OJ0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C20 | C16 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | doub | 1.38Å | 1.36Å | Aromatic |
| C18 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C16 | C13 | sing | 1.39Å | 1.34Å | Aromatic |
| C21 | C17 | doub | 1.38Å | 1.36Å | Aromatic |
| C11 | C09 | sing | 1.53Å | 1.52Å | |
| C13 | N03 | sing | 1.40Å | 1.41Å | |
| C13 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| N03 | C10 | sing | 1.35Å | 1.40Å | |
| C09 | N02 | sing | 1.47Å | 1.30Å | |
| C17 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C19 | sing | 1.51Å | 1.51Å | |
| C10 | C04 | sing | 1.51Å | 1.54Å | |
| C10 | O01 | doub | 1.21Å | 1.15Å | |
| N02 | C04 | sing | 1.47Å | 1.34Å | |
| N02 | C06 | sing | 1.47Å | 1.29Å | |
| C04 | C05 | sing | 1.53Å | 1.59Å | |
| C06 | C08 | sing | 1.53Å | 1.50Å | |
| C05 | C07 | sing | 1.53Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| N03 | H7 | sing | 0.97Å | 1.00Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C05 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.09Å | 1.10Å | |
| C06 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C07 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | C11 | 111.9° | 109.5° |
| C14 | C12 | H21 | 108.8° | 109.5° |
| C14 | C12 | H22 | 108.9° | 109.5° |
| C12 | C14 | H23 | 109.5° | 109.5° |
| C12 | C14 | H24 | 109.5° | 109.4° |
| C12 | C14 | H25 | 109.5° | 109.5° |
| C20 | C16 | C18 | 123.8° | 120.0° |
| C20 | C16 | C13 | 118.3° | 120.0° |
| C16 | C20 | H2 | 109.5° | 109.5° |
| C16 | C20 | H3 | 109.5° | 109.5° |
| C16 | C20 | H4 | 109.5° | 109.5° |
| C12 | C11 | C09 | 108.8° | 109.4° |
| C12 | C11 | H19 | 109.7° | 109.5° |
| C12 | C11 | H20 | 109.6° | 109.5° |
| C11 | C12 | H21 | 108.8° | 109.5° |
| C11 | C12 | H22 | 108.9° | 109.5° |
| C16 | C18 | C21 | 121.1° | 120.0° |
| C18 | C16 | C13 | 117.9° | 119.9° |
| C16 | C18 | H26 | 119.5° | 120.0° |
| C18 | C21 | C17 | 120.3° | 120.2° |
| C18 | C21 | H5 | 119.8° | 119.9° |
| C21 | C18 | H26 | 119.5° | 120.0° |
| C16 | C13 | N03 | 116.4° | 120.1° |
| C16 | C13 | C15 | 122.2° | 119.8° |
| C21 | C17 | C15 | 118.4° | 120.1° |
| C21 | C17 | H1 | 120.8° | 120.0° |
| C17 | C21 | H5 | 119.9° | 119.9° |
| C11 | C09 | N02 | 116.8° | 109.4° |
| C11 | C09 | H17 | 107.6° | 109.5° |
| C11 | C09 | H18 | 107.6° | 109.5° |
| C09 | C11 | H19 | 109.6° | 109.5° |
| C09 | C11 | H20 | 109.6° | 109.5° |
| N03 | C13 | C15 | 121.4° | 120.1° |
| C13 | N03 | C10 | 120.9° | 120.0° |
| C13 | N03 | H7 | 119.6° | 120.0° |
| C13 | C15 | C17 | 120.2° | 120.0° |
| C13 | C15 | C19 | 120.2° | 120.0° |
| N03 | C10 | C04 | 118.8° | 120.0° |
| N03 | C10 | O01 | 119.3° | 120.0° |
| C10 | N03 | H7 | 119.6° | 120.0° |
| C09 | N02 | C04 | 117.2° | 111.0° |
| C09 | N02 | C06 | 116.3° | 111.0° |
| N02 | C09 | H17 | 107.6° | 109.4° |
| N02 | C09 | H18 | 107.6° | 109.5° |
| C17 | C15 | C19 | 119.7° | 120.0° |
| C15 | C17 | H1 | 120.8° | 120.0° |
| C15 | C19 | H27 | 109.5° | 109.5° |
| C15 | C19 | H28 | 109.5° | 109.5° |
| C15 | C19 | H29 | 109.5° | 109.5° |
| C04 | C10 | O01 | 121.8° | 120.0° |
| C10 | C04 | N02 | 108.9° | 109.5° |
| C10 | C04 | C05 | 108.0° | 109.5° |
| C10 | C04 | H8 | 107.8° | 109.5° |
| C04 | N02 | C06 | 114.9° | 111.2° |
| N02 | C04 | C05 | 114.1° | 109.5° |
| N02 | C04 | H8 | 110.6° | 109.4° |
| N02 | C06 | C08 | 112.7° | 109.6° |
| N02 | C06 | H11 | 108.7° | 109.5° |
| N02 | C06 | H12 | 108.7° | 109.4° |
| C04 | C05 | C07 | 110.6° | 109.3° |
| C05 | C04 | H8 | 107.3° | 109.4° |
| C04 | C05 | H9 | 109.2° | 109.5° |
| C04 | C05 | H10 | 109.2° | 109.6° |
| C06 | C08 | C07 | 110.9° | 109.3° |
| C08 | C06 | H11 | 108.6° | 109.5° |
| C08 | C06 | H12 | 108.6° | 109.4° |
| C06 | C08 | H15 | 109.1° | 109.5° |
| C06 | C08 | H16 | 109.1° | 109.6° |
| C05 | C07 | C08 | 109.3° | 109.2° |
| C07 | C05 | H9 | 109.2° | 109.5° |
| C07 | C05 | H10 | 109.2° | 109.5° |
| C05 | C07 | H13 | 109.5° | 109.6° |
| C05 | C07 | H14 | 109.5° | 109.6° |
| C08 | C07 | H13 | 109.5° | 109.5° |
| C08 | C07 | H14 | 109.5° | 109.5° |
| C07 | C08 | H15 | 109.1° | 109.5° |
| C07 | C08 | H16 | 109.1° | 109.5° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H2 | C20 | H4 | 109.4° | 109.5° |
| H3 | C20 | H4 | 109.5° | 109.4° |
| H9 | C05 | H10 | 109.5° | 109.5° |
| H11 | C06 | H12 | 109.5° | 109.4° |
| H13 | C07 | H14 | 109.4° | 109.5° |
| H15 | C08 | H16 | 109.5° | 109.5° |
| H17 | C09 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.5° |
| H23 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.4° |
| H27 | C19 | H28 | 109.5° | 109.4° |
| H27 | C19 | H29 | 109.4° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | C11 | H21 | 120.3° | 120.0° |
| C14 | C12 | C11 | H22 | 120.4° | 120.0° |
| C14 | C12 | C11 | C09 | 109.5° | 179.9° |
| C14 | C12 | C11 | H19 | 130.7° | 60.0° |
| C14 | C12 | C11 | H20 | 10.4° | 60.1° |
| C14 | C12 | H21 | H22 | 118.9° | 120.0° |
| C12 | C14 | H23 | H24 | 120.0° | 120.0° |
| C12 | C14 | H23 | H25 | 120.0° | 120.1° |
| C12 | C14 | H24 | H25 | 120.0° | 120.0° |
| C20 | C16 | C18 | C13 | 179.3° | 179.8° |
| C20 | C16 | C18 | C21 | 179.3° | 179.7° |
| C20 | C16 | C13 | N03 | 0.3° | 0.0° |
| C20 | C16 | C13 | C15 | 179.4° | 179.8° |
| C16 | C20 | H2 | H3 | 120.0° | 120.0° |
| C16 | C20 | H2 | H4 | 120.0° | 120.1° |
| C16 | C20 | H3 | H4 | 120.0° | 120.0° |
| C20 | C16 | C18 | H26 | 0.7° | 0.0° |
| C12 | C11 | C09 | H19 | 119.9° | 120.0° |
| C12 | C11 | C09 | H20 | 119.9° | 120.0° |
| C12 | C11 | C09 | N02 | 175.5° | 180.0° |
| C12 | C11 | C09 | H17 | 54.4° | 60.0° |
| C12 | C11 | C09 | H18 | 63.5° | 60.0° |
| C12 | C11 | H19 | H20 | 120.3° | 120.0° |
| C11 | C12 | H21 | H22 | 118.9° | 120.0° |
| C11 | C12 | C14 | H23 | 180.0° | 60.0° |
| C11 | C12 | C14 | H24 | 60.0° | 60.1° |
| C11 | C12 | C14 | H25 | 60.0° | 180.0° |
| C16 | C18 | C21 | H26 | 180.0° | 179.7° |
| C16 | C18 | C21 | C17 | 1.5° | 0.2° |
| C18 | C16 | C13 | N03 | 179.6° | 179.8° |
| C18 | C16 | C13 | C15 | 1.3° | 0.4° |
| C18 | C16 | C20 | H2 | 89.6° | 84.0° |
| C18 | C16 | C20 | H3 | 150.4° | 36.0° |
| C18 | C16 | C20 | H4 | 30.4° | 156.0° |
| C16 | C18 | C21 | H5 | 178.5° | 179.8° |
| C21 | C18 | C16 | C13 | 0.1° | 0.5° |
| C18 | C21 | C17 | H5 | 180.0° | 180.0° |
| C18 | C21 | C17 | C15 | 1.7° | 0.0° |
| C18 | C21 | C17 | H1 | 178.3° | 180.0° |
| C16 | C13 | N03 | C15 | 179.1° | 179.8° |
| C16 | C13 | N03 | C10 | 124.6° | 67.5° |
| C16 | C13 | C15 | C17 | 1.0° | 0.2° |
| C16 | C13 | C15 | C19 | 179.2° | 179.8° |
| C13 | C16 | C20 | H2 | 89.7° | 96.2° |
| C13 | C16 | C20 | H3 | 30.3° | 143.8° |
| C13 | C16 | C20 | H4 | 150.3° | 23.8° |
| C16 | C13 | N03 | H7 | 55.4° | 112.4° |
| C13 | C16 | C18 | H26 | 179.9° | 179.8° |
| C21 | C17 | C15 | C13 | 0.5° | 0.1° |
| C21 | C17 | C15 | H1 | 180.0° | 180.0° |
| C21 | C17 | C15 | C19 | 179.3° | 180.0° |
| C17 | C21 | C18 | H26 | 178.5° | 180.0° |
| C11 | C09 | N02 | H17 | 121.0° | 120.0° |
| C11 | C09 | N02 | H18 | 121.1° | 120.0° |
| C11 | C09 | N02 | C04 | 69.5° | 170.0° |
| C11 | C09 | N02 | C06 | 72.0° | 65.8° |
| C11 | C09 | H17 | H18 | 116.7° | 120.1° |
| C09 | C11 | H19 | H20 | 120.3° | 120.0° |
| C09 | C11 | C12 | H21 | 10.9° | 60.0° |
| C09 | C11 | C12 | H22 | 130.2° | 60.0° |
| C13 | N03 | C10 | H7 | 180.0° | 179.9° |
| N03 | C13 | C15 | C17 | 179.9° | 180.0° |
| N03 | C13 | C15 | C19 | 0.1° | 0.0° |
| C13 | N03 | C10 | C04 | 179.9° | 174.3° |
| C13 | N03 | C10 | O01 | 1.5° | 5.4° |
| C15 | C13 | N03 | C10 | 56.3° | 112.3° |
| C13 | C15 | C17 | C19 | 179.8° | 179.9° |
| C13 | C15 | C17 | H1 | 179.5° | 180.0° |
| C15 | C13 | N03 | H7 | 123.7° | 67.8° |
| C13 | C15 | C19 | H27 | 89.9° | 90.1° |
| C13 | C15 | C19 | H28 | 150.1° | 150.0° |
| C13 | C15 | C19 | H29 | 30.1° | 30.0° |
| N03 | C10 | C04 | O01 | 178.6° | 179.7° |
| N03 | C10 | C04 | N02 | 126.9° | 179.0° |
| N03 | C10 | C04 | C05 | 108.7° | 61.0° |
| N03 | C10 | C04 | H8 | 6.9° | 59.0° |
| C09 | N02 | C04 | C10 | 76.5° | 65.8° |
| C09 | N02 | C04 | C06 | 142.0° | 124.1° |
| C09 | N02 | C04 | C05 | 162.8° | 174.2° |
| C09 | N02 | C06 | C08 | 155.0° | 174.2° |
| C09 | N02 | C04 | H8 | 41.8° | 54.2° |
| C09 | N02 | C06 | H11 | 34.5° | 54.1° |
| C09 | N02 | C06 | H12 | 84.6° | 65.8° |
| N02 | C09 | H17 | H18 | 116.7° | 120.0° |
| N02 | C09 | C11 | H19 | 64.6° | 60.0° |
| N02 | C09 | C11 | H20 | 55.6° | 60.0° |
| C15 | C17 | C21 | H5 | 178.2° | 180.0° |
| C17 | C15 | C19 | H27 | 90.0° | 90.0° |
| C17 | C15 | C19 | H28 | 30.1° | 29.9° |
| C17 | C15 | C19 | H29 | 150.1° | 149.9° |
| C19 | C15 | C17 | H1 | 0.7° | 0.0° |
| C15 | C19 | H27 | H28 | 120.0° | 120.0° |
| C15 | C19 | H27 | H29 | 120.0° | 120.0° |
| C15 | C19 | H28 | H29 | 120.0° | 120.0° |
| C10 | C04 | N02 | C05 | 120.7° | 120.1° |
| C10 | C04 | N02 | H8 | 118.3° | 120.0° |
| C10 | C04 | N02 | C06 | 65.5° | 58.3° |
| C10 | C04 | C05 | H8 | 115.9° | 120.0° |
| C10 | C04 | C05 | C07 | 76.3° | 60.8° |
| C04 | C10 | N03 | H7 | 0.2° | 5.8° |
| C10 | C04 | C05 | H9 | 43.9° | 59.1° |
| C10 | C04 | C05 | H10 | 163.5° | 179.2° |
| O01 | C10 | C04 | N02 | 54.4° | 0.8° |
| O01 | C10 | C04 | C05 | 70.0° | 119.3° |
| O01 | C10 | N03 | H7 | 178.5° | 174.5° |
| O01 | C10 | C04 | H8 | 174.5° | 120.7° |
| N02 | C04 | C05 | H8 | 122.8° | 120.0° |
| C04 | N02 | C06 | C08 | 62.7° | 61.7° |
| N02 | C04 | C05 | C07 | 44.9° | 59.2° |
| N02 | C04 | C05 | H9 | 165.1° | 179.2° |
| N02 | C04 | C05 | H10 | 75.2° | 60.8° |
| C04 | N02 | C06 | H11 | 176.8° | 178.2° |
| C04 | N02 | C06 | H12 | 57.8° | 58.3° |
| C04 | N02 | C09 | H17 | 51.5° | 50.0° |
| C04 | N02 | C09 | H18 | 169.4° | 70.0° |
| C06 | N02 | C04 | C05 | 55.2° | 61.7° |
| N02 | C06 | C08 | H11 | 120.5° | 120.1° |
| N02 | C06 | C08 | H12 | 120.5° | 120.0° |
| N02 | C06 | C08 | C07 | 59.9° | 59.1° |
| C06 | N02 | C04 | H8 | 176.2° | 178.3° |
| N02 | C06 | H11 | H12 | 118.5° | 119.9° |
| N02 | C06 | C08 | H15 | 60.3° | 60.8° |
| N02 | C06 | C08 | H16 | 179.9° | 179.1° |
| C06 | N02 | C09 | H17 | 167.0° | 174.3° |
| C06 | N02 | C09 | H18 | 49.1° | 54.3° |
| C04 | C05 | C07 | H9 | 120.2° | 119.9° |
| C04 | C05 | C07 | H10 | 120.2° | 120.0° |
| C04 | C05 | C07 | C08 | 42.6° | 57.7° |
| C04 | C05 | H9 | H10 | 119.5° | 120.1° |
| C04 | C05 | C07 | H13 | 77.3° | 62.2° |
| C04 | C05 | C07 | H14 | 162.6° | 177.6° |
| C06 | C08 | C07 | C05 | 49.8° | 57.6° |
| C06 | C08 | C07 | H15 | 120.2° | 119.9° |
| C06 | C08 | C07 | H16 | 120.2° | 120.0° |
| C08 | C06 | H11 | H12 | 118.5° | 119.9° |
| C06 | C08 | C07 | H13 | 70.2° | 62.3° |
| C06 | C08 | C07 | H14 | 169.8° | 177.6° |
| C06 | C08 | H15 | H16 | 119.4° | 120.2° |
| C05 | C07 | C08 | H13 | 120.0° | 119.9° |
| C05 | C07 | C08 | H14 | 120.0° | 120.0° |
| C07 | C05 | C04 | H8 | 167.7° | 179.2° |
| C07 | C05 | H9 | H10 | 119.5° | 120.1° |
| C05 | C07 | H13 | H14 | 120.1° | 120.2° |
| C05 | C07 | C08 | H15 | 70.4° | 62.3° |
| C05 | C07 | C08 | H16 | 170.0° | 177.6° |
| C08 | C07 | C05 | H9 | 162.8° | 177.6° |
| C08 | C07 | C05 | H10 | 77.5° | 62.3° |
| C07 | C08 | C06 | H11 | 179.6° | 179.2° |
| C07 | C08 | C06 | H12 | 60.6° | 60.9° |
| C08 | C07 | H13 | H14 | 120.1° | 120.1° |
| C07 | C08 | H15 | H16 | 119.4° | 120.1° |
| H1 | C17 | C21 | H5 | 1.7° | 0.0° |
| H2 | C20 | H3 | H4 | 120.0° | 120.0° |
| H5 | C21 | C18 | H26 | 1.5° | 0.0° |
| H8 | C04 | C05 | H9 | 72.1° | 60.9° |
| H8 | C04 | C05 | H10 | 47.6° | 59.2° |
| H9 | C05 | C07 | H13 | 42.8° | 57.7° |
| H9 | C05 | C07 | H14 | 77.2° | 62.4° |
| H10 | C05 | C07 | H13 | 162.5° | 177.8° |
| H10 | C05 | C07 | H14 | 42.5° | 57.6° |
| H11 | C06 | C08 | H15 | 60.2° | 59.3° |
| H11 | C06 | C08 | H16 | 59.4° | 60.8° |
| H12 | C06 | C08 | H15 | 179.2° | 179.2° |
| H12 | C06 | C08 | H16 | 59.6° | 59.1° |
| H13 | C07 | C08 | H15 | 169.6° | 177.8° |
| H13 | C07 | C08 | H16 | 50.1° | 57.7° |
| H14 | C07 | C08 | H15 | 49.6° | 57.7° |
| H14 | C07 | C08 | H16 | 70.0° | 62.4° |
| H17 | C09 | C11 | H19 | 174.3° | 180.0° |
| H17 | C09 | C11 | H20 | 65.5° | 60.0° |
| H18 | C09 | C11 | H19 | 56.4° | 60.0° |
| H18 | C09 | C11 | H20 | 176.6° | 180.0° |
| H19 | C11 | C12 | H21 | 109.0° | 180.0° |
| H19 | C11 | C12 | H22 | 10.3° | 60.0° |
| H20 | C11 | C12 | H21 | 130.8° | 60.0° |
| H20 | C11 | C12 | H22 | 110.0° | 180.0° |
| H21 | C12 | C14 | H23 | 59.7° | 180.0° |
| H21 | C12 | C14 | H24 | 60.4° | 60.0° |
| H21 | C12 | C14 | H25 | 179.7° | 59.9° |
| H22 | C12 | C14 | H23 | 59.6° | 60.0° |
| H22 | C12 | C14 | H24 | 179.6° | 180.0° |
| H22 | C12 | C14 | H25 | 60.4° | 60.1° |
| H23 | C14 | H24 | H25 | 120.0° | 120.0° |
| H27 | C19 | H28 | H29 | 120.0° | 120.0° |
