G4V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C5 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C11 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | N3 | sing | 1.37Å | 1.36Å | Aromatic |
| C12 | C6 | doub | 1.41Å | 1.42Å | Aromatic |
| N3 | C4 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C7 | sing | 1.48Å | 1.49Å | |
| C6 | C8 | sing | 1.46Å | 1.44Å | Aromatic |
| C2 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C8 | doub | 1.34Å | 1.36Å | Aromatic |
| C7 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C17 | sing | 1.51Å | 1.50Å | |
| C10 | O1 | sing | 1.36Å | 1.38Å | |
| C10 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| O1 | C15 | sing | 1.43Å | 1.46Å | |
| C9 | N4 | sing | 1.41Å | 1.41Å | |
| F2 | C15 | sing | 1.40Å | 1.34Å | |
| C14 | N4 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| N4 | C13 | sing | 1.37Å | 1.47Å | |
| C15 | F1 | sing | 1.40Å | 1.34Å | |
| N | C13 | doub | 1.29Å | 1.31Å | |
| C18 | O2 | sing | 1.43Å | 1.42Å | |
| O2 | C16 | sing | 1.43Å | 1.42Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C5 | H12 | sing | 1.08Å | 1.08Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| N | H14 | sing | 0.97Å | 1.00Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N2 | C12 | 112.7° | 120.8° |
| N2 | C5 | N1 | 128.6° | 122.8° |
| N2 | C5 | H12 | 115.7° | 118.7° |
| N2 | C12 | N3 | 126.4° | 134.3° |
| N2 | C12 | C6 | 126.5° | 118.5° |
| C5 | N1 | C11 | 117.0° | 121.0° |
| N1 | C5 | H12 | 115.7° | 118.6° |
| N1 | C11 | C6 | 122.0° | 118.2° |
| N1 | C11 | C7 | 114.4° | 120.9° |
| N3 | C12 | C6 | 107.1° | 107.1° |
| C12 | N3 | C4 | 109.5° | 110.0° |
| C12 | N3 | H1 | 125.3° | 125.0° |
| C12 | C6 | C11 | 113.1° | 118.7° |
| C12 | C6 | C8 | 107.1° | 106.2° |
| N3 | C4 | C8 | 110.4° | 109.9° |
| C4 | N3 | H1 | 125.2° | 125.0° |
| N3 | C4 | H2 | 124.8° | 125.0° |
| C2 | C1 | C7 | 121.6° | 120.2° |
| C1 | C2 | C10 | 119.5° | 120.2° |
| C1 | C2 | H11 | 120.2° | 119.9° |
| C2 | C1 | H13 | 119.2° | 119.9° |
| C1 | C7 | C11 | 120.8° | 120.1° |
| C1 | C7 | C3 | 118.4° | 119.8° |
| C7 | C1 | H13 | 119.2° | 119.9° |
| C6 | C11 | C7 | 123.3° | 120.9° |
| C11 | C6 | C8 | 139.8° | 135.2° |
| C11 | C7 | C3 | 120.8° | 120.1° |
| C6 | C8 | C4 | 105.8° | 106.8° |
| C6 | C8 | C17 | 127.8° | 126.6° |
| C2 | C10 | O1 | 116.6° | 119.6° |
| C2 | C10 | C9 | 119.9° | 119.8° |
| C10 | C2 | H11 | 120.2° | 119.8° |
| C4 | C8 | C17 | 126.4° | 126.6° |
| C8 | C4 | H2 | 124.8° | 125.1° |
| C7 | C3 | C9 | 120.8° | 119.7° |
| C7 | C3 | H17 | 119.6° | 120.1° |
| C8 | C17 | C18 | 118.1° | 109.5° |
| C8 | C17 | H9 | 107.3° | 109.5° |
| C8 | C17 | H10 | 107.3° | 109.4° |
| O1 | C10 | C9 | 123.4° | 120.7° |
| C10 | O1 | C15 | 119.8° | 117.8° |
| C10 | C9 | C3 | 119.6° | 120.3° |
| C10 | C9 | N4 | 118.5° | 119.8° |
| C3 | C9 | N4 | 120.9° | 119.9° |
| C9 | C3 | H17 | 119.6° | 120.1° |
| C17 | C18 | O2 | 107.5° | 109.5° |
| C17 | C18 | H4 | 110.0° | 109.5° |
| C17 | C18 | H5 | 110.0° | 109.4° |
| C18 | C17 | H9 | 107.3° | 109.5° |
| C18 | C17 | H10 | 107.3° | 109.4° |
| O1 | C15 | F2 | 102.0° | 109.5° |
| O1 | C15 | C14 | 108.9° | 108.9° |
| O1 | C15 | F1 | 103.0° | 109.6° |
| C9 | N4 | C14 | 116.2° | 117.7° |
| C9 | N4 | C13 | 125.0° | 121.2° |
| F2 | C15 | C14 | 116.1° | 109.6° |
| F2 | C15 | F1 | 113.7° | 109.5° |
| N4 | C14 | C15 | 112.9° | 107.5° |
| C14 | N4 | C13 | 118.3° | 121.1° |
| N4 | C14 | H15 | 108.6° | 109.8° |
| N4 | C14 | H16 | 108.6° | 109.9° |
| C14 | C15 | F1 | 111.7° | 109.7° |
| C15 | C14 | H15 | 108.6° | 109.8° |
| C15 | C14 | H16 | 108.6° | 109.8° |
| N4 | C13 | N | 121.4° | 120.0° |
| N4 | C13 | H3 | 119.3° | 120.0° |
| N | C13 | H3 | 119.3° | 120.0° |
| C13 | N | H14 | 112.0° | 120.0° |
| C18 | O2 | C16 | 114.1° | 114.0° |
| O2 | C18 | H4 | 110.0° | 109.5° |
| O2 | C18 | H5 | 110.0° | 109.5° |
| O2 | C16 | H6 | 109.5° | 109.5° |
| O2 | C16 | H7 | 109.5° | 109.5° |
| O2 | C16 | H8 | 109.5° | 109.5° |
| H4 | C18 | H5 | 109.4° | 109.4° |
| H6 | C16 | H7 | 109.5° | 109.5° |
| H6 | C16 | H8 | 109.4° | 109.5° |
| H7 | C16 | H8 | 109.5° | 109.4° |
| H9 | C17 | H10 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C5 | N1 | H12 | 180.0° | 180.0° |
| N2 | C5 | N1 | C11 | 2.3° | 0.8° |
| C5 | N2 | C12 | N3 | 179.4° | 179.9° |
| C5 | N2 | C12 | C6 | 0.2° | 0.5° |
| C12 | N2 | C5 | N1 | 1.0° | 0.0° |
| N2 | C12 | N3 | C6 | 179.3° | 179.6° |
| N2 | C12 | N3 | C4 | 179.2° | 180.0° |
| N2 | C12 | C6 | C11 | 0.1° | 0.2° |
| N2 | C12 | C6 | C8 | 179.7° | 179.9° |
| N2 | C12 | N3 | H1 | 0.8° | 0.2° |
| C12 | N2 | C5 | H12 | 179.0° | 180.0° |
| C5 | N1 | C11 | C6 | 2.5° | 1.0° |
| C5 | N1 | C11 | C7 | 171.7° | 180.0° |
| N1 | C11 | C6 | C12 | 1.5° | 0.6° |
| N1 | C11 | C7 | C1 | 130.1° | 126.3° |
| N1 | C11 | C6 | C7 | 173.7° | 178.9° |
| N1 | C11 | C6 | C8 | 179.1° | 179.1° |
| N1 | C11 | C7 | C3 | 49.5° | 53.5° |
| C11 | N1 | C5 | H12 | 177.7° | 179.2° |
| C12 | N3 | C4 | H1 | 180.0° | 179.8° |
| N3 | C12 | C6 | C11 | 179.3° | 179.9° |
| N3 | C12 | C6 | C8 | 0.3° | 0.4° |
| C12 | N3 | C4 | C8 | 0.7° | 0.2° |
| C12 | N3 | C4 | H2 | 179.3° | 179.8° |
| C6 | C12 | N3 | C4 | 0.2° | 0.3° |
| C12 | C6 | C11 | C8 | 179.4° | 179.7° |
| C12 | C6 | C11 | C7 | 172.2° | 179.5° |
| C12 | C6 | C8 | C4 | 0.7° | 0.2° |
| C12 | C6 | C8 | C17 | 177.8° | 179.8° |
| C6 | C12 | N3 | H1 | 179.8° | 179.8° |
| N3 | C4 | C8 | C6 | 0.9° | 0.0° |
| N3 | C4 | C8 | H2 | 180.0° | 180.0° |
| N3 | C4 | C8 | C17 | 177.7° | 180.0° |
| C2 | C1 | C7 | H13 | 180.0° | 179.9° |
| C2 | C1 | C7 | C11 | 177.6° | 179.9° |
| C1 | C2 | C10 | H11 | 180.0° | 179.9° |
| C2 | C1 | C7 | C3 | 2.8° | 0.1° |
| C1 | C2 | C10 | O1 | 177.3° | 179.8° |
| C1 | C2 | C10 | C9 | 0.6° | 0.0° |
| C1 | C7 | C11 | C6 | 44.0° | 52.6° |
| C1 | C7 | C11 | C3 | 179.6° | 179.7° |
| C7 | C1 | C2 | C10 | 3.1° | 0.1° |
| C1 | C7 | C3 | C9 | 1.2° | 0.0° |
| C7 | C1 | C2 | H11 | 176.9° | 180.0° |
| C1 | C7 | C3 | H17 | 178.7° | 180.0° |
| C11 | C6 | C8 | C4 | 178.7° | 180.0° |
| C6 | C11 | C7 | C3 | 136.4° | 127.6° |
| C11 | C6 | C8 | C17 | 2.8° | 0.1° |
| C7 | C11 | C6 | C8 | 7.2° | 0.2° |
| C11 | C7 | C3 | C9 | 178.4° | 179.8° |
| C11 | C7 | C1 | H13 | 2.4° | 0.2° |
| C11 | C7 | C3 | H17 | 1.6° | 0.2° |
| C6 | C8 | C4 | C17 | 178.5° | 180.0° |
| C6 | C8 | C17 | C18 | 53.9° | 75.5° |
| C6 | C8 | C4 | H2 | 179.1° | 180.0° |
| C6 | C8 | C17 | H9 | 175.2° | 164.4° |
| C6 | C8 | C17 | H10 | 67.3° | 44.5° |
| C2 | C10 | O1 | C9 | 177.9° | 179.8° |
| C2 | C10 | C9 | C3 | 4.5° | 0.1° |
| C2 | C10 | O1 | C15 | 175.2° | 159.9° |
| C2 | C10 | C9 | N4 | 164.5° | 179.8° |
| C10 | C2 | C1 | H13 | 176.9° | 180.0° |
| C4 | C8 | C17 | C18 | 124.3° | 104.4° |
| C8 | C4 | N3 | H1 | 179.3° | 180.0° |
| C4 | C8 | C17 | H9 | 3.0° | 15.6° |
| C4 | C8 | C17 | H10 | 114.5° | 135.6° |
| C7 | C3 | C9 | C10 | 4.9° | 0.1° |
| C7 | C3 | C9 | H17 | 180.0° | 180.0° |
| C7 | C3 | C9 | N4 | 163.9° | 179.8° |
| C3 | C7 | C1 | H13 | 177.2° | 180.0° |
| C8 | C17 | C18 | H9 | 121.2° | 120.0° |
| C8 | C17 | C18 | H10 | 121.2° | 120.0° |
| C8 | C17 | C18 | O2 | 155.9° | 175.5° |
| C17 | C8 | C4 | H2 | 2.3° | 0.0° |
| C8 | C17 | C18 | H4 | 36.2° | 55.5° |
| C8 | C17 | C18 | H5 | 84.4° | 64.4° |
| C8 | C17 | H9 | H10 | 116.1° | 120.0° |
| O1 | C10 | C9 | C3 | 173.3° | 179.7° |
| O1 | C10 | C9 | N4 | 17.7° | 0.4° |
| C10 | O1 | C15 | F2 | 149.3° | 70.3° |
| C10 | O1 | C15 | C14 | 26.1° | 49.5° |
| C10 | O1 | C15 | F1 | 92.6° | 169.5° |
| O1 | C10 | C2 | H11 | 2.7° | 0.3° |
| C10 | C9 | C3 | N4 | 168.7° | 180.0° |
| C9 | C10 | O1 | C15 | 6.9° | 20.2° |
| C10 | C9 | N4 | C14 | 8.8° | 13.7° |
| C10 | C9 | N4 | C13 | 163.8° | 166.3° |
| C9 | C10 | C2 | H11 | 179.4° | 179.9° |
| C10 | C9 | C3 | H17 | 175.1° | 179.9° |
| C3 | C9 | N4 | C14 | 160.0° | 166.3° |
| C3 | C9 | N4 | C13 | 27.4° | 13.7° |
| C17 | C18 | O2 | H4 | 119.7° | 120.0° |
| C17 | C18 | O2 | H5 | 119.7° | 120.0° |
| C17 | C18 | O2 | C16 | 177.0° | 180.0° |
| C17 | C18 | H4 | H5 | 120.9° | 119.9° |
| C18 | C17 | H9 | H10 | 116.1° | 120.0° |
| O1 | C15 | F2 | C14 | 118.2° | 119.4° |
| O1 | C15 | F2 | F1 | 110.1° | 120.2° |
| O1 | C15 | C14 | N4 | 49.7° | 58.2° |
| O1 | C15 | C14 | F1 | 113.1° | 119.9° |
| O1 | C15 | C14 | H15 | 70.8° | 61.3° |
| O1 | C15 | C14 | H16 | 170.2° | 177.7° |
| C9 | N4 | C14 | C13 | 173.2° | 180.0° |
| C9 | N4 | C14 | C15 | 42.2° | 41.9° |
| C9 | N4 | C13 | N | 123.4° | 180.0° |
| C9 | N4 | C13 | H3 | 56.6° | 0.0° |
| C9 | N4 | C14 | H15 | 78.3° | 77.5° |
| C9 | N4 | C14 | H16 | 162.7° | 161.4° |
| N4 | C9 | C3 | H17 | 16.2° | 0.1° |
| F2 | C15 | C14 | N4 | 164.1° | 61.6° |
| F2 | C15 | C14 | F1 | 132.5° | 120.3° |
| F2 | C15 | C14 | H15 | 43.5° | 178.9° |
| F2 | C15 | C14 | H16 | 75.5° | 57.9° |
| N4 | C14 | C15 | H15 | 120.5° | 119.5° |
| N4 | C14 | C15 | H16 | 120.5° | 119.5° |
| N4 | C14 | C15 | F1 | 63.4° | 178.1° |
| C14 | N4 | C13 | N | 64.1° | 0.1° |
| C14 | N4 | C13 | H3 | 115.9° | 180.0° |
| N4 | C14 | H15 | H16 | 118.4° | 121.0° |
| C15 | C14 | N4 | C13 | 131.0° | 138.1° |
| C15 | C14 | H15 | H16 | 118.5° | 120.9° |
| N4 | C13 | N | H3 | 180.0° | 179.9° |
| N4 | C13 | N | H14 | 180.0° | 180.0° |
| C13 | N4 | C14 | H15 | 108.5° | 102.4° |
| C13 | N4 | C14 | H16 | 10.5° | 18.6° |
| F1 | C15 | C14 | H15 | 176.1° | 58.6° |
| F1 | C15 | C14 | H16 | 57.1° | 62.3° |
| O2 | C18 | H4 | H5 | 120.9° | 120.0° |
| C18 | O2 | C16 | H6 | 180.0° | 180.0° |
| C18 | O2 | C16 | H7 | 60.0° | 60.0° |
| C18 | O2 | C16 | H8 | 60.0° | 59.9° |
| O2 | C18 | C17 | H9 | 82.9° | 64.4° |
| O2 | C18 | C17 | H10 | 34.7° | 55.6° |
| C16 | O2 | C18 | H4 | 57.3° | 60.0° |
| C16 | O2 | C18 | H5 | 63.3° | 60.0° |
| O2 | C16 | H6 | H7 | 120.0° | 120.0° |
| O2 | C16 | H6 | H8 | 120.0° | 120.0° |
| O2 | C16 | H7 | H8 | 120.0° | 120.0° |
| H1 | N3 | C4 | H2 | 0.7° | 0.0° |
| H3 | C13 | N | H14 | 0.0° | 0.0° |
| H4 | C18 | C17 | H9 | 157.4° | 175.5° |
| H4 | C18 | C17 | H10 | 85.0° | 64.4° |
| H5 | C18 | C17 | H9 | 36.8° | 55.6° |
| H5 | C18 | C17 | H10 | 154.4° | 175.6° |
| H6 | C16 | H7 | H8 | 120.0° | 120.0° |
| H11 | C2 | C1 | H13 | 3.1° | 0.1° |
