WAL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C7 | C18 | sing | 1.51Å | 1.48Å | |
| N8 | C7 | doub | 1.31Å | 1.36Å | Aromatic |
| N9 | N8 | sing | 1.29Å | 1.32Å | Aromatic |
| C5 | N9 | doub | 1.32Å | 1.35Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| N4 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.46Å | Aromatic |
| C10 | C1 | sing | 1.48Å | 1.46Å | |
| N15 | C10 | doub | 1.33Å | 1.36Å | Aromatic |
| C14 | N15 | sing | 1.32Å | 1.38Å | Aromatic |
| C12 | N13 | sing | 1.32Å | 1.34Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| N13 | C14 | doub | 1.33Å | 1.37Å | Aromatic |
| N16 | C14 | sing | 1.39Å | 1.40Å | |
| C17 | N16 | sing | 1.39Å | 1.39Å | |
| C26 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| N24 | C25 | doub | 1.31Å | 1.37Å | Aromatic |
| N23 | N24 | sing | 1.40Å | 1.38Å | Aromatic |
| C27 | N23 | sing | 1.47Å | 1.46Å | |
| C7 | N4 | sing | 1.36Å | 1.38Å | Aromatic |
| C5 | N4 | sing | 1.37Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | N23 | sing | 1.35Å | 1.39Å | Aromatic |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C20 | C19 | 112.0° | 109.5° |
| C20 | C22 | H221 | 109.5° | 109.4° |
| C20 | C22 | H223 | 109.5° | 109.5° |
| C20 | C22 | H222 | 109.5° | 109.5° |
| C22 | C20 | H202 | 108.8° | 109.5° |
| C22 | C20 | H201 | 108.8° | 109.5° |
| C20 | C19 | C21 | 109.9° | 109.4° |
| C20 | C19 | C18 | 110.3° | 109.5° |
| C20 | C19 | H191 | 108.7° | 109.5° |
| C19 | C20 | H202 | 108.8° | 109.4° |
| C19 | C20 | H201 | 108.8° | 109.5° |
| C21 | C19 | C18 | 109.8° | 109.5° |
| C21 | C19 | H191 | 109.0° | 109.5° |
| C19 | C21 | H212 | 109.5° | 109.5° |
| C19 | C21 | H213 | 109.5° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.5° |
| C19 | C18 | C7 | 112.3° | 109.5° |
| C19 | C18 | H182 | 108.8° | 109.5° |
| C19 | C18 | H181 | 108.7° | 109.5° |
| C18 | C19 | H191 | 109.1° | 109.5° |
| C18 | C7 | N8 | 128.4° | 126.3° |
| C18 | C7 | N4 | 124.8° | 126.2° |
| C7 | C18 | H182 | 108.7° | 109.4° |
| C7 | C18 | H181 | 108.8° | 109.5° |
| C7 | N8 | N9 | 110.8° | 110.3° |
| N8 | C7 | N4 | 106.7° | 107.6° |
| N8 | N9 | C5 | 108.7° | 109.4° |
| N9 | C5 | C6 | 132.2° | 133.3° |
| N9 | C5 | N4 | 107.5° | 106.9° |
| C5 | C6 | C1 | 118.5° | 119.0° |
| C6 | C5 | N4 | 120.4° | 119.8° |
| C5 | C6 | H61 | 120.7° | 120.5° |
| C6 | C1 | C2 | 119.6° | 119.4° |
| C6 | C1 | C10 | 126.0° | 120.3° |
| C1 | C6 | H61 | 120.7° | 120.5° |
| C2 | C3 | N4 | 118.5° | 120.8° |
| C3 | C2 | C1 | 121.9° | 120.2° |
| C3 | C2 | H21 | 119.0° | 119.9° |
| C2 | C3 | H31 | 120.8° | 119.6° |
| C3 | N4 | C7 | 132.6° | 133.4° |
| C3 | N4 | C5 | 121.1° | 120.8° |
| N4 | C3 | H31 | 120.8° | 119.6° |
| C2 | C1 | C10 | 114.4° | 120.3° |
| C1 | C2 | H21 | 119.1° | 119.9° |
| C1 | C10 | N15 | 116.1° | 120.5° |
| C1 | C10 | C11 | 121.0° | 120.5° |
| C10 | N15 | C14 | 115.3° | 120.6° |
| N15 | C10 | C11 | 122.9° | 119.0° |
| N15 | C14 | N13 | 125.9° | 121.7° |
| N15 | C14 | N16 | 119.9° | 119.1° |
| N13 | C12 | C11 | 123.7° | 119.3° |
| C12 | N13 | C14 | 115.8° | 121.0° |
| N13 | C12 | H121 | 118.1° | 120.3° |
| C12 | C11 | C10 | 116.3° | 118.4° |
| C11 | C12 | H121 | 118.1° | 120.4° |
| C12 | C11 | H111 | 121.8° | 120.7° |
| N13 | C14 | N16 | 114.2° | 119.1° |
| C14 | N16 | C17 | 126.5° | 120.0° |
| C14 | N16 | H161 | 116.7° | 120.0° |
| N16 | C17 | C26 | 132.4° | 126.2° |
| N16 | C17 | N23 | 121.0° | 126.3° |
| C17 | N16 | H161 | 116.8° | 119.9° |
| C17 | C26 | C25 | 106.3° | 107.8° |
| C26 | C17 | N23 | 106.6° | 107.5° |
| C17 | C26 | H261 | 126.9° | 126.1° |
| C26 | C25 | N24 | 110.1° | 108.4° |
| C26 | C25 | H251 | 125.0° | 125.8° |
| C25 | C26 | H261 | 126.9° | 126.1° |
| C25 | N24 | N23 | 106.0° | 108.3° |
| N24 | C25 | H251 | 125.0° | 125.8° |
| N24 | N23 | C27 | 121.6° | 126.0° |
| N24 | N23 | C17 | 111.1° | 108.0° |
| C27 | N23 | C17 | 127.3° | 126.0° |
| N23 | C27 | H273 | 109.5° | 109.5° |
| N23 | C27 | H272 | 109.5° | 109.5° |
| N23 | C27 | H271 | 109.5° | 109.5° |
| C7 | N4 | C5 | 106.3° | 105.8° |
| C10 | C11 | H111 | 121.9° | 120.9° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H223 | C22 | H222 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.4° |
| H213 | C21 | H211 | 109.5° | 109.4° |
| H273 | C27 | H272 | 109.4° | 109.4° |
| H273 | C27 | H271 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C20 | C19 | H202 | 120.4° | 120.0° |
| C22 | C20 | C19 | H201 | 120.4° | 120.0° |
| C22 | C20 | C19 | C21 | 63.9° | 65.0° |
| C22 | C20 | C19 | C18 | 174.9° | 175.0° |
| C20 | C22 | H221 | H223 | 120.0° | 120.0° |
| C20 | C22 | H221 | H222 | 120.0° | 120.0° |
| C20 | C22 | H223 | H222 | 120.0° | 120.0° |
| C22 | C20 | C19 | H191 | 55.4° | 55.0° |
| C22 | C20 | H202 | H201 | 118.8° | 120.0° |
| C20 | C19 | C21 | C18 | 121.5° | 120.0° |
| C20 | C19 | C21 | H191 | 119.0° | 119.9° |
| C20 | C19 | C18 | H191 | 119.3° | 120.0° |
| C20 | C19 | C18 | C7 | 63.3° | 175.0° |
| C20 | C19 | C18 | H182 | 57.1° | 65.0° |
| C20 | C19 | C18 | H181 | 176.2° | 55.0° |
| C19 | C20 | C22 | H221 | 180.0° | 180.0° |
| C19 | C20 | C22 | H223 | 60.0° | 60.0° |
| C19 | C20 | C22 | H222 | 60.0° | 60.0° |
| C19 | C20 | H202 | H201 | 118.8° | 120.0° |
| C20 | C19 | C21 | H212 | 180.0° | 60.1° |
| C20 | C19 | C21 | H213 | 60.0° | 60.0° |
| C20 | C19 | C21 | H211 | 60.0° | 180.0° |
| C21 | C19 | C18 | H191 | 119.4° | 120.0° |
| C21 | C19 | C18 | C7 | 175.4° | 65.0° |
| C21 | C19 | C18 | H182 | 64.2° | 55.0° |
| C21 | C19 | C18 | H181 | 55.0° | 175.0° |
| C21 | C19 | C20 | H202 | 175.8° | 175.0° |
| C21 | C19 | C20 | H201 | 56.5° | 55.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.1° |
| C19 | C21 | H212 | H211 | 120.0° | 120.0° |
| C19 | C21 | H213 | H211 | 120.0° | 120.0° |
| C19 | C18 | C7 | H182 | 120.4° | 120.0° |
| C19 | C18 | C7 | H181 | 120.4° | 120.0° |
| C19 | C18 | C7 | N8 | 100.3° | 90.0° |
| C19 | C18 | C7 | N4 | 79.1° | 90.0° |
| C19 | C18 | H182 | H181 | 118.7° | 120.0° |
| C18 | C19 | C20 | H202 | 54.6° | 55.0° |
| C18 | C19 | C20 | H201 | 64.7° | 65.0° |
| C18 | C19 | C21 | H212 | 58.5° | 60.0° |
| C18 | C19 | C21 | H213 | 61.5° | 180.0° |
| C18 | C19 | C21 | H211 | 178.5° | 60.0° |
| C18 | C7 | N8 | N4 | 179.5° | 180.0° |
| C18 | C7 | N8 | N9 | 179.8° | 179.8° |
| C18 | C7 | N4 | C3 | 0.5° | 0.1° |
| C18 | C7 | N4 | C5 | 179.8° | 179.7° |
| C7 | C18 | H182 | H181 | 118.7° | 120.0° |
| C7 | C18 | C19 | H191 | 56.0° | 55.0° |
| C7 | N8 | N9 | C5 | 0.3° | 0.0° |
| N8 | C7 | N4 | C3 | 179.0° | 180.0° |
| N8 | C7 | N4 | C5 | 0.3° | 0.3° |
| N8 | C7 | C18 | H182 | 20.1° | 30.0° |
| N8 | C7 | C18 | H181 | 139.3° | 150.0° |
| N8 | N9 | C5 | C6 | 180.0° | 180.0° |
| N9 | N8 | C7 | N4 | 0.4° | 0.2° |
| N8 | N9 | C5 | N4 | 0.1° | 0.2° |
| N9 | C5 | C6 | N4 | 179.9° | 179.8° |
| N9 | C5 | C6 | C1 | 178.9° | 180.0° |
| N9 | C5 | N4 | C3 | 179.3° | 180.0° |
| N9 | C5 | N4 | C7 | 0.1° | 0.3° |
| N9 | C5 | C6 | H61 | 1.2° | 0.1° |
| C5 | C6 | C1 | H61 | 180.0° | 179.9° |
| C6 | C5 | N4 | C3 | 0.8° | 0.2° |
| C5 | C6 | C1 | C2 | 1.5° | 0.1° |
| C5 | C6 | C1 | C10 | 179.1° | 180.0° |
| C6 | C5 | N4 | C7 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 1.3° | 0.1° |
| C6 | C1 | C2 | C10 | 177.9° | 180.0° |
| C6 | C1 | C10 | N15 | 179.7° | 0.1° |
| C1 | C6 | C5 | N4 | 1.3° | 0.2° |
| C6 | C1 | C10 | C11 | 1.7° | 180.0° |
| C6 | C1 | C2 | H21 | 178.7° | 180.0° |
| C2 | C3 | N4 | H31 | 180.0° | 179.7° |
| C3 | C2 | C1 | H21 | 180.0° | 179.9° |
| C3 | C2 | C1 | C10 | 179.2° | 179.9° |
| C2 | C3 | N4 | C7 | 179.8° | 179.6° |
| C2 | C3 | N4 | C5 | 0.6° | 0.0° |
| N4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C3 | N4 | C7 | C5 | 179.3° | 179.7° |
| N4 | C3 | C2 | H21 | 179.2° | 180.0° |
| C2 | C1 | C10 | N15 | 1.9° | 180.0° |
| C2 | C1 | C10 | C11 | 176.0° | 0.0° |
| C2 | C1 | C6 | H61 | 178.5° | 180.0° |
| C1 | C2 | C3 | H31 | 179.2° | 179.8° |
| C1 | C10 | N15 | C11 | 177.9° | 179.9° |
| C1 | C10 | N15 | C14 | 178.0° | 180.0° |
| C1 | C10 | C11 | C12 | 177.9° | 180.0° |
| C1 | C10 | C11 | H111 | 2.1° | 0.1° |
| C10 | C1 | C6 | H61 | 0.9° | 0.1° |
| C10 | C1 | C2 | H21 | 0.8° | 0.0° |
| N15 | C10 | C11 | C12 | 0.1° | 0.1° |
| C10 | N15 | C14 | N13 | 0.2° | 0.0° |
| C10 | N15 | C14 | N16 | 179.6° | 179.7° |
| N15 | C10 | C11 | H111 | 179.9° | 180.0° |
| N15 | C14 | N13 | C12 | 0.4° | 0.0° |
| N15 | C14 | N13 | N16 | 179.4° | 179.7° |
| N15 | C14 | N16 | C17 | 14.6° | 180.0° |
| C14 | N15 | C10 | C11 | 0.1° | 0.0° |
| N15 | C14 | N16 | H161 | 165.4° | 0.1° |
| N13 | C12 | C11 | H121 | 180.0° | 179.9° |
| C12 | N13 | C14 | N16 | 179.8° | 179.7° |
| N13 | C12 | C11 | C10 | 0.2° | 0.1° |
| N13 | C12 | C11 | H111 | 179.8° | 180.0° |
| C11 | C12 | N13 | C14 | 0.4° | 0.1° |
| C12 | C11 | C10 | H111 | 180.0° | 179.9° |
| N13 | C14 | N16 | C17 | 166.0° | 0.3° |
| C14 | N13 | C12 | H121 | 179.6° | 180.0° |
| N13 | C14 | N16 | H161 | 14.0° | 179.8° |
| C14 | N16 | C17 | H161 | 180.0° | 179.9° |
| C14 | N16 | C17 | C26 | 25.9° | 0.3° |
| C14 | N16 | C17 | N23 | 152.8° | 179.9° |
| N16 | C17 | C26 | N23 | 178.8° | 179.8° |
| N16 | C17 | C26 | C25 | 179.7° | 180.0° |
| N16 | C17 | N23 | N24 | 179.7° | 180.0° |
| N16 | C17 | N23 | C27 | 0.1° | 0.1° |
| N16 | C17 | C26 | H261 | 0.3° | 0.1° |
| C17 | C26 | C25 | H261 | 180.0° | 179.9° |
| C17 | C26 | C25 | N24 | 0.8° | 0.1° |
| C26 | C17 | N23 | N24 | 0.7° | 0.2° |
| C26 | C17 | N23 | C27 | 179.1° | 179.7° |
| C17 | C26 | C25 | H251 | 179.2° | 180.0° |
| C26 | C17 | N16 | H161 | 154.1° | 179.8° |
| C26 | C25 | N24 | H251 | 180.0° | 179.8° |
| C26 | C25 | N24 | N23 | 0.3° | 0.0° |
| C25 | C26 | C17 | N23 | 0.9° | 0.2° |
| C25 | N24 | N23 | C27 | 179.6° | 179.8° |
| C25 | N24 | N23 | C17 | 0.2° | 0.1° |
| N24 | C25 | C26 | H261 | 179.2° | 179.8° |
| N24 | N23 | C27 | C17 | 179.8° | 179.9° |
| N23 | N24 | C25 | H251 | 179.7° | 179.8° |
| N24 | N23 | C27 | H273 | 0.0° | 89.9° |
| N24 | N23 | C27 | H272 | 120.0° | 30.0° |
| N24 | N23 | C27 | H271 | 120.0° | 150.1° |
| N23 | C27 | H273 | H272 | 120.0° | 120.0° |
| N23 | C27 | H273 | H271 | 120.0° | 120.0° |
| N23 | C27 | H272 | H271 | 120.0° | 120.0° |
| N4 | C7 | C18 | H182 | 160.5° | 150.0° |
| N4 | C7 | C18 | H181 | 41.3° | 30.0° |
| C7 | N4 | C3 | H31 | 0.2° | 0.0° |
| N4 | C5 | C6 | H61 | 178.7° | 179.9° |
| C5 | N4 | C3 | H31 | 179.4° | 179.7° |
| C10 | C11 | C12 | H121 | 179.8° | 180.0° |
| N23 | C17 | C26 | H261 | 179.1° | 179.7° |
| C17 | N23 | C27 | H273 | 179.7° | 90.0° |
| C17 | N23 | C27 | H272 | 59.8° | 150.1° |
| C17 | N23 | C27 | H271 | 60.3° | 30.0° |
| N23 | C17 | N16 | H161 | 27.2° | 0.0° |
| H182 | C18 | C19 | H191 | 176.4° | 175.0° |
| H181 | C18 | C19 | H191 | 64.4° | 65.0° |
| H121 | C12 | C11 | H111 | 0.2° | 0.1° |
| H221 | C22 | H223 | H222 | 120.0° | 120.0° |
| H221 | C22 | C20 | H202 | 59.6° | 60.0° |
| H221 | C22 | C20 | H201 | 59.6° | 60.0° |
| H223 | C22 | C20 | H202 | 60.4° | 60.0° |
| H223 | C22 | C20 | H201 | 179.6° | 180.0° |
| H222 | C22 | C20 | H202 | 179.6° | 180.0° |
| H222 | C22 | C20 | H201 | 60.4° | 60.0° |
| H191 | C19 | C20 | H202 | 65.0° | 65.0° |
| H191 | C19 | C20 | H201 | 175.8° | 175.0° |
| H191 | C19 | C21 | H212 | 61.0° | 180.0° |
| H191 | C19 | C21 | H213 | 179.0° | 59.9° |
| H191 | C19 | C21 | H211 | 59.0° | 60.0° |
| H212 | C21 | H213 | H211 | 120.0° | 119.9° |
| H21 | C2 | C3 | H31 | 0.8° | 0.3° |
| H251 | C25 | C26 | H261 | 0.8° | 0.1° |
| H273 | C27 | H272 | H271 | 120.0° | 120.0° |
