VOP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | N9 | sing | 1.35Å | 1.36Å | Aromatic |
| C12 | N13 | doub | 1.31Å | 1.33Å | Aromatic |
| N9 | N13 | sing | 1.40Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.40Å | 1.43Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C14 | sing | 1.46Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.41Å | 1.41Å | Aromatic |
| C14 | N15 | doub | 1.30Å | 1.31Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| O19 | C18 | doub | 1.21Å | 1.21Å | |
| C3 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C4 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | O21 | sing | 1.43Å | 1.43Å | |
| N15 | N16 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | N16 | sing | 1.37Å | 1.37Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| C18 | O20 | sing | 1.34Å | 1.31Å | |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| O21 | C22 | sing | 1.36Å | 1.38Å | |
| C23 | C22 | doub | 1.37Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.35Å | Aromatic |
| C22 | C31 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | C29 | sing | 1.42Å | 1.42Å | Aromatic |
| F33 | C26 | sing | 1.35Å | 1.36Å | |
| C26 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | N32 | sing | 1.39Å | 1.34Å | |
| C31 | N30 | doub | 1.32Å | 1.33Å | Aromatic |
| C29 | N30 | sing | 1.34Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | C28 | sing | 1.36Å | 1.37Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| O20 | H13 | sing | 0.97Å | 0.95Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C28 | H17 | sing | 1.08Å | 1.08Å | |
| N32 | H18 | sing | 0.97Å | 1.00Å | |
| N32 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C11 | C12 | 105.1° | 107.9° |
| C11 | C10 | N9 | 106.9° | 107.7° |
| C11 | C10 | H7 | 126.6° | 126.1° |
| C10 | C11 | H8 | 127.5° | 126.0° |
| C11 | C12 | N13 | 112.2° | 108.3° |
| C12 | C11 | H8 | 127.4° | 126.1° |
| C11 | C12 | H9 | 123.9° | 125.8° |
| C10 | N9 | N13 | 111.6° | 107.9° |
| C10 | N9 | C8 | 130.2° | 126.0° |
| N9 | C10 | H7 | 126.5° | 126.2° |
| C12 | N13 | N9 | 104.1° | 108.2° |
| N13 | C12 | H9 | 123.9° | 125.9° |
| N13 | N9 | C8 | 118.0° | 126.1° |
| N9 | C8 | C7 | 117.0° | 119.9° |
| N9 | C8 | C3 | 120.8° | 119.8° |
| C8 | C7 | C6 | 119.4° | 119.5° |
| C7 | C8 | C3 | 122.0° | 120.3° |
| C8 | C7 | H2 | 120.3° | 120.2° |
| C7 | C6 | C14 | 136.4° | 133.9° |
| C7 | C6 | C5 | 119.1° | 119.7° |
| C6 | C7 | H2 | 120.3° | 120.3° |
| C8 | C3 | C2 | 124.7° | 119.6° |
| C8 | C3 | C4 | 118.4° | 120.8° |
| C14 | C6 | C5 | 104.5° | 106.4° |
| C6 | C14 | N15 | 111.7° | 107.8° |
| C6 | C14 | H10 | 124.1° | 126.1° |
| C6 | C5 | C4 | 121.5° | 119.7° |
| C6 | C5 | N16 | 106.3° | 106.7° |
| C14 | N15 | N16 | 106.2° | 110.1° |
| N15 | C14 | H10 | 124.2° | 126.1° |
| C1 | C2 | C3 | 112.2° | 109.4° |
| C1 | C2 | O21 | 106.1° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H5 | 109.5° | 109.6° |
| C1 | C2 | H6 | 109.2° | 109.5° |
| O19 | C18 | O20 | 122.5° | 120.0° |
| O19 | C18 | C17 | 122.4° | 120.0° |
| C2 | C3 | C4 | 116.9° | 119.6° |
| C3 | C2 | O21 | 109.8° | 109.4° |
| C3 | C2 | H6 | 109.1° | 109.5° |
| C3 | C4 | C5 | 119.6° | 120.1° |
| C3 | C4 | H1 | 120.2° | 119.9° |
| C2 | O21 | C22 | 119.3° | 117.0° |
| O21 | C2 | H6 | 110.4° | 109.5° |
| N15 | N16 | C5 | 111.4° | 109.1° |
| N15 | N16 | C17 | 120.0° | 125.4° |
| C4 | C5 | N16 | 132.2° | 133.7° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C5 | N16 | C17 | 128.3° | 125.5° |
| N16 | C17 | C18 | 111.8° | 109.5° |
| N16 | C17 | H11 | 108.9° | 109.5° |
| N16 | C17 | H12 | 108.9° | 109.5° |
| O20 | C18 | C17 | 115.1° | 120.0° |
| C18 | O20 | H13 | 109.5° | 117.0° |
| C18 | C17 | H11 | 108.9° | 109.5° |
| C18 | C17 | H12 | 108.9° | 109.5° |
| O21 | C22 | C23 | 125.5° | 120.1° |
| O21 | C22 | C31 | 115.5° | 120.1° |
| C22 | C23 | C24 | 119.4° | 118.3° |
| C23 | C22 | C31 | 119.0° | 119.8° |
| C22 | C23 | H14 | 120.3° | 120.9° |
| C23 | C24 | C25 | 123.1° | 121.2° |
| C23 | C24 | C29 | 118.0° | 119.2° |
| C24 | C23 | H14 | 120.3° | 120.8° |
| C24 | C25 | C26 | 119.2° | 119.6° |
| C25 | C24 | C29 | 118.8° | 119.7° |
| C24 | C25 | H15 | 120.4° | 120.2° |
| C25 | C26 | F33 | 118.7° | 119.6° |
| C25 | C26 | C27 | 123.1° | 120.9° |
| C26 | C25 | H15 | 120.4° | 120.3° |
| C22 | C31 | N32 | 118.1° | 119.3° |
| C22 | C31 | N30 | 123.9° | 121.5° |
| C24 | C29 | N30 | 122.0° | 120.0° |
| C24 | C29 | C28 | 118.9° | 119.1° |
| F33 | C26 | C27 | 118.1° | 119.6° |
| C26 | C27 | C28 | 119.1° | 120.9° |
| C26 | C27 | H16 | 120.4° | 119.6° |
| N32 | C31 | N30 | 117.9° | 119.2° |
| C31 | N32 | H18 | 109.5° | 120.0° |
| C31 | N32 | H19 | 109.5° | 120.0° |
| C31 | N30 | C29 | 117.6° | 121.3° |
| N30 | C29 | C28 | 119.0° | 120.9° |
| C29 | C28 | C27 | 120.7° | 119.9° |
| C29 | C28 | H17 | 119.6° | 120.1° |
| C28 | C27 | H16 | 120.5° | 119.5° |
| C27 | C28 | H17 | 119.7° | 120.1° |
| H3 | C1 | H4 | 109.4° | 109.4° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.4° | 109.4° |
| H18 | N32 | H19 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C10 | N9 | H7 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 1.3° | 0.0° |
| C11 | C10 | N9 | N13 | 3.1° | 0.0° |
| C11 | C10 | N9 | C8 | 177.5° | 179.7° |
| C10 | C11 | C12 | H9 | 178.7° | 180.0° |
| C12 | C11 | C10 | N9 | 2.6° | 0.0° |
| C11 | C12 | N13 | H9 | 180.0° | 180.0° |
| C11 | C12 | N13 | N9 | 0.5° | 0.0° |
| C12 | C11 | C10 | H7 | 177.4° | 180.0° |
| C10 | N9 | N13 | C12 | 2.2° | 0.0° |
| C10 | N9 | N13 | C8 | 175.1° | 179.7° |
| C10 | N9 | C8 | C7 | 124.0° | 48.8° |
| C10 | N9 | C8 | C3 | 50.6° | 131.5° |
| N9 | C10 | C11 | H8 | 177.4° | 180.0° |
| C12 | N13 | N9 | C8 | 177.4° | 179.7° |
| N13 | C12 | C11 | H8 | 178.6° | 180.0° |
| N13 | N9 | C8 | C7 | 62.0° | 130.9° |
| N13 | N9 | C8 | C3 | 123.5° | 48.8° |
| N13 | N9 | C10 | H7 | 176.9° | 180.0° |
| N9 | N13 | C12 | H9 | 179.5° | 180.0° |
| N9 | C8 | C7 | C3 | 174.5° | 179.7° |
| N9 | C8 | C7 | C6 | 177.3° | 180.0° |
| N9 | C8 | C3 | C2 | 6.4° | 0.2° |
| N9 | C8 | C3 | C4 | 177.3° | 179.7° |
| N9 | C8 | C7 | H2 | 2.8° | 0.3° |
| C8 | N9 | C10 | H7 | 2.5° | 0.3° |
| C8 | C7 | C6 | H2 | 180.0° | 179.7° |
| C8 | C7 | C6 | C14 | 178.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.4° | 0.3° |
| C7 | C8 | C3 | C2 | 179.4° | 179.9° |
| C7 | C8 | C3 | C4 | 3.1° | 0.1° |
| C6 | C7 | C8 | C3 | 2.8° | 0.3° |
| C7 | C6 | C14 | C5 | 178.5° | 179.7° |
| C7 | C6 | C14 | N15 | 178.0° | 179.9° |
| C7 | C6 | C5 | C4 | 1.8° | 0.0° |
| C7 | C6 | C5 | N16 | 178.8° | 179.9° |
| C7 | C6 | C14 | H10 | 2.0° | 0.0° |
| C8 | C3 | C2 | C1 | 113.8° | 84.6° |
| C8 | C3 | C2 | C4 | 176.3° | 179.9° |
| C8 | C3 | C2 | O21 | 128.5° | 155.5° |
| C8 | C3 | C4 | C5 | 0.9° | 0.3° |
| C8 | C3 | C4 | H1 | 179.1° | 180.0° |
| C3 | C8 | C7 | H2 | 177.2° | 179.9° |
| C8 | C3 | C2 | H6 | 7.4° | 35.5° |
| C6 | C14 | N15 | H10 | 180.0° | 179.9° |
| C6 | C14 | N15 | N16 | 0.9° | 0.5° |
| C14 | C6 | C5 | C4 | 179.4° | 179.7° |
| C14 | C6 | C5 | N16 | 0.0° | 0.2° |
| C14 | C6 | C7 | H2 | 2.0° | 0.4° |
| C5 | C6 | C14 | N15 | 0.5° | 0.4° |
| C6 | C5 | C4 | C3 | 1.5° | 0.3° |
| C6 | C5 | N16 | N15 | 0.6° | 0.1° |
| C6 | C5 | C4 | N16 | 179.2° | 179.9° |
| C6 | C5 | N16 | C17 | 173.0° | 179.9° |
| C6 | C5 | C4 | H1 | 178.5° | 179.9° |
| C5 | C6 | C7 | H2 | 179.7° | 180.0° |
| C5 | C6 | C14 | H10 | 179.5° | 179.6° |
| C14 | N15 | N16 | C5 | 0.9° | 0.3° |
| C14 | N15 | N16 | C17 | 173.3° | 179.8° |
| C1 | C2 | C3 | O21 | 117.7° | 119.9° |
| C1 | C2 | C3 | H6 | 121.1° | 120.0° |
| C1 | C2 | C3 | C4 | 69.9° | 95.6° |
| C1 | C2 | O21 | H6 | 118.1° | 120.1° |
| C1 | C2 | O21 | C22 | 165.2° | 84.8° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | H3 | H5 | 120.0° | 120.1° |
| C2 | C1 | H4 | H5 | 120.0° | 120.1° |
| O19 | C18 | C17 | N16 | 1.6° | 0.0° |
| O19 | C18 | O20 | C17 | 178.7° | 180.0° |
| O19 | C18 | C17 | H11 | 122.0° | 120.0° |
| O19 | C18 | C17 | H12 | 118.8° | 120.0° |
| O19 | C18 | O20 | H13 | 0.0° | 0.0° |
| C3 | C2 | O21 | H6 | 120.4° | 120.0° |
| C2 | C3 | C4 | C5 | 177.5° | 179.8° |
| C3 | C2 | O21 | C22 | 73.3° | 155.3° |
| C2 | C3 | C4 | H1 | 2.5° | 0.1° |
| C3 | C2 | C1 | H3 | 180.0° | 60.0° |
| C3 | C2 | C1 | H4 | 60.0° | 180.0° |
| C3 | C2 | C1 | H5 | 60.0° | 60.0° |
| C4 | C3 | C2 | O21 | 47.8° | 24.4° |
| C3 | C4 | C5 | H1 | 180.0° | 179.6° |
| C3 | C4 | C5 | N16 | 179.3° | 179.8° |
| C4 | C3 | C2 | H6 | 168.9° | 144.4° |
| C2 | O21 | C22 | C23 | 6.2° | 4.8° |
| C2 | O21 | C22 | C31 | 174.3° | 175.1° |
| O21 | C2 | C1 | H3 | 60.0° | 180.0° |
| O21 | C2 | C1 | H4 | 59.9° | 60.1° |
| O21 | C2 | C1 | H5 | 180.0° | 59.9° |
| N15 | N16 | C5 | C4 | 179.8° | 180.0° |
| N15 | N16 | C5 | C17 | 173.6° | 179.9° |
| N15 | N16 | C17 | C18 | 82.2° | 90.1° |
| N16 | N15 | C14 | H10 | 179.2° | 179.6° |
| N15 | N16 | C17 | H11 | 157.5° | 149.9° |
| N15 | N16 | C17 | H12 | 38.2° | 29.9° |
| C4 | C5 | N16 | C17 | 6.2° | 0.1° |
| C5 | N16 | C17 | C18 | 91.0° | 90.0° |
| N16 | C5 | C4 | H1 | 0.6° | 0.1° |
| C5 | N16 | C17 | H11 | 29.4° | 29.9° |
| C5 | N16 | C17 | H12 | 148.7° | 149.9° |
| N16 | C17 | C18 | O20 | 177.1° | 180.0° |
| N16 | C17 | C18 | H11 | 120.4° | 120.0° |
| N16 | C17 | C18 | H12 | 120.4° | 120.1° |
| N16 | C17 | H11 | H12 | 118.9° | 120.0° |
| O20 | C18 | C17 | H11 | 56.7° | 60.0° |
| O20 | C18 | C17 | H12 | 62.5° | 59.9° |
| C18 | C17 | H11 | H12 | 118.9° | 120.0° |
| C17 | C18 | O20 | H13 | 178.6° | 180.0° |
| O21 | C22 | C23 | C31 | 179.5° | 179.9° |
| O21 | C22 | C23 | C24 | 178.1° | 180.0° |
| O21 | C22 | C31 | N32 | 3.5° | 0.1° |
| O21 | C22 | C31 | N30 | 178.4° | 180.0° |
| C22 | O21 | C2 | H6 | 47.1° | 35.3° |
| O21 | C22 | C23 | H14 | 1.9° | 0.1° |
| C22 | C23 | C24 | H14 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.4° | 180.0° |
| C22 | C23 | C24 | C29 | 0.6° | 0.0° |
| C23 | C22 | C31 | N32 | 176.9° | 180.0° |
| C23 | C22 | C31 | N30 | 1.1° | 0.0° |
| C23 | C24 | C25 | C29 | 178.8° | 180.0° |
| C23 | C24 | C25 | C26 | 179.7° | 180.0° |
| C24 | C23 | C22 | C31 | 1.4° | 0.0° |
| C23 | C24 | C29 | N30 | 0.6° | 0.0° |
| C23 | C24 | C29 | C28 | 178.4° | 180.0° |
| C23 | C24 | C25 | H15 | 0.3° | 0.0° |
| C24 | C25 | C26 | H15 | 180.0° | 180.0° |
| C24 | C25 | C26 | F33 | 176.7° | 179.7° |
| C24 | C25 | C26 | C27 | 2.4° | 0.0° |
| C25 | C24 | C29 | N30 | 178.3° | 180.0° |
| C25 | C24 | C29 | C28 | 0.5° | 0.0° |
| C25 | C24 | C23 | H14 | 0.6° | 0.0° |
| C26 | C25 | C24 | C29 | 0.9° | 0.0° |
| C25 | C26 | F33 | C27 | 179.1° | 179.7° |
| C25 | C26 | C27 | C28 | 2.3° | 0.0° |
| C25 | C26 | C27 | H16 | 177.7° | 180.0° |
| C22 | C31 | N32 | N30 | 178.2° | 180.0° |
| C22 | C31 | N30 | C29 | 0.0° | 0.0° |
| C31 | C22 | C23 | H14 | 178.6° | 180.0° |
| C22 | C31 | N32 | H18 | 178.2° | 0.1° |
| C22 | C31 | N32 | H19 | 58.2° | 180.0° |
| C24 | C29 | N30 | C31 | 0.9° | 0.0° |
| C24 | C29 | N30 | C28 | 177.8° | 180.0° |
| C24 | C29 | C28 | C27 | 0.5° | 0.0° |
| C29 | C24 | C23 | H14 | 179.4° | 180.0° |
| C29 | C24 | C25 | H15 | 179.1° | 180.0° |
| C24 | C29 | C28 | H17 | 179.5° | 180.0° |
| F33 | C26 | C27 | C28 | 176.7° | 179.7° |
| F33 | C26 | C25 | H15 | 3.3° | 0.3° |
| F33 | C26 | C27 | H16 | 3.3° | 0.3° |
| C26 | C27 | C28 | C29 | 0.8° | 0.0° |
| C26 | C27 | C28 | H16 | 180.0° | 180.0° |
| C27 | C26 | C25 | H15 | 177.6° | 180.0° |
| C26 | C27 | C28 | H17 | 179.2° | 180.0° |
| N32 | C31 | N30 | C29 | 178.1° | 180.0° |
| C31 | N32 | H18 | H19 | 120.0° | 179.9° |
| C31 | N30 | C29 | C28 | 178.7° | 180.0° |
| N30 | C31 | N32 | H18 | 0.0° | 179.9° |
| N30 | C31 | N32 | H19 | 120.0° | 0.0° |
| N30 | C29 | C28 | C27 | 178.4° | 180.0° |
| N30 | C29 | C28 | H17 | 1.6° | 0.0° |
| C29 | C28 | C27 | H17 | 180.0° | 180.0° |
| C29 | C28 | C27 | H16 | 179.2° | 180.0° |
| H3 | C1 | H4 | H5 | 120.0° | 119.9° |
| H3 | C1 | C2 | H6 | 58.9° | 60.0° |
| H4 | C1 | C2 | H6 | 178.9° | 60.0° |
| H5 | C1 | C2 | H6 | 61.1° | 180.0° |
| H7 | C10 | C11 | H8 | 2.6° | 0.0° |
| H8 | C11 | C12 | H9 | 1.4° | 0.0° |
| H16 | C27 | C28 | H17 | 0.8° | 0.0° |
