ZWK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | N22 | sing | 1.28Å | 1.36Å | Aromatic |
| N21 | C8 | doub | 1.31Å | 1.36Å | Aromatic |
| N22 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C10 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | N25 | sing | 1.38Å | 1.38Å | |
| C14 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.42Å | 1.41Å | Aromatic |
| C10 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C6 | doub | 1.36Å | 1.40Å | Aromatic |
| C13 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | N23 | sing | 1.39Å | 1.41Å | |
| C17 | N23 | sing | 1.47Å | 1.50Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| N23 | C16 | sing | 1.47Å | 1.48Å | |
| C19 | N24 | sing | 1.47Å | 1.46Å | |
| O26 | C15 | doub | 1.22Å | 1.22Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| N24 | C15 | sing | 1.35Å | 1.37Å | |
| N24 | C18 | sing | 1.47Å | 1.52Å | |
| C15 | C11 | sing | 1.48Å | 1.46Å | |
| C4 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C4 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C20 | sing | 1.51Å | 1.49Å | |
| C12 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| N25 | H20 | sing | 0.97Å | 1.00Å | |
| N25 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N22 | N21 | C8 | 119.6° | 123.5° |
| N21 | N22 | C14 | 119.1° | 123.3° |
| N21 | C8 | C10 | 123.7° | 119.1° |
| N21 | C8 | H5 | 118.1° | 120.4° |
| N22 | C14 | N25 | 117.4° | 120.6° |
| N22 | C14 | C9 | 122.7° | 118.8° |
| C8 | C10 | C9 | 116.5° | 117.7° |
| C8 | C10 | C7 | 122.9° | 122.7° |
| C10 | C8 | H5 | 118.1° | 120.4° |
| N25 | C14 | C9 | 119.9° | 120.6° |
| C14 | N25 | H20 | 109.5° | 120.0° |
| C14 | N25 | H21 | 109.5° | 120.1° |
| C14 | C9 | C10 | 118.4° | 117.6° |
| C14 | C9 | C3 | 123.0° | 122.6° |
| C9 | C10 | C7 | 120.6° | 119.6° |
| C10 | C9 | C3 | 118.6° | 119.8° |
| C10 | C7 | C13 | 120.0° | 119.2° |
| C10 | C7 | H4 | 120.0° | 120.4° |
| C9 | C3 | C6 | 120.6° | 119.6° |
| C9 | C3 | H13 | 119.7° | 120.2° |
| C7 | C13 | C6 | 120.2° | 120.7° |
| C7 | C13 | N23 | 120.3° | 119.6° |
| C13 | C7 | H4 | 120.0° | 120.4° |
| C3 | C6 | C13 | 120.0° | 121.0° |
| C3 | C6 | H3 | 120.0° | 119.5° |
| C6 | C3 | H13 | 119.7° | 120.2° |
| C6 | C13 | N23 | 119.5° | 119.6° |
| C13 | C6 | H3 | 120.0° | 119.5° |
| C13 | N23 | C17 | 116.6° | 111.0° |
| C13 | N23 | C16 | 120.6° | 111.0° |
| N23 | C17 | C19 | 114.9° | 109.3° |
| C17 | N23 | C16 | 117.9° | 111.3° |
| N23 | C17 | H6 | 108.1° | 109.5° |
| N23 | C17 | H7 | 108.1° | 109.5° |
| C17 | C19 | N24 | 110.3° | 108.5° |
| C19 | C17 | H6 | 108.1° | 109.5° |
| C19 | C17 | H7 | 108.1° | 109.5° |
| C17 | C19 | H18 | 109.3° | 109.6° |
| C17 | C19 | H19 | 109.2° | 109.6° |
| N23 | C16 | C18 | 112.4° | 109.3° |
| N23 | C16 | H14 | 108.7° | 109.5° |
| N23 | C16 | H15 | 108.7° | 109.5° |
| C19 | N24 | C15 | 115.3° | 120.9° |
| C19 | N24 | C18 | 119.6° | 118.3° |
| N24 | C19 | H18 | 109.3° | 109.6° |
| N24 | C19 | H19 | 109.3° | 109.6° |
| O26 | C15 | N24 | 127.6° | 120.0° |
| O26 | C15 | C11 | 112.1° | 120.0° |
| C16 | C18 | N24 | 113.3° | 108.5° |
| C18 | C16 | H14 | 108.8° | 109.5° |
| C18 | C16 | H15 | 108.7° | 109.5° |
| C16 | C18 | H16 | 108.5° | 109.6° |
| C16 | C18 | H17 | 108.5° | 109.6° |
| C15 | N24 | C18 | 122.3° | 120.9° |
| N24 | C15 | C11 | 120.3° | 120.0° |
| N24 | C18 | H16 | 108.5° | 109.7° |
| N24 | C18 | H17 | 108.5° | 109.8° |
| C15 | C11 | C4 | 117.9° | 120.1° |
| C15 | C11 | C12 | 117.5° | 120.1° |
| C11 | C4 | C1 | 118.4° | 119.8° |
| C4 | C11 | C12 | 124.6° | 119.7° |
| C11 | C4 | H1 | 120.8° | 120.1° |
| C4 | C1 | C2 | 117.0° | 120.1° |
| C1 | C4 | H1 | 120.8° | 120.1° |
| C4 | C1 | H11 | 121.5° | 119.9° |
| C11 | C12 | C20 | 121.4° | 120.1° |
| C11 | C12 | C5 | 116.7° | 119.8° |
| C1 | C2 | C5 | 123.8° | 120.3° |
| C2 | C1 | H11 | 121.5° | 120.0° |
| C1 | C2 | H12 | 118.1° | 119.8° |
| C20 | C12 | C5 | 121.9° | 120.1° |
| C12 | C20 | H8 | 109.5° | 109.4° |
| C12 | C20 | H9 | 109.4° | 109.5° |
| C12 | C20 | H10 | 109.4° | 109.5° |
| C12 | C5 | C2 | 119.5° | 120.2° |
| C12 | C5 | H2 | 120.3° | 119.9° |
| C2 | C5 | H2 | 120.2° | 119.9° |
| C5 | C2 | H12 | 118.1° | 119.9° |
| H6 | C17 | H7 | 109.4° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H8 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.6° |
| H18 | C19 | H19 | 109.5° | 109.8° |
| H20 | N25 | H21 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | N21 | C8 | C10 | 0.4° | 0.6° |
| N21 | N22 | C14 | N25 | 179.7° | 180.0° |
| N21 | N22 | C14 | C9 | 0.1° | 0.0° |
| N22 | N21 | C8 | H5 | 179.6° | 180.0° |
| C8 | N21 | N22 | C14 | 0.3° | 0.3° |
| N21 | C8 | C10 | H5 | 180.0° | 179.4° |
| N21 | C8 | C10 | C9 | 0.0° | 0.5° |
| N21 | C8 | C10 | C7 | 179.5° | 179.7° |
| N22 | C14 | N25 | C9 | 179.8° | 179.9° |
| N22 | C14 | C9 | C10 | 0.4° | 0.0° |
| N22 | C14 | C9 | C3 | 179.7° | 179.7° |
| N22 | C14 | N25 | H20 | 0.0° | 179.9° |
| N22 | C14 | N25 | H21 | 120.0° | 0.0° |
| C8 | C10 | C9 | C14 | 0.4° | 0.3° |
| C8 | C10 | C9 | C7 | 179.5° | 179.8° |
| C8 | C10 | C9 | C3 | 179.6° | 179.9° |
| C8 | C10 | C7 | C13 | 179.7° | 180.0° |
| C8 | C10 | C7 | H4 | 0.3° | 0.0° |
| N25 | C14 | C9 | C10 | 179.4° | 180.0° |
| N25 | C14 | C9 | C3 | 0.2° | 0.4° |
| C14 | N25 | H20 | H21 | 120.0° | 180.0° |
| C14 | C9 | C10 | C3 | 179.3° | 179.7° |
| C14 | C9 | C10 | C7 | 179.1° | 179.9° |
| C14 | C9 | C3 | C6 | 179.9° | 179.7° |
| C14 | C9 | C3 | H13 | 0.0° | 0.4° |
| C9 | C14 | N25 | H20 | 179.8° | 0.0° |
| C9 | C14 | N25 | H21 | 60.1° | 180.0° |
| C9 | C10 | C7 | C13 | 0.9° | 0.3° |
| C10 | C9 | C3 | C6 | 0.7° | 0.0° |
| C9 | C10 | C7 | H4 | 179.1° | 179.7° |
| C9 | C10 | C8 | H5 | 179.9° | 180.0° |
| C10 | C9 | C3 | H13 | 179.2° | 180.0° |
| C7 | C10 | C9 | C3 | 0.2° | 0.3° |
| C10 | C7 | C13 | H4 | 180.0° | 180.0° |
| C10 | C7 | C13 | C6 | 0.7° | 0.0° |
| C10 | C7 | C13 | N23 | 179.6° | 180.0° |
| C7 | C10 | C8 | H5 | 0.5° | 0.3° |
| C9 | C3 | C6 | H13 | 180.0° | 179.9° |
| C9 | C3 | C6 | C13 | 0.9° | 0.2° |
| C9 | C3 | C6 | H3 | 179.1° | 180.0° |
| C7 | C13 | C6 | C3 | 0.2° | 0.2° |
| C7 | C13 | C6 | N23 | 179.7° | 180.0° |
| C7 | C13 | N23 | C17 | 2.1° | 180.0° |
| C7 | C13 | N23 | C16 | 152.8° | 55.7° |
| C7 | C13 | C6 | H3 | 179.8° | 179.9° |
| C3 | C6 | C13 | H3 | 180.0° | 179.8° |
| C3 | C6 | C13 | N23 | 179.5° | 179.8° |
| C6 | C13 | N23 | C17 | 178.2° | 0.0° |
| C6 | C13 | N23 | C16 | 27.0° | 124.3° |
| C6 | C13 | C7 | H4 | 179.3° | 180.0° |
| C13 | C6 | C3 | H13 | 179.0° | 179.7° |
| C13 | N23 | C17 | C16 | 155.5° | 124.1° |
| C13 | N23 | C17 | C19 | 157.9° | 172.8° |
| C13 | N23 | C16 | C18 | 163.3° | 172.7° |
| N23 | C13 | C6 | H3 | 0.5° | 0.1° |
| N23 | C13 | C7 | H4 | 0.4° | 0.0° |
| C13 | N23 | C17 | H6 | 37.1° | 67.3° |
| C13 | N23 | C17 | H7 | 81.3° | 52.8° |
| C13 | N23 | C16 | H14 | 76.2° | 52.8° |
| C13 | N23 | C16 | H15 | 42.9° | 67.3° |
| N23 | C17 | C19 | H6 | 120.8° | 120.0° |
| N23 | C17 | C19 | H7 | 120.8° | 119.9° |
| N23 | C17 | C19 | N24 | 45.4° | 53.8° |
| C17 | N23 | C16 | C18 | 42.2° | 63.1° |
| N23 | C17 | H6 | H7 | 117.5° | 120.1° |
| C17 | N23 | C16 | H14 | 78.3° | 176.9° |
| C17 | N23 | C16 | H15 | 162.6° | 56.8° |
| N23 | C17 | C19 | H18 | 74.7° | 65.8° |
| N23 | C17 | C19 | H19 | 165.5° | 173.5° |
| C19 | C17 | N23 | C16 | 46.6° | 63.1° |
| C17 | C19 | N24 | H18 | 120.1° | 119.7° |
| C17 | C19 | N24 | H19 | 120.1° | 119.7° |
| C17 | C19 | N24 | C15 | 115.0° | 128.8° |
| C17 | C19 | N24 | C18 | 46.4° | 51.2° |
| C19 | C17 | H6 | H7 | 117.5° | 120.1° |
| C17 | C19 | H18 | H19 | 119.6° | 120.5° |
| N23 | C16 | C18 | H14 | 120.4° | 120.0° |
| N23 | C16 | C18 | H15 | 120.4° | 120.0° |
| N23 | C16 | C18 | N24 | 38.9° | 53.8° |
| C16 | N23 | C17 | H6 | 167.4° | 56.8° |
| C16 | N23 | C17 | H7 | 74.2° | 176.9° |
| N23 | C16 | H14 | H15 | 118.7° | 120.1° |
| N23 | C16 | C18 | H16 | 159.5° | 173.5° |
| N23 | C16 | C18 | H17 | 81.7° | 66.1° |
| C19 | N24 | C15 | O26 | 0.5° | 5.5° |
| C19 | N24 | C18 | C16 | 44.4° | 51.2° |
| C19 | N24 | C15 | C18 | 160.9° | 180.0° |
| C19 | N24 | C15 | C11 | 179.5° | 174.4° |
| N24 | C19 | C17 | H6 | 166.2° | 66.1° |
| N24 | C19 | C17 | H7 | 75.4° | 173.8° |
| C19 | N24 | C18 | H16 | 165.0° | 170.9° |
| C19 | N24 | C18 | H17 | 76.2° | 68.6° |
| N24 | C19 | H18 | H19 | 119.6° | 120.5° |
| O26 | C15 | N24 | C11 | 179.9° | 179.9° |
| O26 | C15 | N24 | C18 | 160.4° | 174.5° |
| O26 | C15 | C11 | C4 | 77.4° | 125.5° |
| O26 | C15 | C11 | C12 | 99.6° | 54.5° |
| C16 | C18 | N24 | C15 | 115.7° | 128.8° |
| C16 | C18 | N24 | H16 | 120.6° | 119.7° |
| C16 | C18 | N24 | H17 | 120.6° | 119.8° |
| C18 | C16 | H14 | H15 | 118.7° | 120.0° |
| C16 | C18 | H16 | H17 | 118.2° | 120.3° |
| N24 | C15 | C11 | C4 | 102.6° | 54.4° |
| N24 | C15 | C11 | C12 | 80.3° | 125.5° |
| C15 | N24 | C18 | H16 | 4.9° | 9.1° |
| C15 | N24 | C18 | H17 | 123.7° | 111.4° |
| C15 | N24 | C19 | H18 | 124.9° | 111.5° |
| C15 | N24 | C19 | H19 | 5.1° | 9.1° |
| C18 | N24 | C15 | C11 | 19.7° | 5.6° |
| N24 | C18 | C16 | H14 | 81.5° | 173.8° |
| N24 | C18 | C16 | H15 | 159.3° | 66.2° |
| N24 | C18 | H16 | H17 | 118.3° | 120.7° |
| C18 | N24 | C19 | H18 | 73.7° | 68.5° |
| C18 | N24 | C19 | H19 | 166.5° | 170.9° |
| C15 | C11 | C4 | C12 | 176.8° | 179.9° |
| C15 | C11 | C4 | C1 | 177.8° | 179.9° |
| C15 | C11 | C12 | C20 | 2.5° | 0.1° |
| C15 | C11 | C12 | C5 | 177.4° | 179.9° |
| C15 | C11 | C4 | H1 | 2.2° | 0.3° |
| C11 | C4 | C1 | H1 | 180.0° | 179.8° |
| C11 | C4 | C1 | C2 | 1.3° | 0.0° |
| C4 | C11 | C12 | C20 | 179.4° | 180.0° |
| C4 | C11 | C12 | C5 | 0.5° | 0.0° |
| C11 | C4 | C1 | H11 | 178.7° | 180.0° |
| C1 | C4 | C11 | C12 | 1.0° | 0.0° |
| C4 | C1 | C2 | H11 | 180.0° | 180.0° |
| C4 | C1 | C2 | C5 | 1.2° | 0.1° |
| C4 | C1 | C2 | H12 | 178.8° | 180.0° |
| C11 | C12 | C20 | C5 | 179.9° | 180.0° |
| C11 | C12 | C5 | C2 | 0.4° | 0.0° |
| C12 | C11 | C4 | H1 | 179.0° | 179.8° |
| C11 | C12 | C5 | H2 | 179.7° | 179.9° |
| C11 | C12 | C20 | H8 | 89.9° | 94.9° |
| C11 | C12 | C20 | H9 | 150.1° | 145.1° |
| C11 | C12 | C20 | H10 | 30.1° | 25.0° |
| C1 | C2 | C5 | C12 | 0.8° | 0.0° |
| C1 | C2 | C5 | H12 | 180.0° | 180.0° |
| C2 | C1 | C4 | H1 | 178.7° | 179.8° |
| C1 | C2 | C5 | H2 | 179.2° | 180.0° |
| C20 | C12 | C5 | C2 | 179.5° | 180.0° |
| C20 | C12 | C5 | H2 | 0.5° | 0.0° |
| C12 | C20 | H8 | H9 | 120.0° | 120.0° |
| C12 | C20 | H8 | H10 | 120.0° | 120.0° |
| C12 | C20 | H9 | H10 | 119.9° | 120.1° |
| C12 | C5 | C2 | H2 | 180.0° | 179.9° |
| C5 | C12 | C20 | H8 | 89.9° | 85.1° |
| C5 | C12 | C20 | H9 | 30.1° | 34.9° |
| C5 | C12 | C20 | H10 | 150.1° | 154.9° |
| C12 | C5 | C2 | H12 | 179.2° | 180.0° |
| C5 | C2 | C1 | H11 | 178.8° | 180.0° |
| H1 | C4 | C1 | H11 | 1.3° | 0.2° |
| H2 | C5 | C2 | H12 | 0.7° | 0.0° |
| H3 | C6 | C3 | H13 | 1.0° | 0.1° |
| H6 | C17 | C19 | H18 | 46.1° | 174.2° |
| H6 | C17 | C19 | H19 | 73.6° | 53.6° |
| H7 | C17 | C19 | H18 | 164.4° | 54.1° |
| H7 | C17 | C19 | H19 | 44.7° | 66.5° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C1 | C2 | H12 | 1.2° | 0.0° |
| H14 | C16 | C18 | H16 | 39.1° | 66.5° |
| H14 | C16 | C18 | H17 | 157.9° | 53.9° |
| H15 | C16 | C18 | H16 | 80.1° | 53.6° |
| H15 | C16 | C18 | H17 | 38.7° | 173.9° |
