08N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N16 | sing | 1.47Å | 1.37Å | |
| C18 | N16 | sing | 1.47Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.50Å | |
| N16 | C15 | sing | 1.47Å | 1.45Å | |
| C19 | C20 | sing | 1.51Å | 1.46Å | |
| C15 | C21 | sing | 1.51Å | 1.53Å | |
| C15 | C04 | sing | 1.53Å | 1.45Å | |
| C20 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| O01 | C02 | doub | 1.22Å | 1.18Å | |
| C30 | C29 | doub | 1.38Å | 1.33Å | Aromatic |
| O03 | C02 | sing | 1.34Å | 1.34Å | |
| O03 | C04 | sing | 1.45Å | 1.30Å | |
| C22 | O23 | sing | 1.36Å | 1.25Å | |
| C22 | C25 | doub | 1.39Å | 1.32Å | Aromatic |
| C02 | C14 | sing | 1.47Å | 1.40Å | |
| C04 | C05 | sing | 1.51Å | 1.53Å | |
| O23 | C24 | sing | 1.43Å | 1.29Å | |
| C13 | O12 | sing | 1.43Å | 1.31Å | |
| C29 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C29 | O28 | sing | 1.37Å | 1.23Å | |
| C25 | O26 | sing | 1.37Å | 1.27Å | |
| O28 | C27 | sing | 1.44Å | 1.34Å | |
| C14 | C05 | doub | 1.40Å | 1.35Å | Aromatic |
| C14 | C11 | sing | 1.40Å | 1.34Å | Aromatic |
| C05 | C06 | sing | 1.37Å | 1.35Å | Aromatic |
| O26 | C27 | sing | 1.44Å | 1.32Å | |
| O12 | C11 | sing | 1.36Å | 1.31Å | |
| C11 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.30Å | |
| C08 | C07 | sing | 1.38Å | 1.35Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.31Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C06 | H2 | sing | 1.08Å | 1.08Å | |
| C07 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C30 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | N16 | C18 | 101.7° | 111.0° |
| C17 | N16 | C15 | 108.4° | 111.0° |
| N16 | C17 | H11 | 109.5° | 109.5° |
| N16 | C17 | H12 | 109.4° | 109.5° |
| N16 | C17 | H13 | 109.5° | 109.5° |
| N16 | C18 | C19 | 114.9° | 108.5° |
| C18 | N16 | C15 | 117.9° | 110.2° |
| N16 | C18 | H14 | 108.1° | 109.6° |
| N16 | C18 | H15 | 108.1° | 109.7° |
| C18 | C19 | C20 | 115.8° | 110.0° |
| C19 | C18 | H14 | 108.1° | 109.6° |
| C19 | C18 | H15 | 108.1° | 109.6° |
| C18 | C19 | H16 | 107.9° | 109.4° |
| C18 | C19 | H17 | 107.9° | 109.4° |
| N16 | C15 | C21 | 117.4° | 110.5° |
| N16 | C15 | C04 | 105.4° | 109.2° |
| N16 | C15 | H10 | 110.3° | 109.3° |
| C19 | C20 | C21 | 119.5° | 121.6° |
| C19 | C20 | C30 | 120.8° | 118.4° |
| C20 | C19 | H16 | 107.8° | 109.4° |
| C20 | C19 | H17 | 107.9° | 109.4° |
| C21 | C15 | C04 | 104.3° | 109.2° |
| C15 | C21 | C20 | 120.7° | 121.9° |
| C15 | C21 | C22 | 120.8° | 118.3° |
| C21 | C15 | H10 | 109.0° | 109.3° |
| C15 | C04 | O03 | 105.5° | 109.8° |
| C15 | C04 | C05 | 119.5° | 110.1° |
| C15 | C04 | H1 | 108.8° | 110.0° |
| C04 | C15 | H10 | 110.2° | 109.3° |
| C21 | C20 | C30 | 119.7° | 120.0° |
| C20 | C21 | C22 | 118.5° | 119.8° |
| C20 | C30 | C29 | 119.6° | 120.5° |
| C20 | C30 | H23 | 120.2° | 119.7° |
| C21 | C22 | O23 | 116.0° | 119.8° |
| C21 | C22 | C25 | 121.3° | 120.4° |
| O01 | C02 | O03 | 116.5° | 124.9° |
| O01 | C02 | C14 | 133.2° | 124.9° |
| C30 | C29 | C25 | 121.3° | 119.7° |
| C30 | C29 | O28 | 132.1° | 131.6° |
| C29 | C30 | H23 | 120.2° | 119.8° |
| C02 | O03 | C04 | 112.0° | 109.0° |
| O03 | C02 | C14 | 110.2° | 110.3° |
| O03 | C04 | C05 | 103.8° | 106.3° |
| O03 | C04 | H1 | 111.1° | 110.4° |
| O23 | C22 | C25 | 122.7° | 119.8° |
| C22 | O23 | C24 | 121.3° | 117.0° |
| C22 | C25 | C29 | 119.6° | 119.7° |
| C22 | C25 | O26 | 132.5° | 131.7° |
| C02 | C14 | C05 | 105.7° | 108.1° |
| C02 | C14 | C11 | 130.6° | 132.5° |
| C04 | C05 | C14 | 107.4° | 106.3° |
| C04 | C05 | C06 | 135.2° | 133.3° |
| C05 | C04 | H1 | 107.9° | 110.1° |
| O23 | C24 | H18 | 109.5° | 109.5° |
| O23 | C24 | H19 | 109.4° | 109.5° |
| O23 | C24 | H20 | 109.5° | 109.5° |
| C13 | O12 | C11 | 115.8° | 117.0° |
| O12 | C13 | H7 | 109.5° | 109.5° |
| O12 | C13 | H8 | 109.5° | 109.5° |
| O12 | C13 | H9 | 109.5° | 109.5° |
| C25 | C29 | O28 | 106.5° | 108.7° |
| C29 | C25 | O26 | 107.9° | 108.7° |
| C29 | O28 | C27 | 109.6° | 105.5° |
| C25 | O26 | C27 | 107.3° | 105.5° |
| O28 | C27 | O26 | 105.3° | 103.7° |
| O28 | C27 | H21 | 110.5° | 110.6° |
| O28 | C27 | H22 | 110.5° | 110.7° |
| C05 | C14 | C11 | 123.7° | 119.4° |
| C14 | C05 | C06 | 117.4° | 120.4° |
| C14 | C11 | O12 | 119.1° | 120.2° |
| C14 | C11 | C08 | 119.2° | 119.6° |
| C05 | C06 | C07 | 120.7° | 120.1° |
| C05 | C06 | H2 | 119.6° | 119.9° |
| O26 | C27 | H21 | 110.5° | 110.6° |
| O26 | C27 | H22 | 110.5° | 110.6° |
| O12 | C11 | C08 | 121.7° | 120.2° |
| C11 | C08 | C07 | 117.9° | 120.2° |
| C11 | C08 | O09 | 120.9° | 119.9° |
| C06 | C07 | C08 | 121.1° | 120.3° |
| C07 | C06 | H2 | 119.6° | 120.0° |
| C06 | C07 | H3 | 119.4° | 119.9° |
| C10 | O09 | C08 | 118.9° | 117.0° |
| O09 | C10 | H4 | 109.5° | 109.4° |
| O09 | C10 | H5 | 109.5° | 109.5° |
| O09 | C10 | H6 | 109.5° | 109.5° |
| C07 | C08 | O09 | 121.2° | 119.9° |
| C08 | C07 | H3 | 119.5° | 119.8° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H7 | C13 | H9 | 109.5° | 109.5° |
| H8 | C13 | H9 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H13 | 109.5° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.8° |
| H16 | C19 | H17 | 109.5° | 109.3° |
| H18 | C24 | H19 | 109.4° | 109.5° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H21 | C27 | H22 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | N16 | C18 | C15 | 118.2° | 123.4° |
| C17 | N16 | C18 | C19 | 156.2° | 165.3° |
| C17 | N16 | C15 | C21 | 127.4° | 175.9° |
| C17 | N16 | C15 | C04 | 117.0° | 63.9° |
| C17 | N16 | C15 | H10 | 1.8° | 55.6° |
| N16 | C17 | H11 | H12 | 120.0° | 120.0° |
| N16 | C17 | H11 | H13 | 120.0° | 120.0° |
| N16 | C17 | H12 | H13 | 120.0° | 120.0° |
| C17 | N16 | C18 | H14 | 83.1° | 75.1° |
| C17 | N16 | C18 | H15 | 35.3° | 45.6° |
| N16 | C18 | C19 | H14 | 120.8° | 119.7° |
| N16 | C18 | C19 | H15 | 120.8° | 119.7° |
| N16 | C18 | C19 | C20 | 43.5° | 50.5° |
| C18 | N16 | C15 | C21 | 12.8° | 52.5° |
| C18 | N16 | C15 | C04 | 128.3° | 172.7° |
| C18 | N16 | C15 | H10 | 112.8° | 67.8° |
| C18 | N16 | C17 | H11 | 180.0° | 36.9° |
| C18 | N16 | C17 | H12 | 60.0° | 157.0° |
| C18 | N16 | C17 | H13 | 60.0° | 83.0° |
| N16 | C18 | H14 | H15 | 117.5° | 120.6° |
| N16 | C18 | C19 | H16 | 77.4° | 69.7° |
| N16 | C18 | C19 | H17 | 164.4° | 170.6° |
| C19 | C18 | N16 | C15 | 37.9° | 71.3° |
| C18 | C19 | C20 | H16 | 120.9° | 120.2° |
| C18 | C19 | C20 | H17 | 120.9° | 120.1° |
| C18 | C19 | C20 | C21 | 23.2° | 16.9° |
| C18 | C19 | C20 | C30 | 156.0° | 163.2° |
| C19 | C18 | H14 | H15 | 117.6° | 120.5° |
| C18 | C19 | H16 | H17 | 117.1° | 119.7° |
| N16 | C15 | C21 | C04 | 116.1° | 120.2° |
| N16 | C15 | C21 | H10 | 126.2° | 120.2° |
| N16 | C15 | C04 | H10 | 118.9° | 119.5° |
| N16 | C15 | C21 | C20 | 8.2° | 17.4° |
| N16 | C15 | C21 | C22 | 174.8° | 162.7° |
| N16 | C15 | C04 | O03 | 67.5° | 56.7° |
| N16 | C15 | C04 | C05 | 48.7° | 60.1° |
| N16 | C15 | C04 | H1 | 173.2° | 178.3° |
| C15 | N16 | C17 | H11 | 55.1° | 159.9° |
| C15 | N16 | C17 | H12 | 64.9° | 80.1° |
| C15 | N16 | C17 | H13 | 175.1° | 40.0° |
| C15 | N16 | C18 | H14 | 158.7° | 48.3° |
| C15 | N16 | C18 | H15 | 82.9° | 169.0° |
| C19 | C20 | C21 | C15 | 2.3° | 0.3° |
| C19 | C20 | C21 | C30 | 179.2° | 179.9° |
| C19 | C20 | C21 | C22 | 179.3° | 179.8° |
| C19 | C20 | C30 | C29 | 180.0° | 179.9° |
| C20 | C19 | C18 | H14 | 164.3° | 69.2° |
| C20 | C19 | C18 | H15 | 77.3° | 170.2° |
| C20 | C19 | H16 | H17 | 117.1° | 119.7° |
| C19 | C20 | C30 | H23 | 0.0° | 0.2° |
| C21 | C15 | C04 | H10 | 116.9° | 119.5° |
| C15 | C21 | C20 | C22 | 177.0° | 179.9° |
| C15 | C21 | C20 | C30 | 178.5° | 179.7° |
| C21 | C15 | C04 | O03 | 168.3° | 177.6° |
| C15 | C21 | C22 | O23 | 1.7° | 0.2° |
| C15 | C21 | C22 | C25 | 179.1° | 179.8° |
| C21 | C15 | C04 | C05 | 75.5° | 60.9° |
| C21 | C15 | C04 | H1 | 49.0° | 60.7° |
| C04 | C15 | C21 | C20 | 107.9° | 137.6° |
| C04 | C15 | C21 | C22 | 69.0° | 42.5° |
| C15 | C04 | O03 | C02 | 117.5° | 119.3° |
| C15 | C04 | O03 | C05 | 126.5° | 119.1° |
| C15 | C04 | O03 | H1 | 117.8° | 121.5° |
| C15 | C04 | C05 | H1 | 125.0° | 121.5° |
| C15 | C04 | C05 | C14 | 111.5° | 119.2° |
| C15 | C04 | C05 | C06 | 67.6° | 60.8° |
| C21 | C20 | C30 | C29 | 0.8° | 0.1° |
| C20 | C21 | C22 | O23 | 178.7° | 179.9° |
| C20 | C21 | C22 | C25 | 2.1° | 0.2° |
| C20 | C21 | C15 | H10 | 134.4° | 102.8° |
| C21 | C20 | C19 | H16 | 97.8° | 103.3° |
| C21 | C20 | C19 | H17 | 144.1° | 137.0° |
| C21 | C20 | C30 | H23 | 179.1° | 179.9° |
| C30 | C20 | C21 | C22 | 1.5° | 0.2° |
| C20 | C30 | C29 | H23 | 180.0° | 179.9° |
| C20 | C30 | C29 | C25 | 0.7° | 0.1° |
| C20 | C30 | C29 | O28 | 178.5° | 180.0° |
| C30 | C20 | C19 | H16 | 83.1° | 76.6° |
| C30 | C20 | C19 | H17 | 35.1° | 43.0° |
| C21 | C22 | O23 | C25 | 179.2° | 180.0° |
| C21 | C22 | O23 | C24 | 155.7° | 95.6° |
| C21 | C22 | C25 | C29 | 1.9° | 0.0° |
| C21 | C22 | C25 | O26 | 178.9° | 179.9° |
| C22 | C21 | C15 | H10 | 48.6° | 77.1° |
| O01 | C02 | O03 | C14 | 177.3° | 179.7° |
| O01 | C02 | O03 | C04 | 167.8° | 179.7° |
| O01 | C02 | C14 | C05 | 171.5° | 179.9° |
| O01 | C02 | C14 | C11 | 7.9° | 0.0° |
| C30 | C29 | C25 | C22 | 1.2° | 0.1° |
| C30 | C29 | C25 | O28 | 178.3° | 180.0° |
| C30 | C29 | C25 | O26 | 179.4° | 179.9° |
| C30 | C29 | O28 | C27 | 169.8° | 162.8° |
| C02 | O03 | C04 | C05 | 9.0° | 0.2° |
| O03 | C02 | C14 | C05 | 5.2° | 0.3° |
| O03 | C02 | C14 | C11 | 175.4° | 179.7° |
| C02 | O03 | C04 | H1 | 124.7° | 119.2° |
| C04 | O03 | C02 | C14 | 9.5° | 0.0° |
| O03 | C04 | C05 | H1 | 118.0° | 119.6° |
| O03 | C04 | C05 | C14 | 5.6° | 0.4° |
| O03 | C04 | C05 | C06 | 175.4° | 179.6° |
| O03 | C04 | C15 | H10 | 51.4° | 62.8° |
| O23 | C22 | C25 | C29 | 178.9° | 180.0° |
| O23 | C22 | C25 | O26 | 0.3° | 0.0° |
| C22 | O23 | C24 | H18 | 180.0° | 65.0° |
| C22 | O23 | C24 | H19 | 60.0° | 55.0° |
| C22 | O23 | C24 | H20 | 60.0° | 174.9° |
| C25 | C22 | O23 | C24 | 25.0° | 84.4° |
| C22 | C25 | C29 | O26 | 179.4° | 180.0° |
| C22 | C25 | C29 | O28 | 179.6° | 179.9° |
| C22 | C25 | O26 | C27 | 168.9° | 162.6° |
| C02 | C14 | C05 | C04 | 0.2° | 0.4° |
| C02 | C14 | C05 | C11 | 179.5° | 180.0° |
| C02 | C14 | C05 | C06 | 179.5° | 179.6° |
| C02 | C14 | C11 | O12 | 1.4° | 0.0° |
| C02 | C14 | C11 | C08 | 179.4° | 179.2° |
| C04 | C05 | C14 | C06 | 179.2° | 180.0° |
| C04 | C05 | C14 | C11 | 179.2° | 179.6° |
| C04 | C05 | C06 | C07 | 179.1° | 180.0° |
| C04 | C05 | C06 | H2 | 0.9° | 0.1° |
| C05 | C04 | C15 | H10 | 167.6° | 179.6° |
| O23 | C24 | H18 | H19 | 120.0° | 120.0° |
| O23 | C24 | H18 | H20 | 120.0° | 120.0° |
| O23 | C24 | H19 | H20 | 120.0° | 120.0° |
| C13 | O12 | C11 | C14 | 85.3° | 90.8° |
| C13 | O12 | C11 | C08 | 95.5° | 90.0° |
| O12 | C13 | H7 | H8 | 120.0° | 120.0° |
| O12 | C13 | H7 | H9 | 120.0° | 120.0° |
| O12 | C13 | H8 | H9 | 120.0° | 120.0° |
| C25 | C29 | O28 | C27 | 12.1° | 17.3° |
| C29 | C25 | O26 | C27 | 10.3° | 17.3° |
| C25 | C29 | C30 | H23 | 179.3° | 180.0° |
| O28 | C29 | C25 | O26 | 1.1° | 0.0° |
| C29 | O28 | C27 | O26 | 18.4° | 27.1° |
| C29 | O28 | C27 | H21 | 100.9° | 91.5° |
| C29 | O28 | C27 | H22 | 137.7° | 145.7° |
| O28 | C29 | C30 | H23 | 1.4° | 0.0° |
| C25 | O26 | C27 | O28 | 17.2° | 27.1° |
| C25 | O26 | C27 | H21 | 102.2° | 91.4° |
| C25 | O26 | C27 | H22 | 136.5° | 145.8° |
| O28 | C27 | O26 | H21 | 119.4° | 118.6° |
| O28 | C27 | O26 | H22 | 119.3° | 118.7° |
| O28 | C27 | H21 | H22 | 121.9° | 122.9° |
| C05 | C14 | C11 | O12 | 179.3° | 180.0° |
| C05 | C14 | C11 | C08 | 0.1° | 0.8° |
| C14 | C05 | C06 | C07 | 0.1° | 0.0° |
| C14 | C05 | C04 | H1 | 123.6° | 119.2° |
| C14 | C05 | C06 | H2 | 179.9° | 180.0° |
| C11 | C14 | C05 | C06 | 0.0° | 0.4° |
| C14 | C11 | O12 | C08 | 179.2° | 179.2° |
| C14 | C11 | C08 | C07 | 0.0° | 0.8° |
| C14 | C11 | C08 | O09 | 178.6° | 179.5° |
| C05 | C06 | C07 | H2 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C05 | C04 | H1 | 57.4° | 60.8° |
| C05 | C06 | C07 | H3 | 179.8° | 180.0° |
| O26 | C27 | H21 | H22 | 121.9° | 122.8° |
| O12 | C11 | C08 | C07 | 179.2° | 180.0° |
| O12 | C11 | C08 | O09 | 0.6° | 0.4° |
| C11 | O12 | C13 | H7 | 180.0° | 180.0° |
| C11 | O12 | C13 | H8 | 60.0° | 60.0° |
| C11 | O12 | C13 | H9 | 60.0° | 60.0° |
| C11 | C08 | C07 | C06 | 0.1° | 0.4° |
| C11 | C08 | O09 | C10 | 70.9° | 179.6° |
| C11 | C08 | C07 | O09 | 178.6° | 179.6° |
| C11 | C08 | C07 | H3 | 179.9° | 179.6° |
| C06 | C07 | C08 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | O09 | 178.7° | 180.0° |
| C10 | O09 | C08 | C07 | 110.6° | 0.0° |
| O09 | C10 | H4 | H5 | 120.0° | 120.0° |
| O09 | C10 | H4 | H6 | 120.0° | 120.0° |
| O09 | C10 | H5 | H6 | 120.0° | 120.0° |
| C08 | C07 | C06 | H2 | 179.8° | 180.0° |
| O09 | C08 | C07 | H3 | 1.3° | 0.0° |
| C08 | O09 | C10 | H4 | 180.0° | 60.0° |
| C08 | O09 | C10 | H5 | 60.0° | 60.0° |
| C08 | O09 | C10 | H6 | 60.0° | 180.0° |
| H1 | C04 | C15 | H10 | 67.9° | 58.8° |
| H2 | C06 | C07 | H3 | 0.2° | 0.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C13 | H8 | H9 | 120.0° | 120.0° |
| H11 | C17 | H12 | H13 | 120.0° | 119.9° |
| H14 | C18 | C19 | H16 | 43.4° | 170.6° |
| H14 | C18 | C19 | H17 | 74.8° | 50.9° |
| H15 | C18 | C19 | H16 | 161.8° | 50.0° |
| H15 | C18 | C19 | H17 | 43.6° | 69.7° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
