WZV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F30 | C28 | sing | 1.40Å | 1.32Å | |
| C28 | F31 | sing | 1.40Å | 1.32Å | |
| C28 | F29 | sing | 1.40Å | 1.33Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C27 | O26 | sing | 1.43Å | 1.43Å | |
| O26 | C18 | sing | 1.36Å | 1.38Å | |
| C18 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | N22 | doub | 1.31Å | 1.34Å | Aromatic |
| N22 | C21 | sing | 1.33Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C24 | sing | 1.48Å | 1.50Å | |
| C24 | O25 | doub | 1.22Å | 1.22Å | |
| C24 | N13 | sing | 1.35Å | 1.34Å | |
| N13 | C7 | sing | 1.40Å | 1.41Å | |
| C7 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C14 | sing | 1.53Å | 1.52Å | |
| C1 | N6 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | O16 | doub | 1.21Å | 1.22Å | |
| C3 | N4 | sing | 1.35Å | 1.35Å | |
| N6 | C5 | doub | 1.30Å | 1.26Å | |
| C5 | N15 | sing | 1.37Å | 1.25Å | |
| C5 | N4 | sing | 1.38Å | 1.34Å | |
| N4 | C17 | sing | 1.46Å | 1.47Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N15 | H152 | sing | 0.97Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F30 | C28 | F31 | 109.9° | 109.5° |
| F30 | C28 | F29 | 110.7° | 109.4° |
| F30 | C28 | C27 | 107.3° | 109.5° |
| F31 | C28 | F29 | 108.0° | 109.5° |
| F31 | C28 | C27 | 109.7° | 109.5° |
| F29 | C28 | C27 | 111.2° | 109.5° |
| C28 | C27 | O26 | 109.0° | 109.5° |
| C28 | C27 | H271 | 109.6° | 109.5° |
| C28 | C27 | H272 | 109.6° | 109.5° |
| C27 | O26 | C18 | 123.2° | 117.0° |
| O26 | C27 | H271 | 109.6° | 109.5° |
| O26 | C27 | H272 | 109.6° | 109.5° |
| O26 | C18 | C23 | 118.8° | 120.4° |
| O26 | C18 | C19 | 121.5° | 120.4° |
| C23 | C18 | C19 | 119.7° | 119.2° |
| C18 | C23 | N22 | 119.5° | 120.9° |
| C18 | C23 | H23 | 120.2° | 119.6° |
| C18 | C19 | C20 | 119.7° | 118.4° |
| C18 | C19 | H19 | 120.2° | 120.8° |
| C23 | N22 | C21 | 121.9° | 121.7° |
| N22 | C23 | H23 | 120.2° | 119.6° |
| N22 | C21 | C20 | 120.8° | 120.7° |
| N22 | C21 | C24 | 120.0° | 119.7° |
| C19 | C20 | C21 | 118.4° | 119.1° |
| C20 | C19 | H19 | 120.2° | 120.7° |
| C19 | C20 | H20 | 120.8° | 120.5° |
| C20 | C21 | C24 | 119.2° | 119.6° |
| C21 | C20 | H20 | 120.8° | 120.4° |
| C21 | C24 | O25 | 116.9° | 120.0° |
| C21 | C24 | N13 | 119.0° | 120.0° |
| O25 | C24 | N13 | 124.0° | 120.0° |
| C24 | N13 | C7 | 128.0° | 120.0° |
| C24 | N13 | H13 | 116.0° | 119.9° |
| N13 | C7 | C12 | 117.4° | 120.1° |
| N13 | C7 | C8 | 124.1° | 120.0° |
| C7 | N13 | H13 | 116.0° | 120.0° |
| C12 | C7 | C8 | 118.4° | 119.8° |
| C7 | C12 | C11 | 121.6° | 120.0° |
| C7 | C12 | H12 | 119.2° | 120.0° |
| C7 | C8 | C9 | 120.9° | 119.9° |
| C7 | C8 | H8 | 119.5° | 120.0° |
| C12 | C11 | C10 | 119.0° | 120.1° |
| C12 | C11 | C1 | 120.5° | 120.0° |
| C11 | C12 | H12 | 119.2° | 120.0° |
| C8 | C9 | C10 | 119.7° | 120.0° |
| C9 | C8 | H8 | 119.5° | 120.0° |
| C8 | C9 | H9 | 120.2° | 119.9° |
| C9 | C10 | C11 | 120.3° | 120.2° |
| C10 | C9 | H9 | 120.1° | 120.0° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C10 | C11 | C1 | 120.5° | 120.0° |
| C11 | C10 | H10 | 119.9° | 119.9° |
| C11 | C1 | C2 | 106.7° | 109.4° |
| C11 | C1 | C14 | 108.6° | 109.4° |
| C11 | C1 | N6 | 112.4° | 109.4° |
| C2 | C1 | C14 | 111.6° | 109.4° |
| C2 | C1 | N6 | 108.0° | 109.8° |
| C1 | C2 | C3 | 109.9° | 109.0° |
| C1 | C2 | H21C | 109.4° | 109.5° |
| C1 | C2 | H22C | 109.4° | 109.5° |
| C14 | C1 | N6 | 109.4° | 109.4° |
| C1 | C14 | H141 | 109.5° | 109.5° |
| C1 | C14 | H142 | 109.5° | 109.4° |
| C1 | C14 | H143 | 109.5° | 109.5° |
| C1 | N6 | C5 | 123.0° | 121.4° |
| C2 | C3 | O16 | 118.2° | 120.3° |
| C2 | C3 | N4 | 120.3° | 119.3° |
| C3 | C2 | H21C | 109.4° | 109.5° |
| C3 | C2 | H22C | 109.4° | 109.6° |
| O16 | C3 | N4 | 121.5° | 120.4° |
| C3 | N4 | C5 | 118.6° | 120.1° |
| C3 | N4 | C17 | 119.8° | 119.9° |
| N6 | C5 | N15 | 117.6° | 119.3° |
| N6 | C5 | N4 | 123.3° | 121.4° |
| N15 | C5 | N4 | 119.1° | 119.3° |
| C5 | N15 | H151 | 120.0° | 120.0° |
| C5 | N15 | H152 | 120.0° | 120.0° |
| C5 | N4 | C17 | 121.6° | 120.0° |
| N4 | C17 | H171 | 109.5° | 109.5° |
| N4 | C17 | H172 | 109.5° | 109.4° |
| N4 | C17 | H173 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.4° |
| H21C | C2 | H22C | 109.4° | 109.6° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| H151 | N15 | H152 | 120.0° | 120.0° |
| H171 | C17 | H172 | 109.4° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F30 | C28 | F31 | F29 | 120.9° | 120.0° |
| F30 | C28 | F31 | C27 | 117.7° | 120.0° |
| F30 | C28 | F29 | C27 | 119.2° | 120.0° |
| F30 | C28 | C27 | O26 | 91.7° | 60.0° |
| F30 | C28 | C27 | H271 | 28.2° | 180.0° |
| F30 | C28 | C27 | H272 | 148.3° | 60.0° |
| F31 | C28 | F29 | C27 | 120.4° | 120.0° |
| F31 | C28 | C27 | O26 | 27.6° | 60.0° |
| F31 | C28 | C27 | H271 | 147.6° | 60.0° |
| F31 | C28 | C27 | H272 | 92.3° | 179.9° |
| F29 | C28 | C27 | O26 | 147.0° | 180.0° |
| F29 | C28 | C27 | H271 | 93.0° | 60.0° |
| F29 | C28 | C27 | H272 | 27.1° | 59.9° |
| C28 | C27 | O26 | H271 | 120.0° | 120.0° |
| C28 | C27 | O26 | H272 | 119.9° | 120.0° |
| C28 | C27 | O26 | C18 | 179.7° | 180.0° |
| C28 | C27 | H271 | H272 | 120.2° | 120.0° |
| C27 | O26 | C18 | C23 | 159.9° | 0.0° |
| C27 | O26 | C18 | C19 | 20.3° | 179.7° |
| O26 | C27 | H271 | H272 | 120.2° | 120.0° |
| O26 | C18 | C23 | C19 | 179.8° | 179.7° |
| O26 | C18 | C23 | N22 | 179.8° | 180.0° |
| O26 | C18 | C19 | C20 | 179.8° | 180.0° |
| C18 | O26 | C27 | H271 | 60.3° | 60.0° |
| C18 | O26 | C27 | H272 | 59.8° | 59.9° |
| O26 | C18 | C23 | H23 | 0.2° | 0.0° |
| O26 | C18 | C19 | H19 | 0.2° | 0.0° |
| C18 | C23 | N22 | H23 | 180.0° | 180.0° |
| C18 | C23 | N22 | C21 | 0.1° | 0.0° |
| C23 | C18 | C19 | C20 | 0.0° | 0.3° |
| C23 | C18 | C19 | H19 | 180.0° | 179.7° |
| C19 | C18 | C23 | N22 | 0.0° | 0.3° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C23 | H23 | 179.9° | 179.7° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C23 | N22 | C21 | C20 | 0.2° | 0.2° |
| C23 | N22 | C21 | C24 | 179.4° | 180.0° |
| N22 | C21 | C20 | C19 | 0.2° | 0.2° |
| N22 | C21 | C20 | C24 | 179.2° | 179.8° |
| N22 | C21 | C24 | O25 | 153.5° | 180.0° |
| N22 | C21 | C24 | N13 | 25.7° | 0.1° |
| C21 | N22 | C23 | H23 | 179.9° | 180.0° |
| N22 | C21 | C20 | H20 | 179.8° | 179.7° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C24 | 179.4° | 180.0° |
| C20 | C21 | C24 | O25 | 25.7° | 0.2° |
| C20 | C21 | C24 | N13 | 155.1° | 179.7° |
| C21 | C20 | C19 | H19 | 179.9° | 180.0° |
| C21 | C24 | O25 | N13 | 179.1° | 179.9° |
| C21 | C24 | N13 | C7 | 178.5° | 174.7° |
| C24 | C21 | C20 | H20 | 0.6° | 0.1° |
| C21 | C24 | N13 | H13 | 1.5° | 5.3° |
| O25 | C24 | N13 | C7 | 0.7° | 5.2° |
| O25 | C24 | N13 | H13 | 179.3° | 174.8° |
| C24 | N13 | C7 | H13 | 180.0° | 179.9° |
| C24 | N13 | C7 | C12 | 165.8° | 146.8° |
| C24 | N13 | C7 | C8 | 12.6° | 33.6° |
| N13 | C7 | C12 | C8 | 178.5° | 179.7° |
| N13 | C7 | C12 | C11 | 179.1° | 180.0° |
| N13 | C7 | C8 | C9 | 179.6° | 180.0° |
| N13 | C7 | C12 | H12 | 0.9° | 0.0° |
| N13 | C7 | C8 | H8 | 0.4° | 0.1° |
| C7 | C12 | C11 | H12 | 180.0° | 180.0° |
| C12 | C7 | C8 | C9 | 1.2° | 0.3° |
| C7 | C12 | C11 | C10 | 0.4° | 0.0° |
| C7 | C12 | C11 | C1 | 178.5° | 180.0° |
| C12 | C7 | N13 | H13 | 14.2° | 33.2° |
| C12 | C7 | C8 | H8 | 178.8° | 179.8° |
| C8 | C7 | C12 | C11 | 0.6° | 0.3° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.8° | 0.1° |
| C8 | C7 | N13 | H13 | 167.4° | 146.5° |
| C8 | C7 | C12 | H12 | 179.4° | 179.7° |
| C7 | C8 | C9 | H9 | 179.2° | 180.0° |
| C12 | C11 | C10 | C9 | 0.8° | 0.3° |
| C12 | C11 | C10 | C1 | 178.1° | 180.0° |
| C12 | C11 | C1 | C2 | 112.0° | 150.1° |
| C12 | C11 | C1 | C14 | 127.5° | 90.1° |
| C12 | C11 | C1 | N6 | 6.2° | 29.7° |
| C12 | C11 | C10 | H10 | 179.2° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.2° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C1 | 178.9° | 179.7° |
| C10 | C9 | C8 | H8 | 179.2° | 180.0° |
| C10 | C11 | C1 | C2 | 66.0° | 29.9° |
| C10 | C11 | C1 | C14 | 54.4° | 89.9° |
| C10 | C11 | C1 | N6 | 175.7° | 150.3° |
| C10 | C11 | C12 | H12 | 179.6° | 180.0° |
| C11 | C10 | C9 | H9 | 179.7° | 179.7° |
| C11 | C1 | C2 | C14 | 118.5° | 119.8° |
| C11 | C1 | C2 | N6 | 121.1° | 120.1° |
| C11 | C1 | C14 | N6 | 123.1° | 119.8° |
| C11 | C1 | C2 | C3 | 76.5° | 167.6° |
| C11 | C1 | N6 | C5 | 81.1° | 154.6° |
| C1 | C11 | C12 | H12 | 1.5° | 0.0° |
| C1 | C11 | C10 | H10 | 1.1° | 0.0° |
| C11 | C1 | C2 | H21C | 43.6° | 47.8° |
| C11 | C1 | C2 | H22C | 163.5° | 72.5° |
| C11 | C1 | C14 | H141 | 180.0° | 60.0° |
| C11 | C1 | C14 | H142 | 60.0° | 180.0° |
| C11 | C1 | C14 | H143 | 60.0° | 60.0° |
| C2 | C1 | C14 | N6 | 119.5° | 120.3° |
| C1 | C2 | C3 | H21C | 120.1° | 119.8° |
| C1 | C2 | C3 | H22C | 120.1° | 119.9° |
| C1 | C2 | C3 | O16 | 148.7° | 147.3° |
| C1 | C2 | C3 | N4 | 31.8° | 32.7° |
| C2 | C1 | N6 | C5 | 36.4° | 34.5° |
| C1 | C2 | H21C | H22C | 119.8° | 120.2° |
| C2 | C1 | C14 | H141 | 62.6° | 179.9° |
| C2 | C1 | C14 | H142 | 57.4° | 60.2° |
| C2 | C1 | C14 | H143 | 177.4° | 59.9° |
| C14 | C1 | C2 | C3 | 165.0° | 72.6° |
| C14 | C1 | N6 | C5 | 158.1° | 85.5° |
| C14 | C1 | C2 | H21C | 74.9° | 167.6° |
| C14 | C1 | C2 | H22C | 44.9° | 47.3° |
| C1 | C14 | H141 | H142 | 120.0° | 119.9° |
| C1 | C14 | H141 | H143 | 120.0° | 120.0° |
| C1 | C14 | H142 | H143 | 120.0° | 120.0° |
| N6 | C1 | C2 | C3 | 44.7° | 47.4° |
| C1 | N6 | C5 | N15 | 171.7° | 179.8° |
| C1 | N6 | C5 | N4 | 7.2° | 0.2° |
| N6 | C1 | C2 | H21C | 164.7° | 72.4° |
| N6 | C1 | C2 | H22C | 75.4° | 167.4° |
| N6 | C1 | C14 | H141 | 56.9° | 59.8° |
| N6 | C1 | C14 | H142 | 176.9° | 60.1° |
| N6 | C1 | C14 | H143 | 63.1° | 179.8° |
| C2 | C3 | O16 | N4 | 179.5° | 180.0° |
| C2 | C3 | N4 | C5 | 2.7° | 0.5° |
| C2 | C3 | N4 | C17 | 176.7° | 179.4° |
| C3 | C2 | H21C | H22C | 119.8° | 120.3° |
| O16 | C3 | N4 | C5 | 177.9° | 179.5° |
| O16 | C3 | N4 | C17 | 2.7° | 0.6° |
| O16 | C3 | C2 | H21C | 28.7° | 92.9° |
| O16 | C3 | C2 | H22C | 91.2° | 27.4° |
| C3 | N4 | C5 | N6 | 11.9° | 19.4° |
| C3 | N4 | C5 | N15 | 169.2° | 160.6° |
| C3 | N4 | C5 | C17 | 179.4° | 180.0° |
| N4 | C3 | C2 | H21C | 151.9° | 87.1° |
| N4 | C3 | C2 | H22C | 88.3° | 152.6° |
| C3 | N4 | C17 | H171 | 180.0° | 90.0° |
| C3 | N4 | C17 | H172 | 60.0° | 150.0° |
| C3 | N4 | C17 | H173 | 60.0° | 30.0° |
| N6 | C5 | N15 | N4 | 179.0° | 180.0° |
| N6 | C5 | N4 | C17 | 168.7° | 160.6° |
| N6 | C5 | N15 | H151 | 0.0° | 0.0° |
| N6 | C5 | N15 | H152 | 180.0° | 180.0° |
| N15 | C5 | N4 | C17 | 10.2° | 19.4° |
| C5 | N15 | H151 | H152 | 180.0° | 180.0° |
| N4 | C5 | N15 | H151 | 178.9° | 180.0° |
| N4 | C5 | N15 | H152 | 1.0° | 0.0° |
| C5 | N4 | C17 | H171 | 0.6° | 90.0° |
| C5 | N4 | C17 | H172 | 120.6° | 30.0° |
| C5 | N4 | C17 | H173 | 119.4° | 150.0° |
| N4 | C17 | H171 | H172 | 120.0° | 120.0° |
| N4 | C17 | H171 | H173 | 120.0° | 120.1° |
| N4 | C17 | H172 | H173 | 120.0° | 120.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.0° |
| H8 | C8 | C9 | H9 | 0.8° | 0.1° |
| H9 | C9 | C10 | H10 | 0.3° | 0.1° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
