0JG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | sing | 1.43Å | 1.38Å | |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C07 | C06 | doub | 1.32Å | 1.51Å | |
| C06 | N05 | sing | 1.39Å | 1.48Å | |
| N27 | C28 | doub | 1.32Å | 1.41Å | Aromatic |
| N27 | C04 | sing | 1.33Å | 1.38Å | Aromatic |
| C28 | N29 | sing | 1.32Å | 1.38Å | Aromatic |
| N05 | C04 | sing | 1.37Å | 1.47Å | Aromatic |
| N05 | C10 | sing | 1.37Å | 1.52Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.45Å | Aromatic |
| N29 | C02 | doub | 1.33Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C19 | doub | 1.36Å | 1.48Å | Aromatic |
| C03 | C02 | sing | 1.40Å | 1.46Å | Aromatic |
| C03 | C19 | sing | 1.47Å | 1.50Å | Aromatic |
| C17 | N18 | trip | 1.14Å | 1.11Å | |
| C17 | C12 | sing | 1.47Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C02 | N01 | sing | 1.38Å | 1.44Å | |
| O14 | C13 | sing | 1.34Å | 1.28Å | |
| O14 | C15 | sing | 1.45Å | 1.39Å | |
| C19 | C20 | sing | 1.48Å | 1.50Å | |
| C13 | O16 | doub | 1.21Å | 1.26Å | |
| C20 | C26 | doub | 1.39Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.46Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.46Å | Aromatic |
| C25 | C23 | doub | 1.38Å | 1.50Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.51Å | 1.46Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| N01 | H2 | sing | 0.97Å | 1.00Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| O09 | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C22 | H15 | sing | 1.08Å | 1.08Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C28 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | C07 | 117.4° | 109.5° |
| O09 | C08 | H5 | 107.4° | 109.5° |
| O09 | C08 | H6 | 107.5° | 109.5° |
| C08 | O09 | H7 | 109.5° | 114.0° |
| C08 | C07 | C06 | 115.1° | 120.0° |
| C08 | C07 | H4 | 122.4° | 120.0° |
| C07 | C08 | H5 | 107.5° | 109.5° |
| C07 | C08 | H6 | 107.4° | 109.4° |
| C07 | C06 | N05 | 119.9° | 120.0° |
| C07 | C06 | H3 | 120.1° | 120.0° |
| C06 | C07 | H4 | 122.4° | 120.0° |
| C06 | N05 | C04 | 121.9° | 124.9° |
| C06 | N05 | C10 | 128.4° | 124.9° |
| N05 | C06 | H3 | 120.0° | 120.0° |
| C28 | N27 | C04 | 120.1° | 120.7° |
| N27 | C28 | N29 | 121.3° | 122.7° |
| N27 | C28 | H21 | 119.3° | 118.7° |
| N27 | C04 | N05 | 130.5° | 134.1° |
| N27 | C04 | C03 | 120.3° | 118.5° |
| C28 | N29 | C02 | 121.2° | 120.9° |
| N29 | C28 | H21 | 119.4° | 118.6° |
| C04 | N05 | C10 | 109.7° | 110.2° |
| N05 | C04 | C03 | 109.2° | 107.4° |
| N05 | C10 | C11 | 141.6° | 125.2° |
| N05 | C10 | C19 | 103.3° | 109.6° |
| C04 | C03 | C02 | 118.2° | 118.7° |
| C04 | C03 | C19 | 106.1° | 106.2° |
| N29 | C02 | C03 | 118.9° | 118.4° |
| N29 | C02 | N01 | 119.8° | 120.8° |
| C11 | C10 | C19 | 114.9° | 125.2° |
| C10 | C11 | C12 | 112.2° | 109.5° |
| C10 | C11 | H8 | 108.8° | 109.5° |
| C10 | C11 | H9 | 108.8° | 109.5° |
| C10 | C19 | C03 | 111.6° | 106.6° |
| C10 | C19 | C20 | 119.7° | 126.8° |
| C02 | C03 | C19 | 135.6° | 135.1° |
| C03 | C02 | N01 | 121.4° | 120.8° |
| C03 | C19 | C20 | 128.6° | 126.7° |
| N18 | C17 | C12 | 178.2° | 180.0° |
| C17 | C12 | C11 | 111.8° | 109.4° |
| C17 | C12 | C13 | 114.5° | 109.5° |
| C17 | C12 | H10 | 108.7° | 109.5° |
| C11 | C12 | C13 | 105.2° | 109.5° |
| C12 | C11 | H8 | 108.7° | 109.5° |
| C12 | C11 | H9 | 108.8° | 109.4° |
| C11 | C12 | H10 | 108.5° | 109.5° |
| C12 | C13 | O14 | 120.8° | 120.0° |
| C12 | C13 | O16 | 119.5° | 120.0° |
| C13 | C12 | H10 | 108.0° | 109.4° |
| C02 | N01 | H1 | 109.5° | 120.0° |
| C02 | N01 | H2 | 109.5° | 120.0° |
| C13 | O14 | C15 | 120.9° | 117.0° |
| O14 | C13 | O16 | 119.7° | 120.0° |
| O14 | C15 | H11 | 109.5° | 109.5° |
| O14 | C15 | H12 | 109.5° | 109.5° |
| O14 | C15 | H13 | 109.4° | 109.5° |
| C19 | C20 | C26 | 120.1° | 120.1° |
| C19 | C20 | C21 | 119.4° | 120.1° |
| C26 | C20 | C21 | 120.4° | 119.8° |
| C20 | C26 | C25 | 120.4° | 119.8° |
| C20 | C26 | H20 | 119.8° | 120.1° |
| C20 | C21 | C22 | 119.2° | 119.9° |
| C20 | C21 | H14 | 120.4° | 120.1° |
| C26 | C25 | C23 | 118.8° | 120.2° |
| C26 | C25 | H19 | 120.6° | 119.9° |
| C25 | C26 | H20 | 119.8° | 120.1° |
| C21 | C22 | C23 | 120.3° | 120.1° |
| C22 | C21 | H14 | 120.4° | 120.1° |
| C21 | C22 | H15 | 119.8° | 120.0° |
| C25 | C23 | C22 | 120.8° | 120.3° |
| C25 | C23 | C24 | 120.0° | 119.9° |
| C23 | C25 | H19 | 120.6° | 119.9° |
| C22 | C23 | C24 | 119.2° | 119.9° |
| C23 | C22 | H15 | 119.9° | 119.9° |
| C23 | C24 | H16 | 109.5° | 109.5° |
| C23 | C24 | H17 | 109.5° | 109.5° |
| C23 | C24 | H18 | 109.4° | 109.5° |
| H1 | N01 | H2 | 109.5° | 119.9° |
| H5 | C08 | H6 | 109.5° | 109.4° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H13 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.4° | 109.4° |
| H16 | C24 | H18 | 109.5° | 109.4° |
| H17 | C24 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | C07 | H5 | 121.1° | 120.0° |
| O09 | C08 | C07 | H6 | 121.1° | 120.0° |
| O09 | C08 | C07 | C06 | 72.0° | 135.0° |
| O09 | C08 | C07 | H4 | 108.0° | 44.9° |
| O09 | C08 | H5 | H6 | 116.4° | 120.0° |
| C08 | C07 | C06 | H4 | 180.0° | 179.9° |
| C08 | C07 | C06 | N05 | 161.8° | 180.0° |
| C08 | C07 | C06 | H3 | 18.2° | 0.0° |
| C07 | C08 | H5 | H6 | 116.4° | 120.0° |
| C07 | C08 | O09 | H7 | 180.0° | 180.0° |
| C07 | C06 | N05 | H3 | 180.0° | 180.0° |
| C07 | C06 | N05 | C04 | 92.8° | 50.0° |
| C07 | C06 | N05 | C10 | 86.7° | 130.0° |
| C06 | C07 | C08 | H5 | 49.1° | 105.0° |
| C06 | C07 | C08 | H6 | 166.8° | 15.0° |
| C06 | N05 | C04 | N27 | 0.6° | 0.1° |
| C06 | N05 | C04 | C10 | 179.6° | 179.9° |
| C06 | N05 | C04 | C03 | 179.9° | 179.9° |
| C06 | N05 | C10 | C11 | 8.5° | 0.0° |
| C06 | N05 | C10 | C19 | 178.2° | 180.0° |
| N05 | C06 | C07 | H4 | 18.2° | 0.0° |
| N27 | C28 | N29 | H21 | 180.0° | 179.7° |
| C28 | N27 | C04 | N05 | 179.6° | 180.0° |
| C28 | N27 | C04 | C03 | 0.1° | 0.0° |
| N27 | C28 | N29 | C02 | 0.1° | 0.6° |
| C04 | N27 | C28 | N29 | 0.1° | 0.3° |
| N27 | C04 | N05 | C03 | 179.5° | 180.0° |
| N27 | C04 | N05 | C10 | 179.8° | 180.0° |
| N27 | C04 | C03 | C02 | 0.2° | 0.0° |
| N27 | C04 | C03 | C19 | 178.7° | 180.0° |
| C04 | N27 | C28 | H21 | 179.9° | 180.0° |
| C28 | N29 | C02 | C03 | 0.0° | 0.6° |
| C28 | N29 | C02 | N01 | 179.4° | 179.7° |
| C04 | N05 | C10 | C11 | 172.0° | 180.0° |
| C04 | N05 | C10 | C19 | 1.3° | 0.0° |
| N05 | C04 | C03 | C02 | 179.8° | 180.0° |
| N05 | C04 | C03 | C19 | 1.7° | 0.0° |
| C04 | N05 | C06 | H3 | 87.3° | 130.0° |
| C10 | N05 | C04 | C03 | 0.3° | 0.0° |
| N05 | C10 | C11 | C19 | 172.8° | 180.0° |
| N05 | C10 | C19 | C03 | 2.4° | 0.0° |
| N05 | C10 | C11 | C12 | 41.9° | 95.9° |
| N05 | C10 | C19 | C20 | 177.8° | 180.0° |
| C10 | N05 | C06 | H3 | 93.3° | 49.9° |
| N05 | C10 | C11 | H8 | 162.3° | 24.2° |
| N05 | C10 | C11 | H9 | 78.5° | 144.1° |
| C04 | C03 | C02 | N29 | 0.2° | 0.3° |
| C04 | C03 | C19 | C10 | 2.7° | 0.0° |
| C04 | C03 | C02 | C19 | 177.9° | 179.9° |
| C04 | C03 | C02 | N01 | 179.6° | 180.0° |
| C04 | C03 | C19 | C20 | 177.5° | 180.0° |
| N29 | C02 | C03 | N01 | 179.4° | 179.7° |
| N29 | C02 | C03 | C19 | 178.1° | 179.7° |
| N29 | C02 | N01 | H1 | 0.0° | 179.7° |
| N29 | C02 | N01 | H2 | 120.0° | 0.6° |
| C02 | N29 | C28 | H21 | 179.9° | 179.7° |
| C11 | C10 | C19 | C03 | 173.0° | 180.0° |
| C10 | C11 | C12 | C17 | 63.7° | 65.6° |
| C10 | C11 | C12 | H8 | 120.4° | 120.0° |
| C10 | C11 | C12 | H9 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 171.5° | 174.4° |
| C11 | C10 | C19 | C20 | 2.4° | 0.0° |
| C10 | C11 | H8 | H9 | 118.8° | 120.0° |
| C10 | C11 | C12 | H10 | 56.2° | 54.4° |
| C10 | C19 | C03 | C02 | 179.3° | 180.0° |
| C10 | C19 | C03 | C20 | 174.9° | 180.0° |
| C19 | C10 | C11 | C12 | 145.3° | 84.1° |
| C10 | C19 | C20 | C26 | 74.0° | 111.2° |
| C10 | C19 | C20 | C21 | 102.8° | 69.0° |
| C19 | C10 | C11 | H8 | 24.9° | 155.8° |
| C19 | C10 | C11 | H9 | 94.3° | 35.9° |
| C02 | C03 | C19 | C20 | 4.4° | 0.0° |
| C03 | C02 | N01 | H1 | 179.4° | 0.0° |
| C03 | C02 | N01 | H2 | 59.3° | 179.7° |
| C19 | C03 | C02 | N01 | 2.6° | 0.0° |
| C03 | C19 | C20 | C26 | 111.5° | 68.8° |
| C03 | C19 | C20 | C21 | 71.7° | 111.0° |
| N18 | C17 | C12 | C11 | 54.2° | 160.0° |
| N18 | C17 | C12 | C13 | 65.3° | 40.0° |
| N18 | C17 | C12 | H10 | 174.0° | 80.0° |
| C17 | C12 | C11 | C13 | 124.8° | 120.0° |
| C17 | C12 | C11 | H10 | 119.9° | 120.0° |
| C17 | C12 | C13 | H10 | 121.2° | 120.0° |
| C17 | C12 | C13 | O14 | 143.6° | 60.0° |
| C17 | C12 | C13 | O16 | 36.5° | 119.9° |
| C17 | C12 | C11 | H8 | 56.7° | 54.4° |
| C17 | C12 | C11 | H9 | 175.9° | 174.4° |
| C11 | C12 | C13 | H10 | 115.7° | 120.0° |
| C11 | C12 | C13 | O14 | 93.3° | 180.0° |
| C11 | C12 | C13 | O16 | 86.6° | 0.0° |
| C12 | C11 | H8 | H9 | 118.7° | 119.9° |
| C12 | C13 | O14 | O16 | 179.8° | 179.9° |
| C12 | C13 | O14 | C15 | 179.8° | 180.0° |
| C13 | C12 | C11 | H8 | 68.1° | 65.6° |
| C13 | C12 | C11 | H9 | 51.1° | 54.4° |
| C02 | N01 | H1 | H2 | 120.0° | 179.8° |
| O14 | C13 | C12 | H10 | 22.4° | 60.0° |
| C13 | O14 | C15 | H11 | 180.0° | 60.0° |
| C13 | O14 | C15 | H12 | 60.0° | 60.1° |
| C13 | O14 | C15 | H13 | 60.0° | 180.0° |
| C15 | O14 | C13 | O16 | 0.4° | 0.0° |
| O14 | C15 | H11 | H12 | 120.0° | 120.0° |
| O14 | C15 | H11 | H13 | 120.0° | 120.0° |
| O14 | C15 | H12 | H13 | 120.0° | 120.0° |
| C19 | C20 | C26 | C21 | 176.8° | 179.8° |
| C19 | C20 | C26 | C25 | 178.2° | 179.7° |
| C19 | C20 | C21 | C22 | 178.3° | 180.0° |
| C19 | C20 | C21 | H14 | 1.7° | 0.1° |
| C19 | C20 | C26 | H20 | 1.8° | 0.1° |
| O16 | C13 | C12 | H10 | 157.7° | 120.0° |
| C20 | C26 | C25 | H20 | 180.0° | 179.8° |
| C26 | C20 | C21 | C22 | 1.5° | 0.3° |
| C20 | C26 | C25 | C23 | 0.6° | 0.5° |
| C26 | C20 | C21 | H14 | 178.5° | 179.9° |
| C20 | C26 | C25 | H19 | 179.4° | 179.8° |
| C21 | C20 | C26 | C25 | 1.4° | 0.5° |
| C20 | C21 | C22 | H14 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.9° | 0.0° |
| C20 | C21 | C22 | H15 | 179.1° | 180.0° |
| C21 | C20 | C26 | H20 | 178.6° | 179.7° |
| C26 | C25 | C23 | H19 | 180.0° | 179.7° |
| C26 | C25 | C23 | C22 | 0.0° | 0.2° |
| C26 | C25 | C23 | C24 | 179.2° | 179.7° |
| C21 | C22 | C23 | C25 | 0.1° | 0.0° |
| C21 | C22 | C23 | H15 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 179.4° | 180.0° |
| C25 | C23 | C22 | C24 | 179.3° | 180.0° |
| C25 | C23 | C22 | H15 | 179.9° | 180.0° |
| C25 | C23 | C24 | H16 | 89.7° | 90.0° |
| C25 | C23 | C24 | H17 | 150.4° | 30.0° |
| C25 | C23 | C24 | H18 | 30.4° | 150.0° |
| C23 | C25 | C26 | H20 | 179.4° | 179.7° |
| C23 | C22 | C21 | H14 | 179.2° | 179.9° |
| C22 | C23 | C24 | H16 | 89.6° | 90.0° |
| C22 | C23 | C24 | H17 | 30.3° | 150.0° |
| C22 | C23 | C24 | H18 | 150.3° | 30.0° |
| C22 | C23 | C25 | H19 | 179.9° | 180.0° |
| C24 | C23 | C22 | H15 | 0.6° | 0.0° |
| C23 | C24 | H16 | H17 | 120.0° | 120.0° |
| C23 | C24 | H16 | H18 | 120.0° | 120.0° |
| C23 | C24 | H17 | H18 | 120.0° | 120.0° |
| C24 | C23 | C25 | H19 | 0.8° | 0.0° |
| H3 | C06 | C07 | H4 | 161.8° | 179.9° |
| H4 | C07 | C08 | H5 | 130.9° | 75.1° |
| H4 | C07 | C08 | H6 | 13.2° | 165.0° |
| H5 | C08 | O09 | H7 | 58.8° | 60.0° |
| H6 | C08 | O09 | H7 | 58.9° | 60.0° |
| H8 | C11 | C12 | H10 | 176.6° | 174.5° |
| H9 | C11 | C12 | H10 | 64.2° | 65.6° |
| H11 | C15 | H12 | H13 | 120.0° | 120.0° |
| H14 | C21 | C22 | H15 | 0.8° | 0.1° |
| H16 | C24 | H17 | H18 | 120.0° | 120.0° |
| H19 | C25 | C26 | H20 | 0.6° | 0.0° |
