EV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.51Å | Aromatic |
| C2 | N8 | sing | 1.39Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | N10 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | CL7 | sing | 1.74Å | 1.79Å | |
| N8 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| N8 | C12 | sing | 1.46Å | 1.49Å | |
| C9 | N10 | doub | 1.31Å | 1.37Å | Aromatic |
| C9 | N11 | sing | 1.38Å | 1.37Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.37Å | |
| N17 | C18 | sing | 1.46Å | 1.47Å | |
| N17 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C24 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N11 | HN1A | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.6° | 119.9° |
| C1 | C2 | C3 | 119.0° | 120.0° |
| C1 | C2 | N8 | 132.8° | 133.9° |
| C2 | C1 | H1 | 120.2° | 120.1° |
| C1 | C6 | C5 | 120.4° | 120.4° |
| C6 | C1 | H1 | 120.2° | 120.1° |
| C1 | C6 | H6 | 119.8° | 119.8° |
| C3 | C2 | N8 | 108.2° | 106.2° |
| C2 | C3 | C4 | 119.8° | 119.5° |
| C2 | C3 | N10 | 107.3° | 107.1° |
| C2 | N8 | C9 | 103.2° | 107.2° |
| C2 | N8 | C12 | 124.3° | 126.3° |
| C4 | C3 | N10 | 132.8° | 133.4° |
| C3 | C4 | C5 | 118.0° | 119.8° |
| C3 | C4 | H4 | 121.0° | 120.2° |
| C3 | N10 | C9 | 104.8° | 109.7° |
| C4 | C5 | C6 | 123.1° | 120.4° |
| C4 | C5 | CL7 | 116.9° | 119.8° |
| C5 | C4 | H4 | 121.0° | 120.1° |
| C6 | C5 | CL7 | 120.0° | 119.8° |
| C5 | C6 | H6 | 119.8° | 119.8° |
| C9 | N8 | C12 | 132.5° | 126.4° |
| N8 | C9 | N10 | 116.5° | 109.9° |
| N8 | C9 | N11 | 125.1° | 125.0° |
| N8 | C12 | C13 | 110.0° | 109.5° |
| N8 | C12 | H12 | 109.3° | 109.5° |
| N8 | C12 | H12A | 109.3° | 109.5° |
| N10 | C9 | N11 | 118.4° | 125.1° |
| C9 | N11 | HN11 | 109.5° | 120.0° |
| C9 | N11 | HN1A | 109.4° | 120.0° |
| C12 | C13 | C14 | 115.4° | 109.5° |
| C13 | C12 | H12 | 109.3° | 109.5° |
| C13 | C12 | H12A | 109.3° | 109.5° |
| C12 | C13 | H13 | 107.5° | 109.4° |
| C12 | C13 | H13A | 107.5° | 109.5° |
| C13 | C14 | C15 | 108.1° | 109.5° |
| C14 | C13 | H13 | 107.5° | 109.5° |
| C14 | C13 | H13A | 107.5° | 109.5° |
| C13 | C14 | H14 | 109.9° | 109.5° |
| C13 | C14 | H14A | 109.9° | 109.5° |
| C14 | C15 | O16 | 117.2° | 120.0° |
| C14 | C15 | N17 | 121.1° | 120.0° |
| C15 | C14 | H14 | 109.9° | 109.5° |
| C15 | C14 | H14A | 109.9° | 109.5° |
| O16 | C15 | N17 | 121.7° | 120.0° |
| C15 | N17 | C18 | 125.0° | 120.0° |
| C15 | N17 | C19 | 119.1° | 120.0° |
| C18 | N17 | C19 | 115.9° | 120.0° |
| N17 | C18 | H18 | 109.5° | 109.5° |
| N17 | C18 | H18A | 109.5° | 109.5° |
| N17 | C18 | H18B | 109.5° | 109.5° |
| N17 | C19 | C20 | 109.2° | 109.5° |
| N17 | C19 | C24 | 108.4° | 109.4° |
| N17 | C19 | H19 | 110.0° | 109.5° |
| C20 | C19 | C24 | 108.2° | 109.5° |
| C19 | C20 | C21 | 106.0° | 109.5° |
| C20 | C19 | H19 | 110.2° | 109.5° |
| C19 | C20 | H20 | 110.7° | 109.5° |
| C19 | C20 | H20A | 110.6° | 109.5° |
| C19 | C24 | C23 | 102.6° | 109.5° |
| C24 | C19 | H19 | 111.0° | 109.5° |
| C19 | C24 | H24 | 111.8° | 109.5° |
| C19 | C24 | H24A | 111.8° | 109.5° |
| C20 | C21 | C22 | 112.2° | 109.5° |
| C21 | C20 | H20 | 110.6° | 109.5° |
| C21 | C20 | H20A | 110.6° | 109.5° |
| C20 | C21 | H21 | 108.6° | 109.5° |
| C20 | C21 | H21A | 108.6° | 109.5° |
| C21 | C22 | C23 | 115.5° | 109.5° |
| C22 | C21 | H21 | 108.6° | 109.5° |
| C22 | C21 | H21A | 108.6° | 109.5° |
| C21 | C22 | H22 | 107.5° | 109.5° |
| C21 | C22 | H22A | 107.5° | 109.4° |
| C22 | C23 | C24 | 109.6° | 109.5° |
| C23 | C22 | H22 | 107.5° | 109.5° |
| C23 | C22 | H22A | 107.5° | 109.5° |
| C22 | C23 | H23 | 109.4° | 109.5° |
| C22 | C23 | H23A | 109.4° | 109.5° |
| C24 | C23 | H23 | 109.4° | 109.5° |
| C24 | C23 | H23A | 109.5° | 109.5° |
| C23 | C24 | H24 | 111.8° | 109.5° |
| C23 | C24 | H24A | 111.8° | 109.5° |
| HN11 | N11 | HN1A | 109.5° | 120.0° |
| H12 | C12 | H12A | 109.7° | 109.4° |
| H13 | C13 | H13A | 111.4° | 109.5° |
| H14 | C14 | H14A | 109.0° | 109.4° |
| H18 | C18 | H18A | 109.4° | 109.5° |
| H18 | C18 | H18B | 109.4° | 109.5° |
| H18A | C18 | H18B | 109.5° | 109.4° |
| H20 | C20 | H20A | 108.3° | 109.5° |
| H21 | C21 | H21A | 110.4° | 109.5° |
| H22 | C22 | H22A | 111.4° | 109.5° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H24 | C24 | H24A | 107.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | N8 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | N10 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.1° |
| C1 | C2 | N8 | C9 | 179.9° | 180.0° |
| C1 | C2 | N8 | C12 | 2.0° | 0.0° |
| C2 | C1 | C6 | H6 | 178.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C6 | C1 | C2 | N8 | 178.8° | 180.0° |
| C1 | C6 | C5 | C4 | 2.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | CL7 | 179.7° | 180.0° |
| C2 | C3 | C4 | N10 | 179.4° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | C2 | N8 | C9 | 1.0° | 0.0° |
| C3 | C2 | N8 | C12 | 178.8° | 180.0° |
| C2 | C3 | N10 | C9 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 179.7° | 179.7° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| N8 | C2 | C3 | C4 | 178.5° | 180.0° |
| N8 | C2 | C3 | N10 | 1.1° | 0.0° |
| C2 | N8 | C9 | C12 | 177.6° | 180.0° |
| C2 | N8 | C9 | N10 | 0.6° | 0.0° |
| C2 | N8 | C9 | N11 | 177.9° | 180.0° |
| C2 | N8 | C12 | C13 | 101.4° | 90.0° |
| N8 | C2 | C1 | H1 | 1.2° | 0.3° |
| C2 | N8 | C12 | H12 | 18.6° | 150.0° |
| C2 | N8 | C12 | H12A | 138.6° | 30.1° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.6° | 0.0° |
| C3 | C4 | C5 | CL7 | 179.2° | 180.0° |
| C4 | C3 | N10 | C9 | 178.8° | 180.0° |
| N10 | C3 | C4 | C5 | 179.3° | 180.0° |
| C3 | N10 | C9 | N8 | 0.1° | 0.0° |
| C3 | N10 | C9 | N11 | 178.6° | 180.0° |
| N10 | C3 | C4 | H4 | 0.7° | 0.1° |
| C4 | C5 | C6 | CL7 | 177.6° | 180.0° |
| C4 | C5 | C6 | H6 | 177.9° | 180.0° |
| C5 | C6 | C1 | H1 | 178.9° | 179.7° |
| C6 | C5 | C4 | H4 | 178.4° | 179.9° |
| CL7 | C5 | C4 | H4 | 0.8° | 0.0° |
| CL7 | C5 | C6 | H6 | 0.3° | 0.0° |
| N8 | C9 | N10 | N11 | 178.6° | 180.0° |
| C9 | N8 | C12 | C13 | 75.8° | 90.0° |
| N8 | C9 | N11 | HN11 | 178.4° | 0.1° |
| N8 | C9 | N11 | HN1A | 58.4° | 180.0° |
| C9 | N8 | C12 | H12 | 164.2° | 30.0° |
| C9 | N8 | C12 | H12A | 44.2° | 149.9° |
| C12 | N8 | C9 | N10 | 178.3° | 180.0° |
| C12 | N8 | C9 | N11 | 0.2° | 0.0° |
| N8 | C12 | C13 | H12 | 120.0° | 120.0° |
| N8 | C12 | C13 | H12A | 120.0° | 120.1° |
| N8 | C12 | C13 | C14 | 26.4° | 180.0° |
| N8 | C12 | H12 | H12A | 119.8° | 120.0° |
| N8 | C12 | C13 | H13 | 146.5° | 60.0° |
| N8 | C12 | C13 | H13A | 93.5° | 60.0° |
| N10 | C9 | N11 | HN11 | 0.0° | 179.9° |
| N10 | C9 | N11 | HN1A | 120.0° | 0.0° |
| C9 | N11 | HN11 | HN1A | 120.0° | 179.9° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | C14 | C15 | 83.1° | 180.0° |
| C13 | C12 | H12 | H12A | 119.7° | 120.0° |
| C12 | C13 | H13 | H13A | 117.5° | 120.0° |
| C12 | C13 | C14 | H14 | 156.9° | 60.0° |
| C12 | C13 | C14 | H14A | 36.9° | 60.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | C15 | O16 | 25.7° | 0.0° |
| C13 | C14 | C15 | N17 | 155.6° | 180.0° |
| C14 | C13 | C12 | H12 | 93.6° | 60.0° |
| C14 | C13 | C12 | H12A | 146.4° | 60.0° |
| C14 | C13 | H13 | H13A | 117.6° | 120.0° |
| C13 | C14 | H14 | H14A | 120.6° | 120.0° |
| C14 | C15 | O16 | N17 | 178.7° | 179.9° |
| C14 | C15 | N17 | C18 | 179.3° | 0.1° |
| C14 | C15 | N17 | C19 | 1.9° | 180.0° |
| C15 | C14 | C13 | H13 | 36.9° | 60.1° |
| C15 | C14 | C13 | H13A | 157.0° | 60.0° |
| C15 | C14 | H14 | H14A | 120.6° | 120.0° |
| O16 | C15 | N17 | C18 | 2.1° | 180.0° |
| O16 | C15 | N17 | C19 | 179.5° | 0.1° |
| O16 | C15 | C14 | H14 | 94.3° | 120.0° |
| O16 | C15 | C14 | H14A | 145.7° | 120.0° |
| C15 | N17 | C18 | C19 | 177.5° | 179.9° |
| C15 | N17 | C19 | C20 | 174.5° | 120.0° |
| C15 | N17 | C19 | C24 | 56.9° | 120.0° |
| N17 | C15 | C14 | H14 | 84.4° | 60.0° |
| N17 | C15 | C14 | H14A | 35.6° | 59.9° |
| C15 | N17 | C18 | H18 | 180.0° | 90.0° |
| C15 | N17 | C18 | H18A | 60.0° | 149.9° |
| C15 | N17 | C18 | H18B | 60.0° | 30.0° |
| C15 | N17 | C19 | H19 | 64.5° | 0.0° |
| C18 | N17 | C19 | C20 | 7.9° | 59.9° |
| C18 | N17 | C19 | C24 | 125.4° | 60.1° |
| N17 | C18 | H18 | H18A | 120.0° | 120.1° |
| N17 | C18 | H18 | H18B | 120.0° | 120.0° |
| N17 | C18 | H18A | H18B | 120.0° | 120.0° |
| C18 | N17 | C19 | H19 | 113.1° | 180.0° |
| N17 | C19 | C20 | C24 | 117.7° | 120.0° |
| N17 | C19 | C20 | H19 | 120.9° | 120.0° |
| N17 | C19 | C24 | H19 | 120.8° | 120.0° |
| N17 | C19 | C20 | C21 | 171.3° | 180.0° |
| N17 | C19 | C24 | C23 | 165.5° | 180.0° |
| C19 | N17 | C18 | H18 | 2.5° | 90.0° |
| C19 | N17 | C18 | H18A | 117.4° | 30.0° |
| C19 | N17 | C18 | H18B | 122.5° | 150.0° |
| N17 | C19 | C20 | H20 | 51.3° | 60.0° |
| N17 | C19 | C20 | H20A | 68.7° | 60.0° |
| N17 | C19 | C24 | H24 | 74.6° | 60.0° |
| N17 | C19 | C24 | H24A | 45.5° | 60.0° |
| C20 | C19 | C24 | H19 | 121.0° | 120.0° |
| C19 | C20 | C21 | H20 | 120.0° | 120.0° |
| C19 | C20 | C21 | H20A | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 51.7° | 60.0° |
| C20 | C19 | C24 | C23 | 76.3° | 60.0° |
| C19 | C20 | H20 | H20A | 121.4° | 120.0° |
| C19 | C20 | C21 | H21 | 68.4° | 60.0° |
| C19 | C20 | C21 | H21A | 171.6° | 180.0° |
| C20 | C19 | C24 | H24 | 43.7° | 60.0° |
| C20 | C19 | C24 | H24A | 163.7° | 180.0° |
| C24 | C19 | C20 | C21 | 71.0° | 60.0° |
| C19 | C24 | C23 | C22 | 62.1° | 60.0° |
| C19 | C24 | C23 | H24 | 120.0° | 120.0° |
| C19 | C24 | C23 | H24A | 120.0° | 120.0° |
| C24 | C19 | C20 | H20 | 169.0° | 180.0° |
| C24 | C19 | C20 | H20A | 49.0° | 60.0° |
| C19 | C24 | C23 | H23 | 58.0° | 60.0° |
| C19 | C24 | C23 | H23A | 178.0° | 180.0° |
| C19 | C24 | H24 | H24A | 122.8° | 120.0° |
| C20 | C21 | C22 | H21 | 120.0° | 120.0° |
| C20 | C21 | C22 | H21A | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 43.3° | 60.0° |
| C21 | C20 | C19 | H19 | 50.5° | 60.0° |
| C21 | C20 | H20 | H20A | 121.4° | 120.0° |
| C20 | C21 | H21 | H21A | 118.9° | 120.0° |
| C20 | C21 | C22 | H22 | 163.3° | 180.0° |
| C20 | C21 | C22 | H22A | 76.7° | 60.0° |
| C21 | C22 | C23 | H22 | 120.0° | 120.0° |
| C21 | C22 | C23 | H22A | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 49.0° | 60.0° |
| C22 | C21 | C20 | H20 | 171.7° | 180.0° |
| C22 | C21 | C20 | H20A | 68.3° | 60.0° |
| C22 | C21 | H21 | H21A | 118.9° | 120.0° |
| C21 | C22 | H22 | H22A | 117.5° | 119.9° |
| C21 | C22 | C23 | H23 | 71.0° | 60.0° |
| C21 | C22 | C23 | H23A | 169.0° | 180.0° |
| C22 | C23 | C24 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23A | 120.0° | 120.0° |
| C23 | C22 | C21 | H21 | 76.7° | 60.0° |
| C23 | C22 | C21 | H21A | 163.3° | 180.0° |
| C23 | C22 | H22 | H22A | 117.5° | 120.0° |
| C22 | C23 | H23 | H23A | 119.9° | 120.0° |
| C22 | C23 | C24 | H24 | 57.9° | 60.0° |
| C22 | C23 | C24 | H24A | 178.0° | 180.0° |
| C23 | C24 | C19 | H19 | 44.6° | 60.0° |
| C24 | C23 | C22 | H22 | 169.0° | 180.0° |
| C24 | C23 | C22 | H22A | 71.0° | 60.0° |
| C24 | C23 | H23 | H23A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 122.8° | 120.0° |
| H1 | C1 | C6 | H6 | 1.1° | 0.2° |
| H12 | C12 | C13 | H13 | 26.4° | 180.0° |
| H12 | C12 | C13 | H13A | 146.4° | 60.0° |
| H12A | C12 | C13 | H13 | 93.5° | 60.0° |
| H12A | C12 | C13 | H13A | 26.5° | 180.0° |
| H13 | C13 | C14 | H14 | 83.1° | 180.0° |
| H13 | C13 | C14 | H14A | 157.0° | 60.0° |
| H13A | C13 | C14 | H14 | 36.9° | 60.0° |
| H13A | C13 | C14 | H14A | 83.0° | 180.0° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
| H19 | C19 | C20 | H20 | 69.5° | 60.0° |
| H19 | C19 | C20 | H20A | 170.4° | 180.0° |
| H19 | C19 | C24 | H24 | 164.6° | 180.0° |
| H19 | C19 | C24 | H24A | 75.4° | 60.0° |
| H20 | C20 | C21 | H21 | 51.7° | 60.0° |
| H20 | C20 | C21 | H21A | 68.4° | 60.0° |
| H20A | C20 | C21 | H21 | 171.7° | NaN° |
| H20A | C20 | C21 | H21A | 51.7° | 60.0° |
| H21 | C21 | C22 | H22 | 43.3° | 60.0° |
| H21 | C21 | C22 | H22A | 163.3° | 180.0° |
| H21A | C21 | C22 | H22 | 76.7° | 60.0° |
| H21A | C21 | C22 | H22A | 43.3° | 60.0° |
| H22 | C22 | C23 | H23 | 49.0° | 60.0° |
| H22 | C22 | C23 | H23A | 71.0° | 60.0° |
| H22A | C22 | C23 | H23 | 169.0° | 180.0° |
| H22A | C22 | C23 | H23A | 49.0° | 60.0° |
| H23 | C23 | C24 | H24 | 177.9° | 180.0° |
| H23 | C23 | C24 | H24A | 62.0° | 60.0° |
| H23A | C23 | C24 | H24 | 62.1° | 60.0° |
| H23A | C23 | C24 | H24A | 58.0° | 60.0° |
