V1Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.35Å | 1.40Å | Aromatic |
| C2 | N1 | sing | 1.37Å | 1.34Å | Aromatic |
| C11 | N1 | sing | 1.37Å | 1.34Å | Aromatic |
| C11 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C1 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C4 | sing | 1.37Å | 1.35Å | Aromatic |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C5 | C16 | sing | 1.48Å | 1.49Å | |
| C5 | N2 | sing | 1.34Å | 1.35Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| C3 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | C8 | doub | 1.38Å | 1.49Å | Aromatic |
| C16 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C10 | C | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C | sing | 1.41Å | 1.48Å | Aromatic |
| C15 | N9 | sing | 1.47Å | 1.47Å | |
| N9 | C20 | sing | 1.47Å | 1.47Å | |
| N9 | S1 | sing | 1.66Å | 1.61Å | |
| C7 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C | C9 | sing | 1.51Å | 1.51Å | |
| C8 | S1 | sing | 1.76Å | 1.62Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | O1 | doub | 1.42Å | 1.44Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| N18 | H22 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | N1 | 120.9° | 120.6° |
| C2 | C1 | C10 | 120.9° | 120.3° |
| C1 | C2 | H5 | 119.6° | 119.7° |
| C2 | C1 | H11 | 119.6° | 119.9° |
| C2 | N1 | C11 | 131.1° | 132.3° |
| C2 | N1 | C4 | 120.9° | 120.5° |
| N1 | C2 | H5 | 119.5° | 119.7° |
| N1 | C11 | C5 | 107.5° | 107.1° |
| C11 | N1 | C4 | 108.0° | 107.2° |
| N1 | C11 | H10 | 126.2° | 126.5° |
| C11 | C5 | C16 | 127.0° | 125.8° |
| C11 | C5 | N2 | 107.2° | 108.3° |
| C5 | C11 | H10 | 126.2° | 126.5° |
| C1 | C10 | C | 119.7° | 119.7° |
| C1 | C10 | H9 | 120.1° | 120.1° |
| C10 | C1 | H11 | 119.6° | 119.9° |
| C13 | C14 | C16 | 120.4° | 119.8° |
| C14 | C13 | C12 | 120.8° | 120.2° |
| C14 | C13 | H12 | 119.6° | 119.9° |
| C13 | C14 | H13 | 119.8° | 120.1° |
| C14 | C16 | C5 | 120.6° | 120.1° |
| C14 | C16 | C7 | 120.6° | 119.8° |
| C16 | C14 | H13 | 119.8° | 120.1° |
| C13 | C12 | C3 | 119.1° | 119.9° |
| C13 | C12 | C8 | 119.3° | 120.2° |
| C12 | C13 | H12 | 119.6° | 119.9° |
| N1 | C4 | N2 | 109.3° | 108.3° |
| N1 | C4 | C | 120.7° | 119.6° |
| N18 | C17 | C15 | 110.2° | 109.3° |
| C17 | N18 | C19 | 108.7° | 111.3° |
| N18 | C17 | H16 | 109.3° | 109.5° |
| N18 | C17 | H17 | 109.3° | 109.5° |
| C17 | N18 | H22 | 109.6° | 111.1° |
| C17 | C15 | N9 | 108.0° | 108.5° |
| C17 | C15 | H14 | 109.9° | 109.6° |
| C17 | C15 | H15 | 109.8° | 109.8° |
| C15 | C17 | H16 | 109.3° | 109.5° |
| C15 | C17 | H17 | 109.3° | 109.5° |
| C16 | C5 | N2 | 125.6° | 125.8° |
| C5 | C16 | C7 | 118.6° | 120.1° |
| C5 | N2 | C4 | 108.0° | 109.1° |
| N18 | C19 | C20 | 109.1° | 109.3° |
| N18 | C19 | H18 | 109.6° | 109.5° |
| N18 | C19 | H19 | 109.6° | 109.5° |
| C19 | N18 | H22 | 109.6° | 111.0° |
| C3 | C12 | C8 | 121.5° | 119.9° |
| C12 | C3 | H2 | 109.5° | 109.5° |
| C12 | C3 | H3 | 109.4° | 109.4° |
| C12 | C3 | H4 | 109.5° | 109.5° |
| C12 | C8 | C7 | 117.3° | 120.1° |
| C12 | C8 | S1 | 123.7° | 120.0° |
| C16 | C7 | C8 | 121.5° | 119.9° |
| C16 | C7 | H1 | 119.2° | 120.1° |
| C19 | C20 | N9 | 110.7° | 108.5° |
| C20 | C19 | H18 | 109.6° | 109.5° |
| C20 | C19 | H19 | 109.6° | 109.5° |
| C19 | C20 | H20 | 109.1° | 109.6° |
| C19 | C20 | H21 | 109.2° | 109.6° |
| C10 | C | C4 | 116.8° | 119.3° |
| C10 | C | C9 | 122.9° | 120.3° |
| C | C10 | H9 | 120.2° | 120.2° |
| N2 | C4 | C | 130.0° | 132.1° |
| C4 | C | C9 | 120.2° | 120.3° |
| C15 | N9 | C20 | 108.8° | 118.2° |
| C15 | N9 | S1 | 108.3° | 120.9° |
| N9 | C15 | H14 | 109.8° | 109.6° |
| N9 | C15 | H15 | 109.8° | 109.6° |
| C20 | N9 | S1 | 110.7° | 120.9° |
| N9 | C20 | H20 | 109.2° | 109.7° |
| N9 | C20 | H21 | 109.2° | 109.8° |
| N9 | S1 | C8 | 106.3° | 107.2° |
| N9 | S1 | O2 | 110.4° | 106.4° |
| N9 | S1 | O1 | 107.7° | 106.4° |
| C7 | C8 | S1 | 119.0° | 119.9° |
| C8 | C7 | H1 | 119.3° | 120.1° |
| C | C9 | H6 | 109.5° | 109.5° |
| C | C9 | H7 | 109.4° | 109.5° |
| C | C9 | H8 | 109.4° | 109.5° |
| C8 | S1 | O2 | 114.5° | 106.4° |
| C8 | S1 | O1 | 107.9° | 106.4° |
| O2 | S1 | O1 | 109.8° | 123.2° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H2 | C3 | H4 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.5° |
| H6 | C9 | H8 | 109.4° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.6° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.5° |
| H20 | C20 | H21 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | N1 | H5 | 180.0° | 179.8° |
| C1 | C2 | N1 | C11 | 179.9° | 179.7° |
| C2 | C1 | C10 | H11 | 180.0° | 179.8° |
| C1 | C2 | N1 | C4 | 0.1° | 0.2° |
| C2 | C1 | C10 | C | 0.1° | 0.1° |
| C2 | C1 | C10 | H9 | 179.8° | 180.0° |
| C2 | N1 | C11 | C4 | 180.0° | 179.9° |
| C2 | N1 | C11 | C5 | 179.3° | 179.9° |
| N1 | C2 | C1 | C10 | 0.2° | 0.2° |
| C2 | N1 | C4 | N2 | 179.5° | 180.0° |
| C2 | N1 | C4 | C | 0.4° | 0.1° |
| C2 | N1 | C11 | H10 | 0.7° | 0.0° |
| N1 | C2 | C1 | H11 | 179.8° | 180.0° |
| N1 | C11 | C5 | H10 | 180.0° | 179.9° |
| N1 | C11 | C5 | C16 | 177.2° | 180.0° |
| N1 | C11 | C5 | N2 | 1.6° | 0.0° |
| C11 | N1 | C4 | N2 | 0.5° | 0.0° |
| C11 | N1 | C4 | C | 179.6° | 180.0° |
| C11 | N1 | C2 | H5 | 0.1° | 0.1° |
| C11 | C5 | C16 | C14 | 6.0° | 5.1° |
| C5 | C11 | N1 | C4 | 0.7° | 0.0° |
| C11 | C5 | C16 | N2 | 174.8° | 179.9° |
| C11 | C5 | C16 | C7 | 169.8° | 175.4° |
| C11 | C5 | N2 | C4 | 1.9° | 0.0° |
| C1 | C10 | C | H9 | 180.0° | 179.9° |
| C1 | C10 | C | C4 | 0.2° | 0.3° |
| C1 | C10 | C | C9 | 179.3° | 180.0° |
| C10 | C1 | C2 | H5 | 179.8° | 180.0° |
| C13 | C14 | C16 | H13 | 180.0° | 179.7° |
| C14 | C13 | C12 | H12 | 180.0° | 179.9° |
| C13 | C14 | C16 | C5 | 177.8° | 180.0° |
| C14 | C13 | C12 | C3 | 179.3° | 180.0° |
| C14 | C13 | C12 | C8 | 1.2° | 0.1° |
| C13 | C14 | C16 | C7 | 2.1° | 0.5° |
| C16 | C14 | C13 | C12 | 1.7° | 0.3° |
| C14 | C16 | C5 | C7 | 175.8° | 179.6° |
| C14 | C16 | C5 | N2 | 179.3° | 175.0° |
| C14 | C16 | C7 | C8 | 2.1° | 0.4° |
| C14 | C16 | C7 | H1 | 177.9° | 179.7° |
| C16 | C14 | C13 | H12 | 178.4° | 179.8° |
| C13 | C12 | C3 | C8 | 179.5° | 180.0° |
| C13 | C12 | C8 | C7 | 1.2° | 0.0° |
| C13 | C12 | C8 | S1 | 179.4° | 180.0° |
| C13 | C12 | C3 | H2 | 89.7° | 89.9° |
| C13 | C12 | C3 | H3 | 150.2° | 30.0° |
| C13 | C12 | C3 | H4 | 30.3° | 150.1° |
| C12 | C13 | C14 | H13 | 178.4° | 180.0° |
| N1 | C4 | N2 | C5 | 1.6° | 0.0° |
| N1 | C4 | C | C10 | 0.4° | 0.3° |
| N1 | C4 | N2 | C | 179.0° | 180.0° |
| N1 | C4 | C | C9 | 179.0° | 180.0° |
| C4 | N1 | C2 | H5 | 179.9° | 180.0° |
| C4 | N1 | C11 | H10 | 179.3° | 179.9° |
| N18 | C17 | C15 | H16 | 120.1° | 119.9° |
| N18 | C17 | C15 | H17 | 120.1° | 120.0° |
| C17 | N18 | C19 | H22 | 119.9° | 124.2° |
| C17 | N18 | C19 | C20 | 58.6° | 63.1° |
| N18 | C17 | C15 | N9 | 62.7° | 53.9° |
| N18 | C17 | C15 | H14 | 177.5° | 173.6° |
| N18 | C17 | C15 | H15 | 57.1° | 66.0° |
| N18 | C17 | H16 | H17 | 119.7° | 120.1° |
| C17 | N18 | C19 | H18 | 178.6° | 56.8° |
| C17 | N18 | C19 | H19 | 61.3° | 176.9° |
| C15 | C17 | N18 | C19 | 61.7° | 63.1° |
| C17 | C15 | N9 | H14 | 119.8° | 119.7° |
| C17 | C15 | N9 | H15 | 119.8° | 120.0° |
| C17 | C15 | N9 | C20 | 60.8° | 51.2° |
| C17 | C15 | N9 | S1 | 178.8° | 128.8° |
| C17 | C15 | H14 | H15 | 120.7° | 120.6° |
| C15 | C17 | H16 | H17 | 119.7° | 120.1° |
| C15 | C17 | N18 | H22 | 58.2° | 61.0° |
| C16 | C5 | N2 | C4 | 177.6° | 180.0° |
| C5 | C16 | C7 | C8 | 177.9° | 180.0° |
| C5 | C16 | C7 | H1 | 2.1° | 0.2° |
| C16 | C5 | C11 | H10 | 2.8° | 0.1° |
| C5 | C16 | C14 | H13 | 2.2° | 0.3° |
| N2 | C5 | C16 | C7 | 4.9° | 4.6° |
| C5 | N2 | C4 | C | 179.5° | 180.0° |
| N2 | C5 | C11 | H10 | 178.3° | 179.9° |
| N18 | C19 | C20 | H18 | 120.0° | 119.9° |
| N18 | C19 | C20 | H19 | 120.0° | 120.0° |
| N18 | C19 | C20 | N9 | 58.9° | 53.8° |
| C19 | N18 | C17 | H16 | 58.4° | 177.0° |
| C19 | N18 | C17 | H17 | 178.2° | 56.9° |
| N18 | C19 | H18 | H19 | 120.2° | 120.1° |
| N18 | C19 | C20 | H20 | 61.3° | 65.9° |
| N18 | C19 | C20 | H21 | 179.1° | 173.8° |
| C3 | C12 | C8 | C7 | 179.3° | 180.0° |
| C3 | C12 | C8 | S1 | 1.0° | 0.0° |
| C12 | C3 | H2 | H3 | 120.0° | 120.0° |
| C12 | C3 | H2 | H4 | 120.0° | 120.0° |
| C12 | C3 | H3 | H4 | 120.0° | 120.0° |
| C3 | C12 | C13 | H12 | 0.7° | 0.0° |
| C12 | C8 | C7 | C16 | 1.6° | 0.2° |
| C12 | C8 | S1 | N9 | 85.7° | 65.0° |
| C12 | C8 | C7 | S1 | 178.4° | 180.0° |
| C12 | C8 | S1 | O2 | 36.4° | 178.5° |
| C12 | C8 | S1 | O1 | 159.0° | 48.5° |
| C12 | C8 | C7 | H1 | 178.4° | 180.0° |
| C8 | C12 | C3 | H2 | 89.8° | 90.0° |
| C8 | C12 | C3 | H3 | 30.3° | 150.0° |
| C8 | C12 | C3 | H4 | 150.2° | 30.0° |
| C8 | C12 | C13 | H12 | 178.8° | 180.0° |
| C16 | C7 | C8 | H1 | 180.0° | 179.9° |
| C16 | C7 | C8 | S1 | 180.0° | 179.8° |
| C7 | C16 | C14 | H13 | 177.9° | 179.8° |
| C19 | C20 | N9 | C15 | 60.1° | 51.2° |
| C19 | C20 | N9 | H20 | 120.2° | 119.7° |
| C19 | C20 | N9 | H21 | 120.2° | 119.8° |
| C19 | C20 | N9 | S1 | 179.0° | 128.8° |
| C20 | C19 | H18 | H19 | 120.2° | 120.1° |
| C19 | C20 | H20 | H21 | 119.4° | 120.3° |
| C20 | C19 | N18 | H22 | 61.2° | 61.1° |
| C10 | C | C4 | N2 | 179.3° | 179.7° |
| C10 | C | C4 | C9 | 179.5° | 179.7° |
| C10 | C | C9 | H6 | 89.7° | 89.8° |
| C10 | C | C9 | H7 | 150.3° | 30.3° |
| C10 | C | C9 | H8 | 30.3° | 150.3° |
| C | C10 | C1 | H11 | 179.9° | 179.7° |
| N2 | C4 | C | C9 | 0.2° | 0.0° |
| C4 | C | C9 | H6 | 89.8° | 90.0° |
| C4 | C | C9 | H7 | 30.3° | 150.0° |
| C4 | C | C9 | H8 | 150.3° | 30.0° |
| C4 | C | C10 | H9 | 179.8° | 179.8° |
| C15 | N9 | C20 | S1 | 118.9° | 180.0° |
| C15 | N9 | S1 | C8 | 80.3° | 90.0° |
| C15 | N9 | S1 | O2 | 155.0° | 156.5° |
| C15 | N9 | S1 | O1 | 35.2° | 23.6° |
| N9 | C15 | H14 | H15 | 120.7° | 120.3° |
| N9 | C15 | C17 | H16 | 57.4° | 173.8° |
| N9 | C15 | C17 | H17 | 177.2° | 66.1° |
| C15 | N9 | C20 | H20 | 60.0° | 68.5° |
| C15 | N9 | C20 | H21 | 179.7° | 171.0° |
| C20 | N9 | S1 | C8 | 160.5° | 90.0° |
| C20 | N9 | S1 | O2 | 35.8° | 23.6° |
| C20 | N9 | S1 | O1 | 84.0° | 156.4° |
| C20 | N9 | C15 | H14 | 179.4° | 170.9° |
| C20 | N9 | C15 | H15 | 58.9° | 68.7° |
| N9 | C20 | C19 | H18 | 178.8° | 66.1° |
| N9 | C20 | C19 | H19 | 61.1° | 173.8° |
| N9 | C20 | H20 | H21 | 119.4° | 120.6° |
| N9 | S1 | C8 | C7 | 92.5° | 115.0° |
| N9 | S1 | C8 | O2 | 122.1° | 113.5° |
| N9 | S1 | C8 | O1 | 115.3° | 113.5° |
| N9 | S1 | O2 | O1 | 118.6° | 122.9° |
| S1 | N9 | C15 | H14 | 59.0° | 9.1° |
| S1 | N9 | C15 | H15 | 61.5° | 111.2° |
| S1 | N9 | C20 | H20 | 58.8° | 111.5° |
| S1 | N9 | C20 | H21 | 60.8° | 9.0° |
| C7 | C8 | S1 | O2 | 145.3° | 1.4° |
| C7 | C8 | S1 | O1 | 22.8° | 131.5° |
| C | C9 | H6 | H7 | 120.0° | 120.0° |
| C | C9 | H6 | H8 | 120.0° | 120.0° |
| C | C9 | H7 | H8 | 120.0° | 120.0° |
| C9 | C | C10 | H9 | 0.7° | 0.1° |
| C8 | S1 | O2 | O1 | 121.5° | 123.0° |
| S1 | C8 | C7 | H1 | 0.0° | 0.1° |
| H2 | C3 | H3 | H4 | 120.0° | 120.0° |
| H5 | C2 | C1 | H11 | 0.2° | 0.2° |
| H6 | C9 | H7 | H8 | 120.0° | 120.0° |
| H9 | C10 | C1 | H11 | 0.1° | 0.2° |
| H12 | C13 | C14 | H13 | 1.6° | 0.0° |
| H14 | C15 | C17 | H16 | 62.4° | 66.5° |
| H14 | C15 | C17 | H17 | 57.4° | 53.6° |
| H15 | C15 | C17 | H16 | 177.2° | 53.9° |
| H15 | C15 | C17 | H17 | 63.0° | 174.0° |
| H16 | C17 | N18 | H22 | 178.3° | 58.9° |
| H17 | C17 | N18 | H22 | 61.9° | 179.0° |
| H18 | C19 | C20 | H20 | 58.7° | 174.2° |
| H18 | C19 | C20 | H21 | 61.0° | 53.8° |
| H18 | C19 | N18 | H22 | 58.7° | 179.0° |
| H19 | C19 | C20 | H20 | 178.7° | 54.1° |
| H19 | C19 | C20 | H21 | 59.1° | 66.3° |
| H19 | C19 | N18 | H22 | 178.8° | 58.9° |
