C18 | C20 | C21 | F28 | 179.8° | 179.7° |
| C20 | C18 | C23 | H7 | 179.6° | 180.0° |
| C11 | C6 | C1 | N5 | 179.9° | 180.0° |
| C11 | C6 | C1 | C2 | 179.8° | 179.9° |
| C11 | C6 | N5 | N9 | 0.6° | 0.0° |
| C11 | C6 | N5 | C4 | 180.0° | 179.9° |
| C11 | C6 | C1 | H8 | 0.2° | 0.0° |
| C6 | C11 | C12 | H9 | 62.1° | 61.3° |
| C6 | C11 | C12 | H10 | 57.6° | 58.6° |
| C6 | C11 | C16 | H11 | 56.4° | 54.8° |
| C6 | C11 | C16 | H12 | 63.2° | 65.5° |
| C22 | C26 | C21 | C20 | 0.1° | 0.0° |
| C22 | C26 | C21 | F27 | 180.0° | 180.0° |
| C22 | C26 | C21 | F28 | 179.9° | 180.0° |
| C26 | C22 | C23 | H7 | 179.9° | 179.7° |
| C20 | C21 | C26 | F28 | 179.9° | 180.0° |
| C20 | C21 | C26 | F27 | 179.9° | 180.0° |
| C6 | C1 | C2 | H8 | 180.0° | 179.9° |
| C6 | C1 | C2 | C10 | 179.7° | 180.0° |
| C6 | C1 | C2 | N3 | 0.1° | 0.1° |
| C1 | C6 | N5 | N9 | 179.5° | 180.0° |
| C1 | C6 | N5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C11 | H15 | 139.6° | 0.1° |
| C2 | C1 | C6 | N5 | 0.1° | 0.1° |
| C1 | C2 | C10 | N3 | 179.8° | 180.0° |
| C1 | C2 | N3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C10 | H2 | 179.8° | 89.9° |
| C1 | C2 | C10 | H3 | 60.1° | 150.0° |
| C1 | C2 | C10 | H4 | 59.8° | 30.0° |
| C6 | N5 | N9 | C4 | 179.5° | 179.9° |
| C6 | N5 | N9 | C8 | 179.7° | 180.0° |
| C6 | N5 | C4 | N3 | 0.4° | 0.0° |
| C6 | N5 | C4 | N7 | 179.9° | 180.0° |
| N5 | C6 | C1 | H8 | 179.9° | 180.0° |
| N5 | C6 | C11 | H15 | 40.3° | 179.9° |
| C26 | C21 | C20 | H5 | 179.6° | 180.0° |
| C21 | C26 | C22 | H6 | 179.9° | 180.0° |
| F27 | C26 | C21 | F28 | 0.1° | 0.0° |
| F27 | C26 | C22 | H6 | 0.0° | 0.0° |
| F28 | C21 | C20 | H5 | 0.2° | 0.0° |
| C10 | C2 | N3 | C4 | 180.0° | 180.0° |
| C2 | C10 | H2 | H3 | 120.0° | 120.0° |
| C2 | C10 | H2 | H4 | 120.0° | 119.9° |
| C2 | C10 | H3 | H4 | 120.0° | 119.9° |
| C10 | C2 | C1 | H8 | 0.3° | 0.1° |
| C2 | N3 | C4 | N5 | 0.4° | 0.0° |
| C2 | N3 | C4 | N7 | 179.9° | 180.0° |
| N3 | C2 | C10 | H2 | 0.0° | 90.1° |
| N3 | C2 | C10 | H3 | 120.0° | 30.0° |
| N3 | C2 | C10 | H4 | 120.0° | 150.0° |
| N3 | C2 | C1 | H8 | 179.9° | 180.0° |
| N9 | N5 | C4 | N3 | 179.9° | 180.0° |
| N9 | N5 | C4 | N7 | 0.4° | 0.0° |
| N5 | N9 | C8 | N7 | 0.0° | 0.1° |
| N5 | N9 | C8 | H1 | 180.0° | 179.9° |
| C4 | N5 | N9 | C8 | 0.2° | 0.1° |
| N5 | C4 | N3 | N7 | 179.7° | 180.0° |
| N5 | C4 | N7 | C8 | 0.3° | 0.0° |
| N9 | C8 | N7 | C4 | 0.2° | 0.1° |
| N9 | C8 | N7 | H1 | 180.0° | 180.0° |
| N3 | C4 | N7 | C8 | 180.0° | 180.0° |
| C4 | N7 | C8 | H1 | 179.8° | 180.0° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H6 | C22 | C23 | H7 | 0.1° | 0.2° |
| H9 | C12 | C11 | H15 | 176.7° | 178.6° |
| H10 | C12 | C11 | H15 | 57.0° | 61.4° |
| H11 | C16 | C11 | H15 | 56.6° | 174.8° |
| H12 | C16 | C11 | H15 | 176.2° | 54.6° |
