V4Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C4 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N7 | doub | 1.31Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.42Å | Aromatic |
| C6 | N1 | sing | 1.39Å | 1.37Å | |
| C6 | N6 | sing | 1.36Å | 1.34Å | Aromatic |
| N1 | C7 | sing | 1.39Å | 1.41Å | |
| C7 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C7 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| N2 | C8 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N3 | sing | 1.38Å | 1.39Å | |
| C8 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C9 | sing | 1.46Å | 1.45Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | F1 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| N5 | C16 | doub | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.72Å | |
| N6 | N7 | sing | 1.40Å | 1.33Å | Aromatic |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 112.2° | 109.5° |
| C1 | C2 | O1 | 107.9° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.4° |
| C1 | C2 | H2 | 109.3° | 109.4° |
| C3 | C2 | O1 | 107.7° | 109.5° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C2 | C3 | H31C | 109.5° | 109.5° |
| C2 | C3 | H32C | 109.5° | 109.5° |
| C2 | C3 | H33C | 109.5° | 109.4° |
| C2 | O1 | C4 | 112.5° | 117.0° |
| O1 | C2 | H2 | 110.4° | 109.5° |
| O1 | C4 | C5 | 136.2° | 125.8° |
| O1 | C4 | N7 | 117.1° | 125.8° |
| C5 | C4 | N7 | 106.7° | 108.3° |
| C4 | C5 | C6 | 104.4° | 107.8° |
| C4 | C5 | H5 | 127.8° | 126.1° |
| C4 | N7 | N6 | 112.1° | 108.4° |
| C5 | C6 | N1 | 127.5° | 126.2° |
| C5 | C6 | N6 | 110.9° | 107.6° |
| C6 | C5 | H5 | 127.8° | 126.1° |
| N1 | C6 | N6 | 121.7° | 126.2° |
| C6 | N1 | C7 | 129.3° | 120.0° |
| C6 | N1 | H1 | 115.4° | 120.1° |
| C6 | N6 | N7 | 105.9° | 107.9° |
| C6 | N6 | H6 | 127.1° | 126.1° |
| N1 | C7 | N2 | 122.0° | 120.4° |
| N1 | C7 | C17 | 117.5° | 120.5° |
| C7 | N1 | H1 | 115.3° | 119.9° |
| N2 | C7 | C17 | 120.5° | 119.0° |
| C7 | N2 | C8 | 117.5° | 120.6° |
| C7 | C17 | C16 | 117.9° | 118.5° |
| C7 | C17 | CL1 | 124.0° | 120.8° |
| N2 | C8 | N3 | 120.6° | 119.2° |
| N2 | C8 | N5 | 125.0° | 121.7° |
| N3 | C8 | N5 | 114.4° | 119.2° |
| C8 | N3 | C9 | 114.1° | 120.0° |
| C8 | N3 | H3 | 108.3° | 120.0° |
| C8 | N5 | C16 | 116.8° | 121.0° |
| N3 | C9 | C10 | 102.7° | 109.4° |
| N3 | C9 | C11 | 111.5° | 109.5° |
| C9 | N3 | H3 | 108.3° | 120.0° |
| N3 | C9 | H9 | 112.2° | 109.4° |
| C10 | C9 | C11 | 107.4° | 109.5° |
| C10 | C9 | H9 | 111.1° | 109.5° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C9 | C11 | C12 | 117.7° | 119.6° |
| C9 | C11 | N4 | 120.2° | 119.6° |
| C11 | C9 | H9 | 111.4° | 109.5° |
| C12 | C11 | N4 | 122.0° | 120.9° |
| C11 | C12 | C13 | 120.3° | 119.1° |
| C11 | C12 | H12 | 119.8° | 120.4° |
| C11 | N4 | C15 | 117.2° | 121.7° |
| C12 | C13 | C14 | 118.0° | 118.4° |
| C13 | C12 | H12 | 119.9° | 120.4° |
| C12 | C13 | H13 | 121.0° | 120.8° |
| C13 | C14 | F1 | 119.4° | 120.5° |
| C13 | C14 | C15 | 119.0° | 119.1° |
| C14 | C13 | H13 | 121.0° | 120.8° |
| F1 | C14 | C15 | 121.6° | 120.4° |
| C14 | C15 | N4 | 123.4° | 120.7° |
| C14 | C15 | H15 | 118.3° | 119.7° |
| N4 | C15 | H15 | 118.3° | 119.6° |
| N5 | C16 | C17 | 122.3° | 119.2° |
| N5 | C16 | H16 | 118.9° | 120.4° |
| C16 | C17 | CL1 | 118.1° | 120.7° |
| C17 | C16 | H16 | 118.9° | 120.4° |
| N7 | N6 | H6 | 127.0° | 126.0° |
| H11C | C1 | H12C | 109.4° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.4° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | O1 | 118.6° | 120.0° |
| C1 | C2 | C3 | H2 | 121.5° | 119.9° |
| C1 | C2 | O1 | H2 | 119.4° | 119.9° |
| C1 | C2 | O1 | C4 | 148.1° | 150.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.1° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | C3 | H31C | 180.0° | 60.0° |
| C1 | C2 | C3 | H32C | 60.0° | 60.1° |
| C1 | C2 | C3 | H33C | 60.0° | 179.9° |
| C3 | C2 | O1 | H2 | 119.2° | 120.0° |
| C3 | C2 | O1 | C4 | 90.5° | 90.0° |
| C3 | C2 | C1 | H11C | 180.0° | 59.9° |
| C3 | C2 | C1 | H12C | 60.0° | 180.0° |
| C3 | C2 | C1 | H13C | 60.0° | 60.0° |
| C2 | C3 | H31C | H32C | 120.0° | 120.0° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C2 | O1 | C4 | C5 | 1.9° | 179.9° |
| C2 | O1 | C4 | N7 | 177.4° | 0.3° |
| O1 | C2 | C1 | H11C | 61.5° | 180.0° |
| O1 | C2 | C1 | H12C | 58.5° | 59.9° |
| O1 | C2 | C1 | H13C | 178.5° | 60.1° |
| O1 | C2 | C3 | H31C | 61.4° | 180.0° |
| O1 | C2 | C3 | H32C | 178.6° | 60.0° |
| O1 | C2 | C3 | H33C | 58.6° | 60.0° |
| O1 | C4 | C5 | N7 | 179.3° | 179.8° |
| O1 | C4 | C5 | C6 | 178.6° | 180.0° |
| O1 | C4 | N7 | N6 | 179.0° | 179.8° |
| C4 | O1 | C2 | H2 | 28.7° | 30.0° |
| O1 | C4 | C5 | H5 | 1.4° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 179.4° | 179.9° |
| C4 | C5 | C6 | N6 | 0.7° | 0.0° |
| C5 | C4 | N7 | N6 | 0.4° | 0.4° |
| N7 | C4 | C5 | C6 | 0.7° | 0.2° |
| C4 | N7 | N6 | C6 | 0.0° | 0.4° |
| N7 | C4 | C5 | H5 | 179.3° | 179.7° |
| C4 | N7 | N6 | H6 | 180.0° | 179.7° |
| C5 | C6 | N1 | N6 | 178.6° | 179.9° |
| C5 | C6 | N1 | C7 | 1.8° | 0.0° |
| C5 | C6 | N6 | N7 | 0.4° | 0.2° |
| C5 | C6 | N1 | H1 | 178.1° | 180.0° |
| C5 | C6 | N6 | H6 | 179.6° | 179.9° |
| C6 | N1 | C7 | H1 | 180.0° | 180.0° |
| C6 | N1 | C7 | N2 | 2.4° | 0.0° |
| C6 | N1 | C7 | C17 | 176.7° | 179.7° |
| N1 | C6 | N6 | N7 | 179.2° | 179.7° |
| N1 | C6 | C5 | H5 | 0.6° | 0.0° |
| N1 | C6 | N6 | H6 | 0.8° | 0.2° |
| N6 | C6 | N1 | C7 | 176.7° | 179.9° |
| C6 | N6 | N7 | H6 | 180.0° | 179.9° |
| N6 | C6 | C5 | H5 | 179.3° | 180.0° |
| N6 | C6 | N1 | H1 | 3.3° | 0.1° |
| N1 | C7 | N2 | C17 | 179.1° | 179.7° |
| N1 | C7 | N2 | C8 | 178.8° | 180.0° |
| N1 | C7 | C17 | C16 | 179.0° | 179.8° |
| N1 | C7 | C17 | CL1 | 1.4° | 0.0° |
| C7 | N2 | C8 | N3 | 179.4° | 180.0° |
| C7 | N2 | C8 | N5 | 0.0° | 0.0° |
| N2 | C7 | C17 | C16 | 0.1° | 0.5° |
| N2 | C7 | C17 | CL1 | 179.5° | 179.8° |
| N2 | C7 | N1 | H1 | 177.7° | 180.0° |
| C17 | C7 | N2 | C8 | 0.3° | 0.3° |
| C7 | C17 | C16 | N5 | 0.3° | 0.4° |
| C7 | C17 | C16 | CL1 | 179.6° | 179.8° |
| C17 | C7 | N1 | H1 | 3.2° | 0.3° |
| C7 | C17 | C16 | H16 | 179.7° | 179.7° |
| N2 | C8 | N3 | N5 | 179.4° | 180.0° |
| N2 | C8 | N3 | C9 | 9.3° | 180.0° |
| N2 | C8 | N5 | C16 | 0.4° | 0.0° |
| N2 | C8 | N3 | H3 | 130.0° | 0.1° |
| C8 | N3 | C9 | H3 | 120.7° | 179.9° |
| C8 | N3 | C9 | C10 | 153.6° | 85.0° |
| C8 | N3 | C9 | C11 | 91.7° | 155.0° |
| N3 | C8 | N5 | C16 | 179.1° | 180.0° |
| C8 | N3 | C9 | H9 | 34.2° | 34.9° |
| N5 | C8 | N3 | C9 | 171.3° | 0.0° |
| C8 | N5 | C16 | C17 | 0.5° | 0.2° |
| N5 | C8 | N3 | H3 | 50.6° | 180.0° |
| C8 | N5 | C16 | H16 | 179.5° | 180.0° |
| N3 | C9 | C10 | C11 | 117.7° | 120.0° |
| N3 | C9 | C10 | H9 | 120.2° | 119.9° |
| N3 | C9 | C11 | H9 | 126.2° | 120.0° |
| N3 | C9 | C11 | C12 | 164.1° | 155.0° |
| N3 | C9 | C11 | N4 | 16.1° | 25.3° |
| N3 | C9 | C10 | H101 | 180.0° | 60.1° |
| N3 | C9 | C10 | H102 | 60.0° | 180.0° |
| N3 | C9 | C10 | H103 | 60.0° | 60.0° |
| C10 | C9 | C11 | H9 | 121.9° | 120.0° |
| C10 | C9 | C11 | C12 | 84.0° | 85.0° |
| C10 | C9 | C11 | N4 | 95.7° | 94.7° |
| C10 | C9 | N3 | H3 | 32.9° | 95.1° |
| C9 | C10 | H101 | H102 | 120.0° | 119.9° |
| C9 | C10 | H101 | H103 | 120.0° | 120.1° |
| C9 | C10 | H102 | H103 | 120.0° | 120.1° |
| C9 | C11 | C12 | N4 | 179.8° | 179.7° |
| C9 | C11 | C12 | C13 | 179.2° | 180.0° |
| C9 | C11 | N4 | C15 | 179.3° | 179.7° |
| C11 | C9 | N3 | H3 | 147.7° | 25.0° |
| C11 | C9 | C10 | H101 | 62.3° | 59.9° |
| C11 | C9 | C10 | H102 | 177.7° | 60.0° |
| C11 | C9 | C10 | H103 | 57.7° | 180.0° |
| C9 | C11 | C12 | H12 | 0.8° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | N4 | C15 | 0.5° | 0.6° |
| C12 | C11 | C9 | H9 | 37.9° | 35.0° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| N4 | C11 | C12 | C13 | 0.6° | 0.3° |
| C11 | N4 | C15 | C14 | 0.1° | 0.6° |
| N4 | C11 | C9 | H9 | 142.3° | 145.3° |
| N4 | C11 | C12 | H12 | 179.4° | 179.7° |
| C11 | N4 | C15 | H15 | 179.9° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | F1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C14 | F1 | C15 | 179.4° | 180.0° |
| C13 | C14 | C15 | N4 | 0.7° | 0.3° |
| C14 | C13 | C12 | H12 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 179.3° | 180.0° |
| F1 | C14 | C15 | N4 | 179.9° | 179.7° |
| F1 | C14 | C13 | H13 | 0.0° | 0.0° |
| F1 | C14 | C15 | H15 | 0.1° | 0.0° |
| C14 | C15 | N4 | H15 | 180.0° | 179.7° |
| C15 | C14 | C13 | H13 | 179.4° | 179.9° |
| N5 | C16 | C17 | H16 | 180.0° | 179.8° |
| N5 | C16 | C17 | CL1 | 179.9° | 179.8° |
| CL1 | C17 | C16 | H16 | 0.1° | 0.0° |
| H11C | C1 | H12C | H13C | 120.0° | 119.9° |
| H11C | C1 | C2 | H2 | 58.6° | 60.0° |
| H12C | C1 | C2 | H2 | 178.5° | 60.0° |
| H13C | C1 | C2 | H2 | 61.4° | 180.0° |
| H2 | C2 | C3 | H31C | 58.5° | 60.0° |
| H2 | C2 | C3 | H32C | 61.5° | 180.0° |
| H2 | C2 | C3 | H33C | 178.6° | 60.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H3 | N3 | C9 | H9 | 86.5° | 145.0° |
| H9 | C9 | C10 | H101 | 59.8° | 180.0° |
| H9 | C9 | C10 | H102 | 60.2° | 60.1° |
| H9 | C9 | C10 | H103 | 179.8° | 59.9° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.0° |
