5EV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C8 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C7 | C1 | sing | 1.47Å | 1.50Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.37Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| N9 | C2 | sing | 1.38Å | 1.35Å | Aromatic |
| N9 | C11 | sing | 1.40Å | 1.39Å | |
| C14 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | N12 | sing | 1.40Å | 1.36Å | |
| C18 | O24 | sing | 1.36Å | 1.40Å | |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| O24 | C25 | sing | 1.36Å | 1.39Å | |
| N12 | C13 | sing | 1.38Å | 1.37Å | |
| C30 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | N23 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | N19 | sing | 1.33Å | 1.36Å | Aromatic |
| N23 | C22 | sing | 1.33Å | 1.37Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| N19 | C20 | doub | 1.33Å | 1.35Å | Aromatic |
| C32 | N31 | sing | 1.46Å | 1.46Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | N31 | sing | 1.39Å | 1.37Å | |
| C22 | C21 | doub | 1.40Å | 1.41Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C5 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| N12 | H19 | sing | 0.97Å | 1.00Å | |
| N31 | H20 | sing | 0.97Å | 1.00Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C32 | H22 | sing | 1.09Å | 1.10Å | |
| C32 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C8 | C7 | 122.7° | 125.0° |
| C10 | C8 | N9 | 126.0° | 125.1° |
| C8 | C10 | H16 | 109.5° | 109.5° |
| C8 | C10 | H17 | 109.5° | 109.5° |
| C8 | C10 | H18 | 109.5° | 109.5° |
| C8 | C7 | C1 | 105.8° | 107.0° |
| C7 | C8 | N9 | 111.3° | 109.9° |
| C8 | C7 | H15 | 127.1° | 126.5° |
| C7 | C1 | C6 | 134.0° | 133.9° |
| C7 | C1 | C2 | 103.6° | 106.1° |
| C1 | C7 | H15 | 127.1° | 126.5° |
| C8 | N9 | C2 | 109.7° | 109.8° |
| C8 | N9 | C11 | 126.4° | 125.1° |
| C1 | C6 | C5 | 117.0° | 119.9° |
| C6 | C1 | C2 | 121.8° | 120.0° |
| C1 | C6 | H14 | 121.5° | 120.1° |
| C6 | C5 | C4 | 122.1° | 120.5° |
| C6 | C5 | H13 | 118.9° | 119.8° |
| C5 | C6 | H14 | 121.5° | 120.1° |
| C1 | C2 | N9 | 109.5° | 107.1° |
| C1 | C2 | C3 | 121.0° | 119.4° |
| C2 | N9 | C11 | 123.9° | 125.1° |
| N9 | C2 | C3 | 129.4° | 133.4° |
| N9 | C11 | C14 | 121.4° | 120.1° |
| N9 | C11 | C18 | 119.6° | 120.1° |
| C11 | C14 | C15 | 121.1° | 120.0° |
| C14 | C11 | C18 | 118.9° | 119.8° |
| C11 | C14 | H2 | 119.5° | 120.0° |
| C14 | C15 | C16 | 119.2° | 120.2° |
| C15 | C14 | H2 | 119.4° | 120.0° |
| C14 | C15 | H3 | 120.4° | 120.0° |
| C2 | C3 | C4 | 117.5° | 119.7° |
| C2 | C3 | H1 | 121.2° | 120.1° |
| C5 | C4 | C3 | 119.7° | 120.5° |
| C5 | C4 | N12 | 117.0° | 119.8° |
| C4 | C5 | H13 | 118.9° | 119.8° |
| C11 | C18 | O24 | 115.5° | 120.1° |
| C11 | C18 | C17 | 120.4° | 119.8° |
| C15 | C16 | C17 | 120.1° | 120.2° |
| C16 | C15 | H3 | 120.4° | 119.9° |
| C15 | C16 | H4 | 119.9° | 119.9° |
| C3 | C4 | N12 | 123.1° | 119.7° |
| C4 | C3 | H1 | 121.2° | 120.2° |
| C4 | N12 | C13 | 127.6° | 120.1° |
| C4 | N12 | H19 | 116.2° | 120.0° |
| O24 | C18 | C17 | 124.0° | 120.1° |
| C18 | O24 | C25 | 123.5° | 118.0° |
| C18 | C17 | C16 | 120.3° | 120.0° |
| C18 | C17 | H5 | 119.9° | 120.0° |
| C17 | C16 | H4 | 120.0° | 119.9° |
| C16 | C17 | H5 | 119.9° | 120.0° |
| O24 | C25 | C30 | 118.3° | 120.1° |
| O24 | C25 | C26 | 121.1° | 120.1° |
| N12 | C13 | N23 | 121.0° | 119.2° |
| N12 | C13 | N19 | 120.7° | 119.2° |
| C13 | N12 | H19 | 116.2° | 120.0° |
| C25 | C30 | C29 | 119.9° | 119.9° |
| C30 | C25 | C26 | 120.4° | 119.9° |
| C25 | C30 | H12 | 120.1° | 120.1° |
| C30 | C29 | C28 | 119.9° | 120.1° |
| C30 | C29 | H11 | 120.0° | 119.9° |
| C29 | C30 | H12 | 120.0° | 120.0° |
| C25 | C26 | C27 | 119.6° | 120.0° |
| C25 | C26 | H8 | 120.2° | 120.0° |
| N23 | C13 | N19 | 118.3° | 121.6° |
| C13 | N23 | C22 | 123.1° | 120.7° |
| C13 | N19 | C20 | 122.4° | 120.9° |
| N23 | C22 | N31 | 119.6° | 120.5° |
| N23 | C22 | C21 | 118.1° | 119.0° |
| C29 | C28 | C27 | 120.4° | 120.1° |
| C29 | C28 | H10 | 119.8° | 120.0° |
| C28 | C29 | H11 | 120.1° | 120.0° |
| N19 | C20 | C21 | 119.5° | 119.3° |
| N19 | C20 | H6 | 120.3° | 120.4° |
| C32 | N31 | C22 | 126.9° | 120.0° |
| C32 | N31 | H20 | 104.9° | 120.0° |
| N31 | C32 | H21 | 109.5° | 109.5° |
| N31 | C32 | H22 | 109.5° | 109.5° |
| N31 | C32 | H23 | 109.5° | 109.4° |
| C26 | C27 | C28 | 119.8° | 120.0° |
| C27 | C26 | H8 | 120.2° | 120.0° |
| C26 | C27 | H9 | 120.1° | 120.0° |
| N31 | C22 | C21 | 122.3° | 120.4° |
| C22 | N31 | H20 | 105.0° | 120.0° |
| C22 | C21 | C20 | 118.6° | 118.5° |
| C22 | C21 | H7 | 120.7° | 120.8° |
| C28 | C27 | H9 | 120.1° | 120.0° |
| C27 | C28 | H10 | 119.8° | 119.9° |
| C21 | C20 | H6 | 120.3° | 120.4° |
| C20 | C21 | H7 | 120.7° | 120.8° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H18 | 109.5° | 109.4° |
| H17 | C10 | H18 | 109.5° | 109.5° |
| H21 | C32 | H22 | 109.5° | 109.4° |
| H21 | C32 | H23 | 109.4° | 109.5° |
| H22 | C32 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C8 | C7 | N9 | 179.1° | 179.7° |
| C10 | C8 | C7 | C1 | 179.6° | 180.0° |
| C10 | C8 | N9 | C2 | 179.0° | 179.9° |
| C10 | C8 | N9 | C11 | 1.5° | 0.3° |
| C10 | C8 | C7 | H15 | 0.4° | 0.3° |
| C8 | C10 | H16 | H17 | 120.0° | 120.0° |
| C8 | C10 | H16 | H18 | 120.0° | 120.0° |
| C8 | C10 | H17 | H18 | 120.0° | 120.0° |
| C8 | C7 | C1 | H15 | 180.0° | 179.8° |
| C8 | C7 | C1 | C6 | 173.0° | 179.7° |
| C8 | C7 | C1 | C2 | 2.1° | 0.0° |
| C7 | C8 | N9 | C2 | 0.1° | 0.4° |
| C7 | C8 | N9 | C11 | 179.4° | 180.0° |
| C7 | C8 | C10 | H16 | 89.6° | 90.0° |
| C7 | C8 | C10 | H17 | 150.5° | 150.0° |
| C7 | C8 | C10 | H18 | 30.5° | 29.9° |
| C1 | C7 | C8 | N9 | 1.3° | 0.3° |
| C7 | C1 | C6 | C2 | 169.7° | 179.7° |
| C7 | C1 | C6 | C5 | 177.6° | 179.6° |
| C7 | C1 | C2 | N9 | 2.1° | 0.2° |
| C7 | C1 | C2 | C3 | 177.1° | 179.7° |
| C7 | C1 | C6 | H14 | 2.4° | 0.3° |
| C8 | N9 | C2 | C1 | 1.5° | 0.4° |
| C8 | N9 | C2 | C11 | 179.5° | 179.6° |
| C8 | N9 | C11 | C14 | 106.6° | 90.3° |
| C8 | N9 | C2 | C3 | 177.7° | 179.5° |
| C8 | N9 | C11 | C18 | 71.3° | 90.0° |
| N9 | C8 | C7 | H15 | 178.7° | 180.0° |
| N9 | C8 | C10 | H16 | 89.4° | 90.3° |
| N9 | C8 | C10 | H17 | 30.5° | 29.7° |
| N9 | C8 | C10 | H18 | 150.5° | 149.7° |
| C1 | C6 | C5 | H14 | 180.0° | 179.9° |
| C6 | C1 | C2 | N9 | 174.5° | 180.0° |
| C6 | C1 | C2 | C3 | 4.8° | 0.1° |
| C1 | C6 | C5 | C4 | 2.8° | 0.0° |
| C1 | C6 | C5 | H13 | 177.2° | 180.0° |
| C6 | C1 | C7 | H15 | 7.0° | 0.0° |
| C5 | C6 | C1 | C2 | 7.9° | 0.1° |
| C6 | C5 | C4 | H13 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 5.5° | 0.0° |
| C6 | C5 | C4 | N12 | 179.5° | 180.0° |
| C1 | C2 | N9 | C3 | 179.2° | 179.9° |
| C1 | C2 | N9 | C11 | 178.0° | 180.0° |
| C1 | C2 | C3 | C4 | 3.6° | 0.1° |
| C1 | C2 | C3 | H1 | 176.4° | 180.0° |
| C2 | C1 | C6 | H14 | 172.1° | 180.0° |
| C2 | C1 | C7 | H15 | 178.0° | 179.8° |
| C2 | N9 | C11 | C14 | 74.0° | 89.3° |
| C2 | N9 | C11 | C18 | 108.2° | 90.5° |
| N9 | C2 | C3 | C4 | 177.2° | 180.0° |
| N9 | C2 | C3 | H1 | 2.8° | 0.1° |
| N9 | C11 | C14 | C18 | 177.9° | 179.8° |
| N9 | C11 | C14 | C15 | 178.5° | 179.8° |
| C11 | N9 | C2 | C3 | 2.8° | 0.1° |
| N9 | C11 | C18 | O24 | 0.7° | 0.2° |
| N9 | C11 | C18 | C17 | 176.8° | 179.8° |
| N9 | C11 | C14 | H2 | 1.5° | 0.3° |
| C11 | C14 | C15 | H2 | 180.0° | 179.9° |
| C11 | C14 | C15 | C16 | 1.0° | 0.0° |
| C14 | C11 | C18 | O24 | 178.6° | 180.0° |
| C14 | C11 | C18 | C17 | 1.1° | 0.0° |
| C11 | C14 | C15 | H3 | 179.0° | 180.0° |
| C15 | C14 | C11 | C18 | 0.7° | 0.0° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.4° | 0.0° |
| C14 | C15 | C16 | H4 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 8.5° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C2 | C3 | C4 | N12 | 176.8° | 180.0° |
| C5 | C4 | C3 | N12 | 174.7° | 180.0° |
| C5 | C4 | N12 | C13 | 153.0° | 145.1° |
| C5 | C4 | C3 | H1 | 171.5° | 179.9° |
| C4 | C5 | C6 | H14 | 177.2° | 180.0° |
| C5 | C4 | N12 | H19 | 27.0° | 35.0° |
| C11 | C18 | O24 | C17 | 177.4° | 180.0° |
| C11 | C18 | C17 | C16 | 2.5° | 0.0° |
| C11 | C18 | O24 | C25 | 177.5° | 176.6° |
| C18 | C11 | C14 | H2 | 179.3° | 179.9° |
| C11 | C18 | C17 | H5 | 177.6° | 179.9° |
| C15 | C16 | C17 | C18 | 2.1° | 0.0° |
| C15 | C16 | C17 | H4 | 180.0° | 180.0° |
| C16 | C15 | C14 | H2 | 179.0° | 179.9° |
| C15 | C16 | C17 | H5 | 177.9° | 179.9° |
| C3 | C4 | N12 | C13 | 32.1° | 34.9° |
| C3 | C4 | C5 | H13 | 174.5° | 180.0° |
| C3 | C4 | N12 | H19 | 147.9° | 145.1° |
| C4 | N12 | C13 | H19 | 180.0° | 180.0° |
| C4 | N12 | C13 | N23 | 8.0° | 174.3° |
| C4 | N12 | C13 | N19 | 174.8° | 6.0° |
| N12 | C4 | C3 | H1 | 3.2° | 0.1° |
| N12 | C4 | C5 | H13 | 0.5° | 0.0° |
| O24 | C18 | C17 | C16 | 179.8° | 180.0° |
| C18 | O24 | C25 | C30 | 102.0° | 102.9° |
| C18 | O24 | C25 | C26 | 82.1° | 77.4° |
| O24 | C18 | C17 | H5 | 0.2° | 0.1° |
| C18 | C17 | C16 | H5 | 180.0° | 179.9° |
| C17 | C18 | O24 | C25 | 5.0° | 3.4° |
| C18 | C17 | C16 | H4 | 177.8° | 180.0° |
| C17 | C16 | C15 | H3 | 179.6° | 180.0° |
| O24 | C25 | C30 | C26 | 176.0° | 179.7° |
| O24 | C25 | C30 | C29 | 177.2° | 179.8° |
| O24 | C25 | C26 | C27 | 176.8° | 179.7° |
| O24 | C25 | C26 | H8 | 3.2° | 0.4° |
| O24 | C25 | C30 | H12 | 2.8° | 0.3° |
| N12 | C13 | N23 | N19 | 177.2° | 179.7° |
| N12 | C13 | N23 | C22 | 177.6° | 179.7° |
| N12 | C13 | N19 | C20 | 178.2° | 179.7° |
| C25 | C30 | C29 | H12 | 180.0° | 179.9° |
| C25 | C30 | C29 | C28 | 0.3° | 0.1° |
| C30 | C25 | C26 | C27 | 1.0° | 0.1° |
| C30 | C25 | C26 | H8 | 179.1° | 180.0° |
| C25 | C30 | C29 | H11 | 179.7° | 179.9° |
| C29 | C30 | C25 | C26 | 1.2° | 0.1° |
| C30 | C29 | C28 | H11 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.8° | 0.1° |
| C30 | C29 | C28 | H10 | 179.2° | 179.9° |
| C25 | C26 | C27 | H8 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H9 | 179.9° | 179.9° |
| C26 | C25 | C30 | H12 | 178.8° | 180.0° |
| N23 | C13 | N19 | C20 | 1.0° | 0.0° |
| C13 | N23 | C22 | N31 | 179.6° | 180.0° |
| C13 | N23 | C22 | C21 | 0.4° | 0.0° |
| N23 | C13 | N12 | H19 | 172.0° | 5.7° |
| N19 | C13 | N23 | C22 | 0.4° | 0.0° |
| C13 | N19 | C20 | C21 | 0.7° | 0.0° |
| C13 | N19 | C20 | H6 | 179.3° | 180.0° |
| N19 | C13 | N12 | H19 | 5.2° | 174.1° |
| N23 | C22 | N31 | C32 | 14.4° | 180.0° |
| N23 | C22 | N31 | C21 | 180.0° | 179.9° |
| N23 | C22 | C21 | C20 | 0.7° | 0.0° |
| N23 | C22 | C21 | H7 | 179.3° | 180.0° |
| N23 | C22 | N31 | H20 | 107.9° | 0.1° |
| C29 | C28 | C27 | C26 | 1.0° | 0.1° |
| C29 | C28 | C27 | H10 | 180.0° | 179.9° |
| C29 | C28 | C27 | H9 | 179.0° | 179.9° |
| C28 | C29 | C30 | H12 | 179.7° | 180.0° |
| N19 | C20 | C21 | C22 | 0.1° | 0.0° |
| N19 | C20 | C21 | H6 | 180.0° | 180.0° |
| N19 | C20 | C21 | H7 | 179.9° | 179.9° |
| C32 | N31 | C22 | H20 | 122.3° | 179.9° |
| C32 | N31 | C22 | C21 | 165.6° | 0.1° |
| N31 | C32 | H21 | H22 | 120.0° | 120.0° |
| N31 | C32 | H21 | H23 | 120.0° | 120.0° |
| N31 | C32 | H22 | H23 | 120.0° | 120.0° |
| C26 | C27 | C28 | H9 | 180.0° | 180.0° |
| C26 | C27 | C28 | H10 | 179.0° | 180.0° |
| N31 | C22 | C21 | C20 | 179.3° | 179.9° |
| N31 | C22 | C21 | H7 | 0.7° | 0.1° |
| C22 | N31 | C32 | H21 | 180.0° | 59.9° |
| C22 | N31 | C32 | H22 | 60.0° | 60.1° |
| C22 | N31 | C32 | H23 | 60.0° | 180.0° |
| C22 | C21 | C20 | H7 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 179.9° | 180.0° |
| C21 | C22 | N31 | H20 | 72.1° | 180.0° |
| C28 | C27 | C26 | H8 | 179.8° | 180.0° |
| C27 | C28 | C29 | H11 | 179.2° | 180.0° |
| H2 | C14 | C15 | H3 | 1.0° | 0.1° |
| H3 | C15 | C16 | H4 | 0.5° | 0.0° |
| H4 | C16 | C17 | H5 | 2.1° | 0.0° |
| H6 | C20 | C21 | H7 | 0.1° | 0.0° |
| H8 | C26 | C27 | H9 | 0.2° | 0.0° |
| H9 | C27 | C28 | H10 | 1.0° | 0.0° |
| H10 | C28 | C29 | H11 | 0.8° | 0.0° |
| H11 | C29 | C30 | H12 | 0.3° | 0.1° |
| H13 | C5 | C6 | H14 | 2.8° | 0.0° |
| H16 | C10 | H17 | H18 | 120.0° | 120.0° |
| H20 | N31 | C32 | H21 | 57.7° | 119.9° |
| H20 | N31 | C32 | H22 | 62.3° | 120.1° |
| H20 | N31 | C32 | H23 | 177.6° | 0.1° |
| H21 | C32 | H22 | H23 | 120.0° | 120.0° |
