W9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C1 | doub | 1.42Å | 1.46Å | Aromatic |
| N1 | C1 | sing | 1.34Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | N1 | doub | 1.31Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | N2 | sing | 1.40Å | 1.31Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.38Å | Aromatic |
| N2 | C14 | sing | 1.37Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.45Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | N3 | doub | 1.32Å | 1.37Å | Aromatic |
| C16 | C4 | doub | 1.36Å | 1.44Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.58Å | |
| N4 | N5 | sing | 1.40Å | 1.30Å | Aromatic |
| N4 | C9 | doub | 1.31Å | 1.29Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C5 | C15 | sing | 1.53Å | 1.55Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | N5 | sing | 1.46Å | 1.46Å | |
| N5 | C10 | sing | 1.35Å | 1.39Å | Aromatic |
| C6 | N10 | doub | 1.31Å | 1.30Å | Aromatic |
| C14 | N6 | doub | 1.32Å | 1.28Å | Aromatic |
| N10 | N6 | sing | 1.29Å | 1.30Å | Aromatic |
| C8 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C12 | sing | 1.41Å | 1.44Å | Aromatic |
| C9 | C8 | sing | 1.41Å | 1.46Å | Aromatic |
| C10 | C8 | doub | 1.37Å | 1.39Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.36Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.40Å | 1.46Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C19 | C18 | doub | 1.37Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C1 | N1 | 123.4° | 119.8° |
| C17 | C1 | C2 | 118.4° | 119.1° |
| C1 | C17 | C16 | 120.5° | 119.6° |
| C1 | C17 | C18 | 117.1° | 119.0° |
| N1 | C1 | C2 | 118.1° | 121.1° |
| C1 | N1 | C20 | 118.4° | 121.3° |
| C1 | C2 | C3 | 121.0° | 119.7° |
| C1 | C2 | H2 | 119.5° | 120.1° |
| N1 | C20 | C19 | 123.0° | 121.7° |
| N1 | C20 | H20 | 118.5° | 119.1° |
| C3 | C2 | H2 | 119.5° | 120.2° |
| C2 | C3 | C4 | 122.4° | 121.1° |
| C2 | C3 | H3 | 118.8° | 119.5° |
| N3 | N2 | C6 | 131.4° | 133.8° |
| N3 | N2 | C14 | 125.1° | 120.1° |
| N2 | N3 | C7 | 117.5° | 120.4° |
| C6 | N2 | C14 | 103.5° | 106.1° |
| N2 | C6 | C5 | 127.0° | 126.2° |
| N2 | C6 | N10 | 107.8° | 107.6° |
| N2 | C14 | N6 | 109.4° | 106.8° |
| N2 | C14 | C13 | 120.9° | 119.4° |
| C4 | C3 | H3 | 118.8° | 119.4° |
| C3 | C4 | C16 | 117.3° | 120.9° |
| C3 | C4 | C5 | 119.6° | 119.6° |
| N3 | C7 | C8 | 117.3° | 119.6° |
| N3 | C7 | C12 | 121.7° | 120.8° |
| C16 | C4 | C5 | 123.1° | 119.6° |
| C4 | C16 | C17 | 120.4° | 119.6° |
| C4 | C16 | H16 | 119.8° | 120.2° |
| C4 | C5 | C6 | 106.8° | 109.5° |
| C4 | C5 | C15 | 104.8° | 109.5° |
| C4 | C5 | H5 | 110.8° | 109.4° |
| N5 | N4 | C9 | 109.0° | 108.6° |
| N4 | N5 | C11 | 123.9° | 125.9° |
| N4 | N5 | C10 | 113.1° | 108.2° |
| N4 | C9 | C8 | 108.8° | 108.0° |
| N4 | C9 | H9 | 125.6° | 126.0° |
| C6 | C5 | C15 | 111.2° | 109.5° |
| C6 | C5 | H5 | 111.5° | 109.5° |
| C5 | C6 | N10 | 125.2° | 126.2° |
| C15 | C5 | H5 | 111.3° | 109.5° |
| C5 | C15 | H15 | 109.5° | 109.5° |
| C5 | C15 | H15A | 109.4° | 109.4° |
| C5 | C15 | H15B | 109.5° | 109.5° |
| C11 | N5 | C10 | 123.1° | 125.9° |
| N5 | C11 | H11 | 109.5° | 109.5° |
| N5 | C11 | H11A | 109.5° | 109.5° |
| N5 | C11 | H11B | 109.5° | 109.5° |
| N5 | C10 | C8 | 103.9° | 107.6° |
| N5 | C10 | H10 | 128.0° | 126.2° |
| C6 | N10 | N6 | 110.7° | 110.2° |
| C14 | N6 | N10 | 108.7° | 109.3° |
| N6 | C14 | C13 | 129.8° | 133.8° |
| C8 | C7 | C12 | 121.0° | 119.7° |
| C7 | C8 | C9 | 126.6° | 126.2° |
| C7 | C8 | C10 | 128.2° | 126.3° |
| C7 | C12 | C13 | 119.6° | 120.1° |
| C7 | C12 | H12 | 120.2° | 119.9° |
| C9 | C8 | C10 | 105.2° | 107.5° |
| C8 | C9 | H9 | 125.6° | 126.0° |
| C8 | C10 | H10 | 128.1° | 126.2° |
| H11 | C11 | H11A | 109.5° | 109.5° |
| H11 | C11 | H11B | 109.4° | 109.5° |
| H11A | C11 | H11B | 109.4° | 109.4° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | C14 | 115.2° | 119.2° |
| C12 | C13 | H13 | 122.4° | 120.5° |
| C14 | C13 | H13 | 122.4° | 120.4° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| C17 | C16 | H16 | 119.8° | 120.2° |
| C16 | C17 | C18 | 122.4° | 121.4° |
| C17 | C18 | C19 | 119.4° | 118.1° |
| C17 | C18 | H18 | 120.3° | 120.9° |
| C19 | C18 | H18 | 120.3° | 121.0° |
| C18 | C19 | C20 | 118.7° | 120.0° |
| C18 | C19 | H19 | 120.7° | 120.0° |
| C20 | C19 | H19 | 120.7° | 120.0° |
| C19 | C20 | H20 | 118.5° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C1 | N1 | C2 | 179.9° | 179.7° |
| C17 | C1 | N1 | C20 | 0.1° | 0.3° |
| C17 | C1 | C2 | C3 | 0.5° | 0.3° |
| C17 | C1 | C2 | H2 | 179.5° | 179.7° |
| C1 | C17 | C16 | C4 | 0.1° | 0.6° |
| C1 | C17 | C16 | C18 | 179.6° | 179.4° |
| C1 | C17 | C16 | H16 | 179.9° | 179.7° |
| C1 | C17 | C18 | C19 | 0.2° | 0.0° |
| C1 | C17 | C18 | H18 | 179.8° | 180.0° |
| N1 | C1 | C2 | C3 | 179.4° | 179.9° |
| N1 | C1 | C2 | H2 | 0.6° | 0.0° |
| N1 | C1 | C17 | C16 | 179.3° | 179.7° |
| N1 | C1 | C17 | C18 | 0.3° | 0.3° |
| C1 | N1 | C20 | C19 | 0.2° | 0.0° |
| C1 | N1 | C20 | H20 | 179.9° | 179.7° |
| C2 | C1 | N1 | C20 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C17 | C16 | 0.5° | 0.6° |
| C2 | C1 | C17 | C18 | 179.9° | 180.0° |
| N1 | C20 | C19 | C18 | 0.3° | 0.3° |
| N1 | C20 | C19 | H20 | 180.0° | 179.6° |
| N1 | C20 | C19 | H19 | 179.7° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C16 | 0.4° | 0.0° |
| C2 | C3 | C4 | C5 | 178.6° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.1° |
| N3 | N2 | C6 | C14 | 179.4° | 179.7° |
| N3 | N2 | C6 | C5 | 1.0° | 0.2° |
| N3 | N2 | C6 | N10 | 178.6° | 179.7° |
| N3 | N2 | C14 | N6 | 178.9° | 179.8° |
| N2 | N3 | C7 | C8 | 177.9° | 180.0° |
| N2 | N3 | C7 | C12 | 0.9° | 0.0° |
| N3 | N2 | C14 | C13 | 0.8° | 0.6° |
| C6 | N2 | N3 | C7 | 179.2° | 180.0° |
| N2 | C6 | C5 | C4 | 70.7° | 120.0° |
| N2 | C6 | C5 | N10 | 179.5° | 180.0° |
| N2 | C6 | C5 | C15 | 175.5° | 120.0° |
| N2 | C6 | C5 | H5 | 50.5° | 0.0° |
| C6 | N2 | C14 | N6 | 0.5° | 0.0° |
| N2 | C6 | N10 | N6 | 0.8° | 0.0° |
| C6 | N2 | C14 | C13 | 179.7° | 179.6° |
| C14 | N2 | N3 | C7 | 0.1° | 0.3° |
| C14 | N2 | C6 | C5 | 179.6° | 180.0° |
| C14 | N2 | C6 | N10 | 0.8° | 0.0° |
| N2 | C14 | N6 | C13 | 179.7° | 179.5° |
| N2 | C14 | N6 | N10 | 0.1° | 0.0° |
| N2 | C14 | C13 | C12 | 0.9° | 0.6° |
| N2 | C14 | C13 | H13 | 179.1° | 179.7° |
| C3 | C4 | C16 | C5 | 179.0° | 179.9° |
| C3 | C4 | C5 | C6 | 76.9° | 60.0° |
| C3 | C4 | C5 | C15 | 41.2° | 60.0° |
| C3 | C4 | C5 | H5 | 161.4° | 180.0° |
| C3 | C4 | C16 | C17 | 0.3° | 0.4° |
| C3 | C4 | C16 | H16 | 179.6° | 180.0° |
| H3 | C3 | C4 | C16 | 179.6° | 179.9° |
| H3 | C3 | C4 | C5 | 1.4° | 0.0° |
| N3 | C7 | C8 | C12 | 178.8° | 179.9° |
| N3 | C7 | C8 | C9 | 0.0° | 180.0° |
| N3 | C7 | C8 | C10 | 179.3° | 0.0° |
| N3 | C7 | C12 | C13 | 0.8° | 0.0° |
| N3 | C7 | C12 | H12 | 179.3° | 180.0° |
| C16 | C4 | C5 | C6 | 104.1° | 120.0° |
| C16 | C4 | C5 | C15 | 137.7° | 119.9° |
| C16 | C4 | C5 | H5 | 17.5° | 0.0° |
| C4 | C16 | C17 | H16 | 180.0° | 179.7° |
| C4 | C16 | C17 | C18 | 179.7° | 180.0° |
| C4 | C5 | C6 | C15 | 113.8° | 120.0° |
| C4 | C5 | C6 | H5 | 121.2° | 120.0° |
| C4 | C5 | C15 | H5 | 119.9° | 120.0° |
| C4 | C5 | C6 | N10 | 109.8° | 60.0° |
| C4 | C5 | C15 | H15 | 180.0° | 60.0° |
| C4 | C5 | C15 | H15A | 60.0° | 59.9° |
| C4 | C5 | C15 | H15B | 60.0° | 180.0° |
| C5 | C4 | C16 | C17 | 178.6° | 179.7° |
| C5 | C4 | C16 | H16 | 1.4° | 0.1° |
| N4 | N5 | C11 | C10 | 180.0° | 180.0° |
| N5 | N4 | C9 | C8 | 0.1° | 0.0° |
| N4 | N5 | C10 | C8 | 0.1° | 0.0° |
| N5 | N4 | C9 | H9 | 180.0° | 180.0° |
| N4 | N5 | C10 | H10 | 179.8° | 180.0° |
| N4 | N5 | C11 | H11 | 0.0° | 90.0° |
| N4 | N5 | C11 | H11A | 120.0° | 150.0° |
| N4 | N5 | C11 | H11B | 120.0° | 30.0° |
| C9 | N4 | N5 | C11 | 180.0° | 180.0° |
| C9 | N4 | N5 | C10 | 0.0° | 0.0° |
| N4 | C9 | C8 | C7 | 179.2° | 180.0° |
| N4 | C9 | C8 | H9 | 180.0° | 180.0° |
| N4 | C9 | C8 | C10 | 0.2° | 0.0° |
| C6 | C5 | C15 | H5 | 125.1° | 120.0° |
| C5 | C6 | N10 | N6 | 179.6° | 180.0° |
| C6 | C5 | C15 | H15 | 64.9° | 60.1° |
| C6 | C5 | C15 | H15A | 55.1° | 180.0° |
| C6 | C5 | C15 | H15B | 175.1° | 60.0° |
| C15 | C5 | C6 | N10 | 4.1° | 60.0° |
| C5 | C15 | H15 | H15A | 120.0° | 119.9° |
| C5 | C15 | H15 | H15B | 120.0° | 120.0° |
| C5 | C15 | H15A | H15B | 120.0° | 120.0° |
| H5 | C5 | C6 | N10 | 129.0° | 180.0° |
| H5 | C5 | C15 | H15 | 60.2° | 179.9° |
| H5 | C5 | C15 | H15A | 179.9° | 60.0° |
| H5 | C5 | C15 | H15B | 59.8° | 60.0° |
| C11 | N5 | C10 | C8 | 179.9° | 180.0° |
| C11 | N5 | C10 | H10 | 0.1° | 0.0° |
| N5 | C11 | H11 | H11A | 120.0° | 120.0° |
| N5 | C11 | H11 | H11B | 120.0° | 120.0° |
| N5 | C11 | H11A | H11B | 120.0° | 120.0° |
| N5 | C10 | C8 | C7 | 179.2° | 180.0° |
| N5 | C10 | C8 | C9 | 0.2° | 0.0° |
| N5 | C10 | C8 | H10 | 180.0° | 180.0° |
| C10 | N5 | C11 | H11 | 180.0° | 90.0° |
| C10 | N5 | C11 | H11A | 60.0° | 30.0° |
| C10 | N5 | C11 | H11B | 60.0° | 149.9° |
| C6 | N10 | N6 | C14 | 0.5° | 0.0° |
| N6 | C14 | C13 | C12 | 178.8° | 179.9° |
| N6 | C14 | C13 | H13 | 1.2° | 0.2° |
| N10 | N6 | C14 | C13 | 179.8° | 179.5° |
| C7 | C8 | C9 | C10 | 179.4° | 180.0° |
| C7 | C8 | C9 | H9 | 0.8° | 0.0° |
| C7 | C8 | C10 | H10 | 0.8° | 0.1° |
| C8 | C7 | C12 | C13 | 178.0° | 180.0° |
| C8 | C7 | C12 | H12 | 2.0° | 0.0° |
| C12 | C7 | C8 | C9 | 178.7° | 0.1° |
| C12 | C7 | C8 | C10 | 0.5° | 179.9° |
| C7 | C12 | C13 | H12 | 180.0° | 180.0° |
| C7 | C12 | C13 | C14 | 0.2° | 0.3° |
| C7 | C12 | C13 | H13 | 179.8° | 180.0° |
| C9 | C8 | C10 | H10 | 179.8° | 180.0° |
| C10 | C8 | C9 | H9 | 179.9° | 180.0° |
| H11 | C11 | H11A | H11B | 119.9° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.7° |
| H12 | C12 | C13 | C14 | 179.8° | 179.7° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.1° |
| C16 | C17 | C18 | C19 | 179.4° | 179.4° |
| C16 | C17 | C18 | H18 | 0.6° | 0.6° |
| H16 | C16 | C17 | C18 | 0.3° | 0.3° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| H18 | C18 | C19 | C20 | 179.9° | 179.7° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.3° | 0.3° |
