OVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.51Å | 1.56Å | |
| C04 | C05 | sing | 1.51Å | 1.47Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.39Å | Aromatic |
| C02 | O03 | doub | 1.21Å | 1.25Å | |
| C02 | O01 | sing | 1.34Å | 1.25Å | |
| C05 | C22 | sing | 1.47Å | 1.46Å | Aromatic |
| C05 | C06 | doub | 1.34Å | 1.37Å | Aromatic |
| C22 | C08 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | O07 | sing | 1.35Å | 1.40Å | Aromatic |
| C08 | O07 | sing | 1.35Å | 1.36Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.45Å | |
| N11 | C12 | sing | 1.40Å | 1.43Å | |
| C12 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O16 | sing | 1.36Å | 1.36Å | |
| O16 | C17 | sing | 1.43Å | 1.40Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| N11 | H14 | sing | 0.97Å | 1.00Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C04 | C05 | 114.8° | 109.5° |
| C04 | C02 | O03 | 116.8° | 120.0° |
| C04 | C02 | O01 | 116.7° | 120.0° |
| C02 | C04 | H4 | 108.1° | 109.5° |
| C02 | C04 | H5 | 108.1° | 109.5° |
| C04 | C05 | C22 | 131.4° | 126.9° |
| C04 | C05 | C06 | 124.1° | 126.9° |
| C05 | C04 | H4 | 108.1° | 109.4° |
| C05 | C04 | H5 | 108.1° | 109.4° |
| C22 | C21 | C20 | 120.1° | 119.8° |
| C21 | C22 | C05 | 137.6° | 134.2° |
| C21 | C22 | C08 | 116.1° | 120.3° |
| C22 | C21 | H3 | 120.0° | 120.1° |
| C21 | C20 | C10 | 122.8° | 120.3° |
| C21 | C20 | H2 | 118.6° | 119.8° |
| C20 | C21 | H3 | 119.9° | 120.1° |
| O03 | C02 | O01 | 126.5° | 120.0° |
| C02 | O01 | H15 | 109.5° | 117.0° |
| C22 | C05 | C06 | 104.5° | 106.2° |
| C05 | C22 | C08 | 106.3° | 105.5° |
| C05 | C06 | O07 | 113.1° | 110.2° |
| C05 | C06 | H6 | 123.5° | 124.9° |
| C22 | C08 | O07 | 110.2° | 107.3° |
| C22 | C08 | C09 | 125.1° | 119.3° |
| C20 | C10 | C09 | 117.7° | 120.5° |
| C20 | C10 | N11 | 120.9° | 119.8° |
| C10 | C20 | H2 | 118.6° | 119.9° |
| C06 | O07 | C08 | 105.9° | 110.9° |
| O07 | C06 | H6 | 123.5° | 124.9° |
| O07 | C08 | C09 | 124.7° | 133.4° |
| C08 | C09 | C10 | 118.2° | 119.8° |
| C08 | C09 | H7 | 120.9° | 120.1° |
| C09 | C10 | N11 | 121.4° | 119.7° |
| C10 | C09 | H7 | 120.9° | 120.1° |
| C10 | N11 | C12 | 130.9° | 120.0° |
| C10 | N11 | H14 | 114.5° | 120.0° |
| N11 | C12 | C19 | 120.2° | 120.0° |
| N11 | C12 | C13 | 123.8° | 120.0° |
| C12 | N11 | H14 | 114.6° | 120.0° |
| C19 | C12 | C13 | 116.0° | 120.0° |
| C12 | C19 | C18 | 122.6° | 120.0° |
| C12 | C19 | H13 | 118.7° | 120.0° |
| C12 | C13 | C14 | 122.1° | 120.0° |
| C12 | C13 | H1 | 119.0° | 120.1° |
| C19 | C18 | C15 | 119.5° | 120.0° |
| C19 | C18 | H12 | 120.2° | 120.0° |
| C18 | C19 | H13 | 118.7° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.0° |
| C14 | C13 | H1 | 119.0° | 120.0° |
| C13 | C14 | H8 | 119.9° | 120.0° |
| C18 | C15 | C14 | 119.7° | 120.0° |
| C18 | C15 | O16 | 119.7° | 120.0° |
| C15 | C18 | H12 | 120.3° | 120.0° |
| C14 | C15 | O16 | 120.6° | 120.0° |
| C15 | C14 | H8 | 119.9° | 120.0° |
| C15 | O16 | C17 | 111.8° | 117.0° |
| O16 | C17 | H9 | 109.5° | 109.5° |
| O16 | C17 | H10 | 109.5° | 109.4° |
| O16 | C17 | H11 | 109.5° | 109.5° |
| H4 | C04 | H5 | 109.5° | 109.5° |
| H9 | C17 | H10 | 109.4° | 109.5° |
| H9 | C17 | H11 | 109.4° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C04 | C05 | H4 | 120.8° | 120.0° |
| C02 | C04 | C05 | H5 | 120.8° | 120.0° |
| C04 | C02 | O03 | O01 | 179.7° | 180.0° |
| C02 | C04 | C05 | C22 | 93.1° | 85.0° |
| C02 | C04 | C05 | C06 | 86.0° | 95.0° |
| C02 | C04 | H4 | H5 | 117.5° | 120.1° |
| C04 | C02 | O01 | H15 | 179.7° | 180.0° |
| C04 | C05 | C22 | C21 | 0.4° | 0.1° |
| C05 | C04 | C02 | O03 | 111.4° | 0.0° |
| C05 | C04 | C02 | O01 | 68.4° | 180.0° |
| C04 | C05 | C22 | C06 | 179.3° | 180.0° |
| C04 | C05 | C22 | C08 | 179.6° | 180.0° |
| C04 | C05 | C06 | O07 | 179.5° | 180.0° |
| C05 | C04 | H4 | H5 | 117.6° | 119.9° |
| C04 | C05 | C06 | H6 | 0.5° | 0.0° |
| C22 | C21 | C20 | H3 | 180.0° | 180.0° |
| C21 | C22 | C05 | C08 | 180.0° | 180.0° |
| C21 | C22 | C05 | C06 | 179.7° | 180.0° |
| C22 | C21 | C20 | C10 | 0.6° | 0.0° |
| C21 | C22 | C08 | O07 | 179.7° | 180.0° |
| C21 | C22 | C08 | C09 | 0.7° | 0.0° |
| C22 | C21 | C20 | H2 | 179.4° | 179.7° |
| C20 | C21 | C22 | C05 | 179.6° | 180.0° |
| C20 | C21 | C22 | C08 | 0.4° | 0.0° |
| C21 | C20 | C10 | H2 | 180.0° | 179.8° |
| C21 | C20 | C10 | C09 | 1.0° | 0.0° |
| C21 | C20 | C10 | N11 | 179.8° | 179.8° |
| O03 | C02 | C04 | H4 | 127.9° | 120.0° |
| O03 | C02 | C04 | H5 | 9.4° | 120.0° |
| O03 | C02 | O01 | H15 | 0.0° | 0.0° |
| O01 | C02 | C04 | H4 | 52.4° | 60.0° |
| O01 | C02 | C04 | H5 | 170.8° | 60.0° |
| C22 | C05 | C06 | O07 | 0.2° | 0.0° |
| C05 | C22 | C08 | O07 | 0.3° | 0.0° |
| C05 | C22 | C08 | C09 | 179.3° | 180.0° |
| C05 | C22 | C21 | H3 | 0.4° | 0.0° |
| C22 | C05 | C04 | H4 | 27.6° | 35.0° |
| C22 | C05 | C04 | H5 | 146.1° | 155.0° |
| C22 | C05 | C06 | H6 | 179.8° | 180.0° |
| C06 | C05 | C22 | C08 | 0.3° | 0.0° |
| C05 | C06 | O07 | H6 | 180.0° | 180.0° |
| C05 | C06 | O07 | C08 | 0.0° | 0.0° |
| C06 | C05 | C04 | H4 | 153.2° | 145.0° |
| C06 | C05 | C04 | H5 | 34.7° | 25.1° |
| C22 | C08 | O07 | C06 | 0.2° | 0.0° |
| C22 | C08 | O07 | C09 | 179.6° | 180.0° |
| C22 | C08 | C09 | C10 | 1.1° | 0.0° |
| C08 | C22 | C21 | H3 | 179.6° | 180.0° |
| C22 | C08 | C09 | H7 | 178.9° | 180.0° |
| C20 | C10 | C09 | C08 | 1.1° | 0.0° |
| C20 | C10 | C09 | N11 | 178.9° | 179.7° |
| C20 | C10 | N11 | C12 | 153.0° | 32.4° |
| C10 | C20 | C21 | H3 | 179.4° | 180.0° |
| C20 | C10 | C09 | H7 | 178.8° | 180.0° |
| C20 | C10 | N11 | H14 | 27.0° | 147.6° |
| C06 | O07 | C08 | C09 | 179.4° | 180.0° |
| O07 | C08 | C09 | C10 | 179.4° | 180.0° |
| C08 | O07 | C06 | H6 | 180.0° | 180.0° |
| O07 | C08 | C09 | H7 | 0.6° | 0.0° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 180.0° | 179.7° |
| C09 | C10 | N11 | C12 | 28.1° | 147.9° |
| C09 | C10 | C20 | H2 | 179.0° | 179.8° |
| C09 | C10 | N11 | H14 | 151.9° | 32.1° |
| C10 | N11 | C12 | H14 | 180.0° | 180.0° |
| C10 | N11 | C12 | C19 | 176.4° | 154.7° |
| C10 | N11 | C12 | C13 | 3.7° | 25.6° |
| N11 | C10 | C20 | H2 | 0.1° | 0.0° |
| N11 | C10 | C09 | H7 | 0.1° | 0.2° |
| N11 | C12 | C19 | C13 | 179.9° | 179.7° |
| N11 | C12 | C19 | C18 | 179.8° | 179.7° |
| N11 | C12 | C13 | C14 | 179.9° | 179.7° |
| N11 | C12 | C13 | H1 | 0.0° | 0.3° |
| N11 | C12 | C19 | H13 | 0.2° | 0.2° |
| C12 | C19 | C18 | H13 | 180.0° | 179.8° |
| C19 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C19 | C18 | C15 | 0.0° | 0.1° |
| C19 | C12 | C13 | H1 | 179.9° | 179.9° |
| C12 | C19 | C18 | H12 | 180.0° | 180.0° |
| C19 | C12 | N11 | H14 | 3.6° | 25.2° |
| C13 | C12 | C19 | C18 | 0.1° | 0.1° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.6° | 0.0° |
| C12 | C13 | C14 | H8 | 179.4° | 179.9° |
| C13 | C12 | C19 | H13 | 179.9° | 179.9° |
| C13 | C12 | N11 | H14 | 176.3° | 154.5° |
| C19 | C18 | C15 | H12 | 180.0° | 179.9° |
| C19 | C18 | C15 | C14 | 0.4° | 0.1° |
| C19 | C18 | C15 | O16 | 179.4° | 179.9° |
| C13 | C14 | C15 | C18 | 0.7° | 0.0° |
| C13 | C14 | C15 | H8 | 180.0° | 179.9° |
| C13 | C14 | C15 | O16 | 179.6° | 180.0° |
| C18 | C15 | C14 | O16 | 179.0° | 180.0° |
| C18 | C15 | O16 | C17 | 106.2° | 0.0° |
| C18 | C15 | C14 | H8 | 179.3° | 180.0° |
| C15 | C18 | C19 | H13 | 180.0° | 179.9° |
| C14 | C15 | O16 | C17 | 72.8° | 180.0° |
| C15 | C14 | C13 | H1 | 179.5° | 180.0° |
| C14 | C15 | C18 | H12 | 179.6° | 180.0° |
| O16 | C15 | C14 | H8 | 0.4° | 0.0° |
| C15 | O16 | C17 | H9 | 180.0° | 180.0° |
| C15 | O16 | C17 | H10 | 60.0° | 60.0° |
| C15 | O16 | C17 | H11 | 60.0° | 60.0° |
| O16 | C15 | C18 | H12 | 0.6° | 0.0° |
| O16 | C17 | H9 | H10 | 120.0° | 119.9° |
| O16 | C17 | H9 | H11 | 120.0° | 120.0° |
| O16 | C17 | H10 | H11 | 120.0° | 120.0° |
| H1 | C13 | C14 | H8 | 0.5° | 0.0° |
| H2 | C20 | C21 | H3 | 0.6° | 0.2° |
| H9 | C17 | H10 | H11 | 119.9° | 120.1° |
| H12 | C18 | C19 | H13 | 0.0° | 0.2° |
