ZVJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C19 | sing | 1.36Å | 1.40Å | |
| O14 | C05 | sing | 1.43Å | 1.40Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| O12 | C11 | sing | 1.36Å | 1.40Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.40Å | |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.51Å | |
| C13 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | N03 | sing | 1.47Å | 1.46Å | |
| C02 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C02 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| N03 | H17 | sing | 1.01Å | 1.00Å | |
| O09 | H19 | sing | 0.97Å | 0.95Å | |
| O12 | H20 | sing | 0.97Å | 0.95Å | |
| O14 | H21 | sing | 0.97Å | 0.95Å | |
| O22 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C19 | C18 | 120.4° | 120.1° |
| O22 | C19 | C20 | 119.9° | 120.0° |
| C19 | O22 | H22 | 109.5° | 114.0° |
| O14 | C05 | C06 | 109.8° | 109.5° |
| O14 | C05 | C04 | 113.2° | 109.5° |
| O14 | C05 | H14 | 110.3° | 109.5° |
| C05 | O14 | H21 | 109.5° | 114.0° |
| C18 | C19 | C20 | 119.7° | 119.9° |
| C19 | C18 | C17 | 119.8° | 119.9° |
| C19 | C18 | H16 | 120.1° | 120.1° |
| C19 | C20 | C21 | 120.2° | 119.9° |
| C19 | C20 | H6 | 119.9° | 120.1° |
| O12 | C11 | C10 | 119.2° | 120.0° |
| O12 | C11 | C13 | 120.3° | 120.0° |
| C11 | O12 | H20 | 109.5° | 114.0° |
| C11 | C10 | C08 | 119.8° | 119.9° |
| C10 | C11 | C13 | 120.6° | 119.9° |
| C11 | C10 | H1 | 120.1° | 120.0° |
| C10 | C08 | O09 | 119.5° | 120.0° |
| C10 | C08 | C07 | 119.9° | 120.0° |
| C08 | C10 | H1 | 120.1° | 120.1° |
| C18 | C17 | C16 | 120.7° | 120.1° |
| C18 | C17 | H5 | 119.7° | 119.9° |
| C17 | C18 | H16 | 120.1° | 120.0° |
| C11 | C13 | C06 | 119.4° | 120.1° |
| C11 | C13 | H2 | 120.3° | 120.0° |
| O09 | C08 | C07 | 120.6° | 120.0° |
| C08 | O09 | H19 | 109.5° | 114.0° |
| C08 | C07 | C06 | 120.4° | 120.0° |
| C08 | C07 | H15 | 119.8° | 120.0° |
| C20 | C21 | C16 | 120.4° | 120.0° |
| C21 | C20 | H6 | 119.9° | 120.0° |
| C20 | C21 | H7 | 119.8° | 120.0° |
| C01 | C02 | N03 | 108.8° | 109.4° |
| C01 | C02 | C15 | 106.0° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C01 | C02 | H11 | 109.2° | 109.5° |
| C13 | C06 | C07 | 120.0° | 120.1° |
| C13 | C06 | C05 | 120.8° | 120.0° |
| C06 | C13 | H2 | 120.3° | 119.9° |
| C07 | C06 | C05 | 119.2° | 119.9° |
| C06 | C07 | H15 | 119.8° | 120.0° |
| C06 | C05 | C04 | 106.4° | 109.5° |
| C06 | C05 | H14 | 108.5° | 109.5° |
| C05 | C04 | N03 | 116.3° | 109.5° |
| C05 | C04 | H12 | 107.7° | 109.5° |
| C05 | C04 | H13 | 107.7° | 109.5° |
| C04 | C05 | H14 | 108.4° | 109.5° |
| C17 | C16 | C21 | 119.2° | 120.1° |
| C17 | C16 | C15 | 120.5° | 119.9° |
| C16 | C17 | H5 | 119.6° | 120.0° |
| C21 | C16 | C15 | 120.3° | 120.0° |
| C16 | C21 | H7 | 119.8° | 120.0° |
| N03 | C02 | C15 | 113.7° | 109.5° |
| C02 | N03 | C04 | 110.2° | 111.0° |
| N03 | C02 | H11 | 109.9° | 109.5° |
| C02 | N03 | H17 | 109.3° | 111.0° |
| C02 | C15 | C16 | 111.9° | 109.4° |
| C02 | C15 | H3 | 108.8° | 109.5° |
| C02 | C15 | H4 | 108.8° | 109.5° |
| C15 | C02 | H11 | 109.1° | 109.5° |
| C16 | C15 | H3 | 108.9° | 109.5° |
| C16 | C15 | H4 | 108.9° | 109.5° |
| N03 | C04 | H12 | 107.7° | 109.5° |
| N03 | C04 | H13 | 107.7° | 109.4° |
| C04 | N03 | H17 | 109.3° | 111.0° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.4° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C19 | C18 | C20 | 179.8° | 180.0° |
| O22 | C19 | C18 | C17 | 179.9° | 179.9° |
| O22 | C19 | C20 | C21 | 179.5° | 179.7° |
| O22 | C19 | C20 | H6 | 0.5° | 0.3° |
| O22 | C19 | C18 | H16 | 0.1° | 0.0° |
| O14 | C05 | C06 | C13 | 105.1° | 140.0° |
| O14 | C05 | C06 | C07 | 75.7° | 40.0° |
| O14 | C05 | C06 | C04 | 122.9° | 120.0° |
| O14 | C05 | C06 | H14 | 120.6° | 120.0° |
| O14 | C05 | C04 | H14 | 122.8° | 120.0° |
| O14 | C05 | C04 | N03 | 13.4° | 65.0° |
| O14 | C05 | C04 | H12 | 134.4° | 175.0° |
| O14 | C05 | C04 | H13 | 107.6° | 55.0° |
| C19 | C18 | C17 | H16 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.7° | 0.3° |
| C19 | C18 | C17 | C16 | 0.2° | 0.1° |
| C19 | C18 | C17 | H5 | 179.8° | 179.7° |
| C18 | C19 | C20 | H6 | 179.3° | 179.7° |
| C18 | C19 | O22 | H22 | 180.0° | 90.0° |
| C20 | C19 | C18 | C17 | 0.2° | 0.1° |
| C19 | C20 | C21 | H6 | 180.0° | 179.4° |
| C19 | C20 | C21 | C16 | 1.2° | 0.6° |
| C19 | C20 | C21 | H7 | 178.9° | 179.4° |
| C20 | C19 | C18 | H16 | 179.8° | 180.0° |
| C20 | C19 | O22 | H22 | 0.1° | 90.0° |
| O12 | C11 | C10 | C13 | 180.0° | 179.9° |
| O12 | C11 | C10 | C08 | 179.9° | 179.9° |
| O12 | C11 | C13 | C06 | 179.9° | 180.0° |
| O12 | C11 | C10 | H1 | 0.1° | 0.2° |
| O12 | C11 | C13 | H2 | 0.2° | 0.1° |
| C11 | C10 | C08 | H1 | 180.0° | 179.7° |
| C11 | C10 | C08 | O09 | 180.0° | 180.0° |
| C11 | C10 | C08 | C07 | 0.1° | 0.0° |
| C10 | C11 | C13 | C06 | 0.2° | 0.0° |
| C10 | C11 | C13 | H2 | 179.8° | 180.0° |
| C10 | C11 | O12 | H20 | 180.0° | 90.0° |
| C08 | C10 | C11 | C13 | 0.0° | 0.0° |
| C10 | C08 | O09 | C07 | 179.9° | 179.9° |
| C10 | C08 | C07 | C06 | 0.1° | 0.0° |
| C10 | C08 | C07 | H15 | 179.9° | 180.0° |
| C10 | C08 | O09 | H19 | 180.0° | 90.0° |
| C18 | C17 | C16 | H5 | 180.0° | 179.6° |
| C18 | C17 | C16 | C21 | 0.7° | 0.4° |
| C18 | C17 | C16 | C15 | 179.8° | 179.7° |
| C11 | C13 | C06 | H2 | 180.0° | 179.9° |
| C11 | C13 | C06 | C07 | 0.4° | 0.0° |
| C11 | C13 | C06 | C05 | 179.6° | 179.9° |
| C13 | C11 | C10 | H1 | 180.0° | 179.7° |
| C13 | C11 | O12 | H20 | 0.0° | 90.0° |
| O09 | C08 | C07 | C06 | 179.8° | 180.0° |
| O09 | C08 | C10 | H1 | 0.0° | 0.3° |
| O09 | C08 | C07 | H15 | 0.2° | 0.0° |
| C08 | C07 | C06 | C13 | 0.4° | 0.0° |
| C08 | C07 | C06 | H15 | 180.0° | 180.0° |
| C08 | C07 | C06 | C05 | 179.5° | 180.0° |
| C07 | C08 | C10 | H1 | 179.9° | 179.7° |
| C07 | C08 | O09 | H19 | 0.1° | 90.1° |
| C20 | C21 | C16 | C17 | 1.1° | 0.6° |
| C20 | C21 | C16 | H7 | 180.0° | 180.0° |
| C20 | C21 | C16 | C15 | 179.3° | 179.5° |
| C01 | C02 | N03 | C15 | 117.8° | 120.0° |
| C01 | C02 | N03 | H11 | 119.5° | 120.0° |
| C01 | C02 | C15 | H11 | 117.5° | 120.0° |
| C01 | C02 | C15 | C16 | 90.0° | 175.0° |
| C01 | C02 | N03 | C04 | 152.0° | 85.0° |
| C01 | C02 | C15 | H3 | 30.3° | 55.0° |
| C01 | C02 | C15 | H4 | 149.6° | 65.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | N03 | H17 | 87.9° | 151.0° |
| C13 | C06 | C07 | C05 | 179.2° | 180.0° |
| C13 | C06 | C05 | C04 | 132.0° | 100.0° |
| C13 | C06 | C05 | H14 | 15.5° | 20.0° |
| C13 | C06 | C07 | H15 | 179.7° | 180.0° |
| C07 | C06 | C05 | C04 | 47.1° | 80.0° |
| C07 | C06 | C13 | H2 | 179.6° | 180.0° |
| C07 | C06 | C05 | H14 | 163.6° | 160.0° |
| C06 | C05 | C04 | H14 | 116.6° | 120.0° |
| C06 | C05 | C04 | N03 | 134.0° | 175.0° |
| C05 | C06 | C13 | H2 | 0.4° | 0.0° |
| C06 | C05 | C04 | H12 | 105.0° | 55.0° |
| C06 | C05 | C04 | H13 | 13.0° | 65.0° |
| C05 | C06 | C07 | H15 | 0.5° | 0.0° |
| C06 | C05 | O14 | H21 | 180.0° | 60.0° |
| C05 | C04 | N03 | C02 | 83.4° | 180.0° |
| C05 | C04 | N03 | H12 | 121.0° | 120.0° |
| C05 | C04 | N03 | H13 | 121.0° | 120.0° |
| C05 | C04 | H12 | H13 | 116.9° | 120.1° |
| C05 | C04 | N03 | H17 | 156.5° | 56.0° |
| C04 | C05 | O14 | H21 | 61.3° | 60.0° |
| C17 | C16 | C21 | C15 | 179.6° | 179.9° |
| C17 | C16 | C15 | C02 | 64.3° | 90.0° |
| C17 | C16 | C15 | H3 | 175.3° | 29.9° |
| C17 | C16 | C15 | H4 | 56.0° | 150.0° |
| C17 | C16 | C21 | H7 | 178.9° | 179.4° |
| C16 | C17 | C18 | H16 | 179.8° | 180.0° |
| C21 | C16 | C15 | C02 | 115.2° | 90.0° |
| C21 | C16 | C15 | H3 | 5.1° | 150.0° |
| C21 | C16 | C15 | H4 | 124.4° | 29.9° |
| C21 | C16 | C17 | H5 | 179.3° | 180.0° |
| C16 | C21 | C20 | H6 | 178.8° | 180.0° |
| N03 | C02 | C15 | H11 | 123.1° | 120.0° |
| N03 | C02 | C15 | C16 | 150.6° | 65.0° |
| C02 | N03 | C04 | H17 | 120.1° | 123.9° |
| N03 | C02 | C15 | H3 | 89.1° | 175.0° |
| N03 | C02 | C15 | H4 | 30.2° | 55.0° |
| N03 | C02 | C01 | H8 | 180.0° | 60.0° |
| N03 | C02 | C01 | H9 | 60.0° | 180.0° |
| N03 | C02 | C01 | H10 | 60.0° | 60.0° |
| C02 | N03 | C04 | H12 | 155.6° | 60.0° |
| C02 | N03 | C04 | H13 | 37.6° | 60.0° |
| C02 | C15 | C16 | H3 | 120.4° | 120.0° |
| C02 | C15 | C16 | H4 | 120.3° | 120.0° |
| C15 | C02 | N03 | C04 | 90.2° | 155.0° |
| C02 | C15 | H3 | H4 | 118.8° | 120.0° |
| C15 | C02 | C01 | H8 | 57.4° | 60.0° |
| C15 | C02 | C01 | H9 | 177.4° | 60.0° |
| C15 | C02 | C01 | H10 | 62.6° | 180.0° |
| C15 | C02 | N03 | H17 | 29.9° | 31.1° |
| C16 | C15 | H3 | H4 | 118.9° | 120.0° |
| C15 | C16 | C17 | H5 | 0.2° | 0.1° |
| C15 | C16 | C21 | H7 | 0.7° | 0.5° |
| C16 | C15 | C02 | H11 | 27.4° | 55.0° |
| C04 | N03 | C02 | H11 | 32.4° | 35.0° |
| N03 | C04 | H12 | H13 | 116.9° | 119.9° |
| N03 | C04 | C05 | H14 | 109.4° | 55.0° |
| H3 | C15 | C02 | H11 | 147.8° | 65.0° |
| H4 | C15 | C02 | H11 | 92.9° | 175.0° |
| H5 | C17 | C18 | H16 | 0.2° | 0.4° |
| H6 | C20 | C21 | H7 | 1.1° | 0.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H8 | C01 | C02 | H11 | 60.0° | 180.0° |
| H9 | C01 | C02 | H11 | 60.0° | 60.0° |
| H10 | C01 | C02 | H11 | 180.0° | 60.0° |
| H11 | C02 | N03 | H17 | 152.6° | 89.0° |
| H12 | C04 | C05 | H14 | 11.6° | 65.0° |
| H12 | C04 | N03 | H17 | 35.5° | 64.0° |
| H13 | C04 | C05 | H14 | 129.6° | 175.0° |
| H13 | C04 | N03 | H17 | 82.5° | 176.0° |
| H14 | C05 | O14 | H21 | 60.4° | 180.0° |
