5U2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C13 | sing | 1.43Å | 1.43Å | |
| C20 | O19 | sing | 1.43Å | 1.43Å | |
| C13 | C24 | sing | 1.54Å | 1.53Å | |
| C13 | C23 | sing | 1.54Å | 1.53Å | |
| C24 | N12 | sing | 1.48Å | 1.48Å | |
| O19 | C10 | sing | 1.36Å | 1.37Å | |
| C23 | N12 | sing | 1.48Å | 1.48Å | |
| C14 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| N12 | C11 | sing | 1.47Å | 1.47Å | |
| C15 | C3 | sing | 1.48Å | 1.49Å | |
| C15 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.42Å | |
| C3 | C4 | doub | 1.36Å | 1.38Å | |
| C2 | C1 | doub | 1.36Å | 1.36Å | |
| C4 | N5 | sing | 1.36Å | 1.37Å | |
| C18 | C11 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C1 | C6 | sing | 1.41Å | 1.42Å | |
| N5 | C6 | sing | 1.35Å | 1.37Å | |
| N5 | C8 | sing | 1.47Å | 1.47Å | |
| C6 | O7 | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | O21 | sing | 1.36Å | 1.37Å | |
| O21 | C22 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C13 | C24 | 113.8° | 113.8° |
| O25 | C13 | C23 | 115.5° | 113.7° |
| O25 | C13 | H6 | 114.8° | 113.0° |
| C13 | O25 | H25 | 109.5° | 114.0° |
| C20 | O19 | C10 | 119.1° | 117.0° |
| O19 | C20 | H7 | 109.5° | 109.4° |
| O19 | C20 | H8 | 109.4° | 109.4° |
| O19 | C20 | H9 | 109.4° | 109.5° |
| C24 | C13 | C23 | 82.7° | 86.4° |
| C13 | C24 | N12 | 87.2° | 86.2° |
| C24 | C13 | H6 | 113.1° | 113.7° |
| C13 | C24 | H13 | 114.7° | 113.8° |
| C13 | C24 | H14 | 114.7° | 113.7° |
| C13 | C23 | N12 | 87.1° | 86.2° |
| C23 | C13 | H6 | 113.0° | 113.7° |
| C13 | C23 | H23 | 114.7° | 113.8° |
| C13 | C23 | H24 | 114.7° | 113.8° |
| C24 | N12 | C23 | 86.7° | 90.8° |
| C24 | N12 | C11 | 113.3° | 111.0° |
| N12 | C24 | H13 | 114.7° | 113.8° |
| N12 | C24 | H14 | 114.7° | 113.7° |
| O19 | C10 | C14 | 120.4° | 120.0° |
| O19 | C10 | C18 | 119.5° | 119.9° |
| C23 | N12 | C11 | 110.3° | 111.0° |
| N12 | C23 | H23 | 114.7° | 113.8° |
| N12 | C23 | H24 | 114.8° | 113.8° |
| C10 | C14 | C15 | 120.1° | 120.0° |
| C14 | C10 | C18 | 120.0° | 120.1° |
| C10 | C14 | H21 | 120.0° | 120.0° |
| C14 | C15 | C3 | 121.7° | 120.1° |
| C14 | C15 | C16 | 119.1° | 119.8° |
| C15 | C14 | H21 | 119.9° | 120.0° |
| C10 | C18 | C11 | 119.0° | 120.0° |
| C10 | C18 | C17 | 120.3° | 120.1° |
| N12 | C11 | C18 | 111.9° | 109.4° |
| N12 | C11 | H19 | 108.9° | 109.5° |
| N12 | C11 | H20 | 108.8° | 109.5° |
| C3 | C15 | C16 | 118.9° | 120.1° |
| C15 | C3 | C2 | 119.0° | 120.1° |
| C15 | C3 | C4 | 121.8° | 120.1° |
| C15 | C16 | C17 | 121.2° | 119.9° |
| C15 | C16 | H22 | 119.4° | 120.1° |
| C2 | C3 | C4 | 119.2° | 119.7° |
| C3 | C2 | C1 | 119.9° | 119.2° |
| C3 | C2 | H15 | 120.1° | 120.5° |
| C3 | C4 | N5 | 120.9° | 120.5° |
| C3 | C4 | H1 | 119.6° | 119.8° |
| C2 | C1 | C9 | 118.3° | 120.3° |
| C2 | C1 | C6 | 119.5° | 119.4° |
| C1 | C2 | H15 | 120.0° | 120.4° |
| C4 | N5 | C6 | 120.4° | 120.9° |
| C4 | N5 | C8 | 118.6° | 119.6° |
| N5 | C4 | H1 | 119.6° | 119.7° |
| C11 | C18 | C17 | 120.6° | 119.9° |
| C18 | C11 | H19 | 108.9° | 109.5° |
| C18 | C11 | H20 | 108.8° | 109.5° |
| C18 | C17 | C16 | 119.1° | 120.1° |
| C18 | C17 | O21 | 120.8° | 120.0° |
| C9 | C1 | C6 | 122.3° | 120.3° |
| C1 | C9 | H16 | 109.5° | 109.5° |
| C1 | C9 | H17 | 109.4° | 109.5° |
| C1 | C9 | H18 | 109.4° | 109.5° |
| C1 | C6 | N5 | 120.1° | 120.2° |
| C1 | C6 | O7 | 119.3° | 119.9° |
| C6 | N5 | C8 | 120.8° | 119.5° |
| N5 | C6 | O7 | 120.6° | 119.9° |
| N5 | C8 | H2 | 109.5° | 109.5° |
| N5 | C8 | H3 | 109.5° | 109.5° |
| N5 | C8 | H4 | 109.5° | 109.4° |
| C16 | C17 | O21 | 120.1° | 120.0° |
| C17 | C16 | H22 | 119.4° | 120.0° |
| C17 | O21 | C22 | 118.7° | 117.0° |
| O21 | C22 | H10 | 109.5° | 109.5° |
| O21 | C22 | H11 | 109.5° | 109.5° |
| O21 | C22 | H12 | 109.5° | 109.4° |
| H2 | C8 | H3 | 109.4° | 109.5° |
| H2 | C8 | H4 | 109.5° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C22 | H11 | 109.5° | 109.5° |
| H10 | C22 | H12 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.4° | 109.5° |
| H13 | C24 | H14 | 109.4° | 113.0° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H16 | C9 | H18 | 109.5° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 113.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C13 | C24 | C23 | 114.7° | 114.4° |
| O25 | C13 | C24 | H6 | 133.3° | 131.2° |
| O25 | C13 | C23 | H6 | 135.1° | 131.2° |
| O25 | C13 | C24 | N12 | 144.1° | 138.1° |
| O25 | C13 | C23 | N12 | 142.3° | 138.1° |
| O25 | C13 | C24 | H13 | 28.1° | 107.6° |
| O25 | C13 | C24 | H14 | 99.9° | 23.8° |
| O25 | C13 | C23 | H23 | 101.7° | 23.7° |
| O25 | C13 | C23 | H24 | 26.3° | 107.6° |
| C20 | O19 | C10 | C14 | 64.1° | 0.3° |
| C20 | O19 | C10 | C18 | 118.8° | 179.9° |
| O19 | C20 | H7 | H8 | 120.0° | 120.0° |
| O19 | C20 | H7 | H9 | 120.0° | 120.0° |
| O19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C24 | C13 | C23 | H6 | 112.0° | 114.4° |
| C13 | C24 | N12 | H13 | 116.0° | 114.3° |
| C13 | C24 | N12 | H14 | 116.0° | 114.3° |
| C24 | C13 | C23 | N12 | 29.4° | 23.7° |
| C13 | C24 | N12 | C11 | 141.2° | 137.6° |
| C13 | C24 | H13 | H14 | 130.6° | 131.7° |
| C24 | C13 | C23 | H23 | 145.3° | 90.6° |
| C24 | C13 | C23 | H24 | 86.6° | 138.1° |
| C24 | C13 | O25 | H25 | 180.0° | 179.9° |
| C13 | C23 | N12 | H23 | 116.0° | 114.3° |
| C13 | C23 | N12 | H24 | 116.0° | 114.3° |
| C13 | C23 | N12 | C11 | 144.1° | 137.5° |
| C23 | C13 | C24 | H13 | 86.6° | 138.1° |
| C23 | C13 | C24 | H14 | 145.4° | 90.6° |
| C13 | C23 | H23 | H24 | 130.6° | 131.7° |
| C23 | C13 | O25 | H25 | 86.8° | 83.3° |
| C24 | N12 | C23 | C11 | 113.6° | 112.9° |
| C24 | N12 | C11 | C18 | 50.4° | 170.0° |
| N12 | C24 | C13 | H6 | 82.6° | 90.7° |
| N12 | C24 | H13 | H14 | 130.6° | 131.7° |
| C24 | N12 | C11 | H19 | 170.8° | 70.0° |
| C24 | N12 | C11 | H20 | 69.9° | 50.0° |
| C24 | N12 | C23 | H23 | 146.4° | 89.6° |
| C24 | N12 | C23 | H24 | 85.5° | 139.0° |
| O19 | C10 | C14 | C18 | 177.1° | 179.8° |
| O19 | C10 | C14 | C15 | 180.0° | 179.7° |
| O19 | C10 | C18 | C11 | 3.0° | 0.2° |
| O19 | C10 | C18 | C17 | 178.4° | 179.7° |
| C10 | O19 | C20 | H7 | 180.0° | 180.0° |
| C10 | O19 | C20 | H8 | 60.0° | 60.0° |
| C10 | O19 | C20 | H9 | 60.0° | 60.0° |
| O19 | C10 | C14 | H21 | 0.0° | 0.3° |
| C23 | N12 | C11 | C18 | 145.7° | 90.6° |
| N12 | C23 | C13 | H6 | 82.6° | 90.7° |
| C23 | N12 | C24 | H13 | 85.5° | 139.0° |
| C23 | N12 | C24 | H14 | 146.5° | 89.6° |
| C23 | N12 | C11 | H19 | 93.9° | 29.3° |
| C23 | N12 | C11 | H20 | 25.4° | 149.3° |
| N12 | C23 | H23 | H24 | 130.7° | 131.7° |
| C10 | C14 | C15 | H21 | 180.0° | 180.0° |
| C10 | C14 | C15 | C3 | 177.6° | 180.0° |
| C10 | C14 | C15 | C16 | 3.8° | 0.0° |
| C14 | C10 | C18 | C11 | 179.9° | 180.0° |
| C14 | C10 | C18 | C17 | 1.2° | 0.1° |
| C15 | C14 | C10 | C18 | 2.9° | 0.1° |
| C14 | C15 | C3 | C16 | 173.9° | 179.9° |
| C14 | C15 | C3 | C2 | 33.0° | 65.1° |
| C14 | C15 | C3 | C4 | 150.6° | 115.0° |
| C14 | C15 | C16 | C17 | 3.0° | 0.0° |
| C14 | C15 | C16 | H22 | 177.0° | 180.0° |
| C10 | C18 | C11 | N12 | 124.6° | 90.0° |
| C10 | C18 | C11 | C17 | 178.7° | 179.9° |
| C10 | C18 | C17 | C16 | 0.4° | 0.1° |
| C10 | C18 | C17 | O21 | 178.4° | 180.0° |
| C10 | C18 | C11 | H19 | 115.0° | 29.9° |
| C10 | C18 | C11 | H20 | 4.3° | 149.9° |
| C18 | C10 | C14 | H21 | 177.1° | 179.9° |
| N12 | C11 | C18 | H19 | 120.4° | 119.9° |
| N12 | C11 | C18 | H20 | 120.3° | 120.1° |
| N12 | C11 | C18 | C17 | 54.1° | 90.1° |
| C11 | N12 | C24 | H13 | 25.2° | 108.1° |
| C11 | N12 | C24 | H14 | 102.8° | 23.3° |
| N12 | C11 | H19 | H20 | 118.9° | 120.0° |
| C11 | N12 | C23 | H23 | 100.0° | 23.2° |
| C11 | N12 | C23 | H24 | 28.1° | 108.1° |
| C15 | C3 | C2 | C4 | 176.6° | 179.9° |
| C15 | C3 | C2 | C1 | 174.1° | 179.5° |
| C15 | C3 | C4 | N5 | 175.9° | 180.0° |
| C3 | C15 | C16 | C17 | 177.0° | 180.0° |
| C15 | C3 | C4 | H1 | 4.1° | 0.2° |
| C15 | C3 | C2 | H15 | 5.9° | 0.2° |
| C3 | C15 | C14 | H21 | 2.4° | 0.0° |
| C3 | C15 | C16 | H22 | 3.0° | 0.0° |
| C16 | C15 | C3 | C2 | 140.9° | 115.0° |
| C16 | C15 | C3 | C4 | 35.6° | 64.9° |
| C15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C15 | C16 | C17 | H22 | 180.0° | 180.0° |
| C15 | C16 | C17 | O21 | 177.5° | 180.0° |
| C16 | C15 | C14 | H21 | 176.2° | 180.0° |
| C3 | C2 | C1 | H15 | 180.0° | 179.7° |
| C2 | C3 | C4 | N5 | 0.5° | 0.1° |
| C3 | C2 | C1 | C9 | 179.2° | 179.7° |
| C3 | C2 | C1 | C6 | 1.5° | 0.9° |
| C2 | C3 | C4 | H1 | 179.5° | 179.7° |
| C4 | C3 | C2 | C1 | 2.5° | 0.6° |
| C3 | C4 | N5 | H1 | 180.0° | 179.8° |
| C3 | C4 | N5 | C6 | 2.4° | 0.1° |
| C3 | C4 | N5 | C8 | 177.4° | 179.8° |
| C4 | C3 | C2 | H15 | 177.5° | 179.7° |
| C2 | C1 | C9 | C6 | 179.3° | 179.4° |
| C2 | C1 | C6 | N5 | 1.5° | 0.7° |
| C2 | C1 | C6 | O7 | 178.9° | 179.4° |
| C2 | C1 | C9 | H16 | 180.0° | 179.4° |
| C2 | C1 | C9 | H17 | 60.0° | 60.6° |
| C2 | C1 | C9 | H18 | 60.0° | 59.4° |
| C4 | N5 | C6 | C1 | 3.5° | 0.1° |
| C4 | N5 | C6 | C8 | 174.9° | 179.9° |
| C4 | N5 | C6 | O7 | 177.0° | 179.9° |
| C4 | N5 | C8 | H2 | 180.0° | 90.0° |
| C4 | N5 | C8 | H3 | 60.0° | 149.9° |
| C4 | N5 | C8 | H4 | 60.0° | 29.9° |
| C11 | C18 | C17 | C16 | 179.1° | 179.9° |
| C11 | C18 | C17 | O21 | 0.2° | 0.1° |
| C18 | C11 | H19 | H20 | 118.9° | 120.0° |
| C18 | C17 | C16 | O21 | 178.8° | 180.0° |
| C18 | C17 | O21 | C22 | 151.2° | 179.9° |
| C17 | C18 | C11 | H19 | 66.3° | 150.0° |
| C17 | C18 | C11 | H20 | 174.4° | 30.0° |
| C18 | C17 | C16 | H22 | 178.7° | 179.9° |
| C9 | C1 | C6 | N5 | 177.8° | 179.9° |
| C9 | C1 | C6 | O7 | 1.8° | 0.0° |
| C9 | C1 | C2 | H15 | 0.8° | 0.0° |
| C1 | C9 | H16 | H17 | 120.0° | 120.0° |
| C1 | C9 | H16 | H18 | 120.0° | 120.0° |
| C1 | C9 | H17 | H18 | 119.9° | 120.0° |
| C1 | C6 | N5 | O7 | 179.6° | 179.9° |
| C1 | C6 | N5 | C8 | 178.4° | 179.9° |
| C6 | C1 | C2 | H15 | 178.5° | 179.4° |
| C6 | C1 | C9 | H16 | 0.7° | 0.0° |
| C6 | C1 | C9 | H17 | 120.7° | 120.0° |
| C6 | C1 | C9 | H18 | 119.3° | 120.0° |
| C6 | N5 | C4 | H1 | 177.5° | 179.9° |
| C6 | N5 | C8 | H2 | 5.0° | 90.1° |
| C6 | N5 | C8 | H3 | 125.0° | 30.0° |
| C6 | N5 | C8 | H4 | 115.0° | 150.0° |
| C8 | N5 | C6 | O7 | 2.1° | 0.0° |
| C8 | N5 | C4 | H1 | 2.6° | 0.0° |
| N5 | C8 | H2 | H3 | 120.0° | 120.1° |
| N5 | C8 | H2 | H4 | 120.0° | 119.9° |
| N5 | C8 | H3 | H4 | 120.0° | 120.0° |
| C16 | C17 | O21 | C22 | 30.0° | 0.0° |
| C17 | O21 | C22 | H10 | 180.0° | 180.0° |
| C17 | O21 | C22 | H11 | 60.0° | 59.9° |
| C17 | O21 | C22 | H12 | 60.0° | 60.0° |
| O21 | C17 | C16 | H22 | 2.5° | 0.0° |
| O21 | C22 | H10 | H11 | 120.0° | 120.0° |
| O21 | C22 | H10 | H12 | 120.0° | 120.0° |
| O21 | C22 | H11 | H12 | 120.0° | 120.0° |
| H2 | C8 | H3 | H4 | 120.0° | 120.0° |
| H6 | C13 | C24 | H13 | 161.4° | 23.7° |
| H6 | C13 | C24 | H14 | 33.4° | 155.0° |
| H6 | C13 | C23 | H23 | 33.4° | 155.0° |
| H6 | C13 | C23 | H24 | 161.4° | 23.7° |
| H6 | C13 | O25 | H25 | 47.5° | 48.3° |
| H7 | C20 | H8 | H9 | 120.0° | 120.1° |
| H10 | C22 | H11 | H12 | 120.0° | 120.0° |
| H16 | C9 | H17 | H18 | 120.0° | 120.0° |
