VHZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C | sing | 1.74Å | 1.73Å | |
| N | C | doub | 1.32Å | 1.32Å | Aromatic |
| N | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | N1 | trip | 1.14Å | 1.14Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N2 | sing | 1.39Å | 1.38Å | |
| N2 | C6 | sing | 1.40Å | 1.40Å | |
| C17 | N5 | sing | 1.46Å | 1.45Å | |
| C6 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| N5 | C16 | sing | 1.35Å | 1.33Å | |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | O1 | doub | 1.21Å | 1.23Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| N4 | C15 | sing | 1.46Å | 1.45Å | |
| N4 | C12 | sing | 1.38Å | 1.34Å | |
| C10 | C12 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | doub | 1.41Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.37Å | |
| C9 | N3 | sing | 1.38Å | 1.39Å | |
| C13 | C14 | sing | 1.40Å | 1.44Å | |
| N3 | C14 | sing | 1.34Å | 1.37Å | |
| C14 | O | doub | 1.22Å | 1.24Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| N5 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C7 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C | N | 116.3° | 119.7° |
| CL | C | C4 | 118.7° | 119.7° |
| C | N | C1 | 116.8° | 122.1° |
| N | C | C4 | 125.0° | 120.6° |
| N | C1 | C2 | 124.0° | 121.2° |
| N | C1 | H9 | 118.0° | 119.4° |
| C | C4 | C5 | 122.8° | 120.6° |
| C | C4 | C3 | 117.3° | 118.7° |
| C1 | C2 | C3 | 118.6° | 119.3° |
| C1 | C2 | H8 | 120.7° | 120.3° |
| C2 | C1 | H9 | 118.0° | 119.4° |
| C5 | C4 | C3 | 120.0° | 120.7° |
| C4 | C5 | N1 | 177.4° | 180.0° |
| C4 | C3 | C2 | 118.2° | 118.1° |
| C4 | C3 | N2 | 120.9° | 120.9° |
| C2 | C3 | N2 | 120.8° | 121.0° |
| C3 | C2 | H8 | 120.7° | 120.4° |
| C3 | N2 | C6 | 123.9° | 120.0° |
| C3 | N2 | H10 | 118.1° | 120.0° |
| N2 | C6 | C11 | 118.9° | 119.9° |
| N2 | C6 | C7 | 121.2° | 119.9° |
| C6 | N2 | H10 | 118.1° | 120.0° |
| C17 | N5 | C16 | 122.2° | 120.0° |
| N5 | C17 | H2 | 109.5° | 109.5° |
| N5 | C17 | H3 | 109.4° | 109.5° |
| N5 | C17 | H4 | 109.5° | 109.5° |
| C17 | N5 | H14 | 118.8° | 120.0° |
| C11 | C6 | C7 | 119.9° | 120.2° |
| C6 | C11 | C10 | 120.2° | 119.6° |
| C6 | C11 | H11 | 119.9° | 120.2° |
| C6 | C7 | C8 | 120.4° | 120.6° |
| C6 | C7 | H17 | 119.8° | 119.7° |
| N5 | C16 | O1 | 123.3° | 120.0° |
| N5 | C16 | C15 | 115.7° | 120.0° |
| C16 | N5 | H14 | 118.9° | 120.0° |
| C11 | C10 | C12 | 122.6° | 121.1° |
| C11 | C10 | C9 | 119.7° | 120.0° |
| C10 | C11 | H11 | 119.9° | 120.2° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | H16 | 119.9° | 120.0° |
| C8 | C7 | H17 | 119.8° | 119.8° |
| C18 | C15 | C16 | 109.6° | 109.4° |
| C18 | C15 | N4 | 110.3° | 109.5° |
| C15 | C18 | H5 | 109.5° | 109.5° |
| C15 | C18 | H6 | 109.5° | 109.5° |
| C15 | C18 | H7 | 109.5° | 109.5° |
| C18 | C15 | H13 | 108.5° | 109.4° |
| O1 | C16 | C15 | 121.0° | 120.0° |
| C16 | C15 | N4 | 110.4° | 109.5° |
| C16 | C15 | H13 | 108.5° | 109.5° |
| C15 | N4 | C12 | 126.7° | 120.0° |
| C15 | N4 | H12 | 105.0° | 120.0° |
| N4 | C15 | H13 | 109.4° | 109.5° |
| N4 | C12 | C10 | 116.1° | 120.9° |
| N4 | C12 | C13 | 124.1° | 120.8° |
| C12 | N4 | H12 | 105.0° | 119.9° |
| C12 | C10 | C9 | 117.7° | 118.9° |
| C10 | C12 | C13 | 119.8° | 118.4° |
| C10 | C9 | C8 | 119.6° | 119.6° |
| C10 | C9 | N3 | 119.5° | 119.5° |
| C8 | C9 | N3 | 120.9° | 120.8° |
| C9 | C8 | H16 | 119.9° | 120.0° |
| C12 | C13 | C14 | 122.0° | 120.1° |
| C12 | C13 | H1 | 119.0° | 120.0° |
| C9 | N3 | C14 | 124.9° | 121.2° |
| C9 | N3 | H15 | 117.6° | 119.4° |
| C13 | C14 | N3 | 116.1° | 121.9° |
| C13 | C14 | O | 123.8° | 119.0° |
| C14 | C13 | H1 | 119.0° | 119.9° |
| N3 | C14 | O | 120.1° | 119.1° |
| C14 | N3 | H15 | 117.5° | 119.4° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H4 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.4° | 109.4° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H5 | C18 | H7 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C | N | C4 | 179.6° | 179.7° |
| CL | C | N | C1 | 179.5° | 179.8° |
| CL | C | C4 | C5 | 1.2° | 0.0° |
| CL | C | C4 | C3 | 179.3° | 180.0° |
| C | N | C1 | C2 | 0.1° | 0.6° |
| N | C | C4 | C5 | 179.2° | 179.7° |
| N | C | C4 | C3 | 0.3° | 0.3° |
| C | N | C1 | H9 | 179.9° | 179.7° |
| C1 | N | C | C4 | 0.1° | 0.5° |
| N | C1 | C2 | H9 | 180.0° | 179.8° |
| N | C1 | C2 | C3 | 0.1° | 0.3° |
| N | C1 | C2 | H8 | 179.9° | 179.8° |
| C | C4 | C5 | C3 | 179.5° | 180.0° |
| C | C4 | C5 | N1 | 2.1° | 166.7° |
| C | C4 | C3 | C2 | 0.3° | 0.0° |
| C | C4 | C3 | N2 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H8 | 180.0° | 179.9° |
| C1 | C2 | C3 | N2 | 179.5° | 179.9° |
| C5 | C4 | C3 | C2 | 179.2° | 180.0° |
| C5 | C4 | C3 | N2 | 1.2° | 0.1° |
| C3 | C4 | C5 | N1 | 177.4° | 13.3° |
| C4 | C3 | C2 | N2 | 179.6° | 180.0° |
| C4 | C3 | N2 | C6 | 170.8° | 172.5° |
| C4 | C3 | C2 | H8 | 179.8° | 179.9° |
| C4 | C3 | N2 | H10 | 9.2° | 7.6° |
| C2 | C3 | N2 | C6 | 9.6° | 7.5° |
| C3 | C2 | C1 | H9 | 179.9° | 180.0° |
| C2 | C3 | N2 | H10 | 170.4° | 172.5° |
| C3 | N2 | C6 | H10 | 180.0° | 180.0° |
| C3 | N2 | C6 | C11 | 104.4° | 41.8° |
| C3 | N2 | C6 | C7 | 75.3° | 138.2° |
| N2 | C3 | C2 | H8 | 0.5° | 0.0° |
| N2 | C6 | C11 | C7 | 179.7° | 180.0° |
| N2 | C6 | C11 | C10 | 179.4° | 180.0° |
| N2 | C6 | C7 | C8 | 179.6° | 179.7° |
| N2 | C6 | C11 | H11 | 0.6° | 0.0° |
| N2 | C6 | C7 | H17 | 0.4° | 0.1° |
| C17 | N5 | C16 | H14 | 180.0° | 180.0° |
| C17 | N5 | C16 | O1 | 4.9° | 0.0° |
| C17 | N5 | C16 | C15 | 175.2° | 180.0° |
| N5 | C17 | H2 | H3 | 120.0° | 120.0° |
| N5 | C17 | H2 | H4 | 120.0° | 120.1° |
| N5 | C17 | H3 | H4 | 120.0° | 120.0° |
| C6 | C11 | C10 | H11 | 180.0° | 180.0° |
| C11 | C6 | C7 | C8 | 0.1° | 0.3° |
| C6 | C11 | C10 | C12 | 178.8° | 179.9° |
| C6 | C11 | C10 | C9 | 0.3° | 0.3° |
| C11 | C6 | N2 | H10 | 75.7° | 138.2° |
| C11 | C6 | C7 | H17 | 179.9° | 179.9° |
| C7 | C6 | C11 | C10 | 0.3° | 0.0° |
| C6 | C7 | C8 | H17 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C7 | C6 | N2 | H10 | 104.7° | 41.8° |
| C7 | C6 | C11 | H11 | 179.7° | 180.0° |
| C6 | C7 | C8 | H16 | 179.9° | 179.7° |
| N5 | C16 | C15 | C18 | 105.6° | 60.0° |
| N5 | C16 | O1 | C15 | 179.9° | 180.0° |
| N5 | C16 | C15 | N4 | 16.1° | 180.0° |
| C16 | N5 | C17 | H2 | 180.0° | 60.0° |
| C16 | N5 | C17 | H3 | 60.0° | 180.0° |
| C16 | N5 | C17 | H4 | 60.0° | 60.0° |
| N5 | C16 | C15 | H13 | 136.0° | 60.0° |
| C11 | C10 | C12 | N4 | 0.2° | 0.3° |
| C11 | C10 | C12 | C9 | 179.1° | 179.7° |
| C11 | C10 | C9 | C8 | 0.2° | 0.2° |
| C11 | C10 | C12 | C13 | 179.9° | 179.7° |
| C11 | C10 | C9 | N3 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H16 | 180.0° | 180.0° |
| C7 | C8 | C9 | N3 | 179.8° | 180.0° |
| C18 | C15 | C16 | O1 | 74.3° | 120.0° |
| C18 | C15 | C16 | N4 | 121.7° | 120.0° |
| C18 | C15 | C16 | H13 | 118.4° | 120.0° |
| C18 | C15 | N4 | H13 | 119.4° | 120.0° |
| C18 | C15 | N4 | C12 | 169.6° | 85.0° |
| C15 | C18 | H5 | H6 | 120.0° | 120.0° |
| C15 | C18 | H5 | H7 | 120.0° | 120.0° |
| C15 | C18 | H6 | H7 | 120.0° | 120.0° |
| C18 | C15 | N4 | H12 | 47.3° | 95.0° |
| O1 | C16 | C15 | N4 | 164.0° | 0.0° |
| O1 | C16 | C15 | H13 | 44.1° | 120.0° |
| O1 | C16 | N5 | H14 | 175.1° | 180.0° |
| C16 | C15 | N4 | H13 | 119.3° | 120.1° |
| C16 | C15 | N4 | C12 | 69.1° | 155.0° |
| C16 | C15 | C18 | H5 | 180.0° | 180.0° |
| C16 | C15 | C18 | H6 | 60.0° | 60.0° |
| C16 | C15 | C18 | H7 | 60.0° | 60.0° |
| C16 | C15 | N4 | H12 | 168.6° | 25.0° |
| C15 | C16 | N5 | H14 | 4.8° | 0.0° |
| C15 | N4 | C12 | H12 | 122.3° | 180.0° |
| C15 | N4 | C12 | C10 | 179.8° | 180.0° |
| C15 | N4 | C12 | C13 | 0.1° | 0.0° |
| N4 | C15 | C18 | H5 | 58.2° | 60.0° |
| N4 | C15 | C18 | H6 | 178.2° | 180.0° |
| N4 | C15 | C18 | H7 | 61.8° | 60.0° |
| N4 | C12 | C10 | C13 | 179.7° | 180.0° |
| N4 | C12 | C10 | C9 | 178.9° | 180.0° |
| N4 | C12 | C13 | C14 | 179.4° | 180.0° |
| N4 | C12 | C13 | H1 | 0.6° | 0.1° |
| C12 | N4 | C15 | H13 | 50.2° | 35.0° |
| C12 | C10 | C9 | C8 | 178.9° | 179.9° |
| C12 | C10 | C9 | N3 | 0.8° | 0.1° |
| C10 | C12 | C13 | C14 | 0.3° | 0.0° |
| C10 | C12 | C13 | H1 | 179.7° | 179.9° |
| C12 | C10 | C11 | H11 | 1.3° | 0.0° |
| C10 | C12 | N4 | H12 | 57.9° | 0.0° |
| C10 | C9 | C8 | N3 | 179.7° | 180.0° |
| C9 | C10 | C12 | C13 | 0.8° | 0.0° |
| C10 | C9 | N3 | C14 | 0.4° | 0.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.7° |
| C10 | C9 | N3 | H15 | 179.5° | 180.0° |
| C10 | C9 | C8 | H16 | 180.0° | 180.0° |
| C8 | C9 | N3 | C14 | 179.3° | 179.9° |
| C8 | C9 | N3 | H15 | 0.7° | 0.0° |
| C9 | C8 | C7 | H17 | 180.0° | 179.9° |
| C12 | C13 | C14 | H1 | 180.0° | 179.9° |
| C12 | C13 | C14 | N3 | 0.1° | 0.0° |
| C12 | C13 | C14 | O | 180.0° | 180.0° |
| C13 | C12 | N4 | H12 | 122.4° | 180.0° |
| C9 | N3 | C14 | C13 | 0.1° | 0.0° |
| C9 | N3 | C14 | H15 | 180.0° | 180.0° |
| C9 | N3 | C14 | O | 179.9° | 180.0° |
| N3 | C9 | C8 | H16 | 0.2° | 0.0° |
| C13 | C14 | N3 | O | 179.9° | 180.0° |
| C13 | C14 | N3 | H15 | 180.0° | 180.0° |
| N3 | C14 | C13 | H1 | 179.8° | 179.9° |
| O | C14 | C13 | H1 | 0.0° | 0.1° |
| O | C14 | N3 | H15 | 0.1° | 0.0° |
| H2 | C17 | H3 | H4 | 120.0° | 120.0° |
| H2 | C17 | N5 | H14 | 0.0° | 120.0° |
| H3 | C17 | N5 | H14 | 120.0° | 0.0° |
| H4 | C17 | N5 | H14 | 120.0° | 120.0° |
| H5 | C18 | H6 | H7 | 120.0° | 120.0° |
| H5 | C18 | C15 | H13 | 61.7° | 60.0° |
| H6 | C18 | C15 | H13 | 58.3° | 60.0° |
| H7 | C18 | C15 | H13 | 178.3° | 180.0° |
| H8 | C2 | C1 | H9 | 0.1° | 0.0° |
| H12 | N4 | C15 | H13 | 72.1° | 145.0° |
| H16 | C8 | C7 | H17 | 0.0° | 0.1° |
