C4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C11 | sing | 1.40Å | 1.40Å | |
| N10 | C7 | sing | 1.41Å | 1.35Å | |
| C11 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.35Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.47Å | 1.42Å | Aromatic |
| C6 | N5 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C9 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N10 | C7 | 135.5° | 120.0° |
| N10 | C11 | C12 | 124.3° | 120.0° |
| N10 | C11 | C16 | 115.8° | 120.1° |
| C11 | N10 | HN10 | 112.3° | 120.0° |
| N10 | C7 | C6 | 131.2° | 126.6° |
| N10 | C7 | C8 | 119.7° | 126.6° |
| C7 | N10 | HN10 | 112.2° | 120.0° |
| C12 | C11 | C16 | 119.9° | 119.9° |
| C11 | C12 | C13 | 119.6° | 119.9° |
| C11 | C12 | H12 | 120.2° | 120.1° |
| C11 | C16 | C15 | 120.5° | 119.9° |
| C11 | C16 | H16 | 119.7° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C13 | C12 | H12 | 120.2° | 120.0° |
| C12 | C13 | H13 | 120.2° | 120.0° |
| C13 | C14 | C15 | 121.6° | 120.2° |
| C14 | C13 | H13 | 120.2° | 120.0° |
| C13 | C14 | H14 | 119.2° | 119.9° |
| C14 | C15 | C16 | 118.8° | 120.1° |
| C15 | C14 | H14 | 119.2° | 119.9° |
| C14 | C15 | H15 | 120.6° | 120.0° |
| C16 | C15 | H15 | 120.6° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C6 | C7 | C8 | 109.1° | 106.8° |
| C7 | C6 | N5 | 106.5° | 109.8° |
| C7 | C6 | H6 | 126.8° | 125.1° |
| C7 | C8 | C9 | 135.3° | 134.2° |
| C7 | C8 | C4 | 105.9° | 106.3° |
| C6 | N5 | C4 | 110.3° | 110.0° |
| N5 | C6 | H6 | 126.8° | 125.1° |
| C6 | N5 | HN5 | 124.8° | 124.9° |
| C9 | C8 | C4 | 118.8° | 119.5° |
| C8 | C9 | C1 | 117.2° | 118.0° |
| C8 | C9 | H9 | 121.4° | 121.0° |
| C8 | C4 | N5 | 108.2° | 107.1° |
| C8 | C4 | N3 | 126.2° | 119.8° |
| C9 | C1 | C2 | 118.1° | 119.4° |
| C1 | C9 | H9 | 121.4° | 121.0° |
| C9 | C1 | H1 | 120.9° | 120.3° |
| N5 | C4 | N3 | 125.6° | 133.1° |
| C4 | N5 | HN5 | 124.8° | 125.0° |
| C4 | N3 | C2 | 113.0° | 121.7° |
| N3 | C2 | C1 | 126.6° | 121.5° |
| N3 | C2 | H2 | 116.7° | 119.2° |
| C1 | C2 | H2 | 116.7° | 119.2° |
| C2 | C1 | H1 | 121.0° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N10 | C7 | HN10 | 180.0° | 179.6° |
| N10 | C11 | C12 | C16 | 179.6° | 179.7° |
| N10 | C11 | C12 | C13 | 179.7° | 180.0° |
| N10 | C11 | C16 | C15 | 179.9° | 179.7° |
| C11 | N10 | C7 | C6 | 10.2° | 6.7° |
| C11 | N10 | C7 | C8 | 169.6° | 173.6° |
| N10 | C11 | C12 | H12 | 0.3° | 0.0° |
| N10 | C11 | C16 | H16 | 0.1° | 0.0° |
| C7 | N10 | C11 | C12 | 17.8° | 36.0° |
| C7 | N10 | C11 | C16 | 162.6° | 144.4° |
| N10 | C7 | C6 | C8 | 179.8° | 179.8° |
| N10 | C7 | C6 | N5 | 179.6° | 180.0° |
| N10 | C7 | C8 | C9 | 0.2° | 0.1° |
| N10 | C7 | C8 | C4 | 179.6° | 180.0° |
| N10 | C7 | C6 | H6 | 0.5° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | C11 | C16 | C15 | 0.5° | 0.6° |
| C12 | C11 | N10 | HN10 | 162.2° | 144.4° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C12 | C11 | C16 | H16 | 179.5° | 179.7° |
| C16 | C11 | C12 | C13 | 0.1° | 0.3° |
| C11 | C16 | C15 | C14 | 0.9° | 0.6° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C16 | C11 | N10 | HN10 | 17.4° | 35.2° |
| C16 | C11 | C12 | H12 | 179.9° | 179.7° |
| C11 | C16 | C15 | H15 | 179.1° | 179.7° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | H14 | 179.5° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.9° | 0.3° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | H15 | 179.1° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C15 | C14 | C13 | H13 | 179.5° | 179.9° |
| C14 | C15 | C16 | H16 | 179.1° | 179.7° |
| C16 | C15 | C14 | H14 | 179.1° | 179.7° |
| C7 | C6 | N5 | H6 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 179.7° | 179.7° |
| C6 | C7 | C8 | C4 | 0.2° | 0.2° |
| C7 | C6 | N5 | C4 | 0.1° | 0.1° |
| C6 | C7 | N10 | HN10 | 169.8° | 172.9° |
| C7 | C6 | N5 | HN5 | 179.9° | 180.0° |
| C8 | C7 | C6 | N5 | 0.2° | 0.2° |
| C7 | C8 | C9 | C4 | 179.4° | 179.9° |
| C7 | C8 | C9 | C1 | 179.6° | 180.0° |
| C7 | C8 | C4 | N5 | 0.2° | 0.1° |
| C7 | C8 | C4 | N3 | 180.0° | 180.0° |
| C8 | C7 | N10 | HN10 | 10.4° | 6.8° |
| C8 | C7 | C6 | H6 | 179.7° | 179.8° |
| C7 | C8 | C9 | H9 | 0.4° | 0.0° |
| C6 | N5 | C4 | C8 | 0.0° | 0.0° |
| C6 | N5 | C4 | HN5 | 180.0° | 179.8° |
| C6 | N5 | C4 | N3 | 179.8° | 179.8° |
| C8 | C9 | C1 | H9 | 180.0° | 180.0° |
| C9 | C8 | C4 | N5 | 179.7° | 179.8° |
| C9 | C8 | C4 | N3 | 0.5° | 0.0° |
| C8 | C9 | C1 | C2 | 0.2° | 0.0° |
| C8 | C9 | C1 | H1 | 179.8° | 180.0° |
| C4 | C8 | C9 | C1 | 0.2° | 0.0° |
| C8 | C4 | N5 | N3 | 179.8° | 179.8° |
| C8 | C4 | N3 | C2 | 0.2° | 0.0° |
| C4 | C8 | C9 | H9 | 179.8° | 180.0° |
| C8 | C4 | N5 | HN5 | 180.0° | 179.8° |
| C9 | C1 | C2 | N3 | 0.5° | 0.0° |
| C9 | C1 | C2 | H1 | 180.0° | 180.0° |
| C9 | C1 | C2 | H2 | 179.5° | 180.0° |
| N5 | C4 | N3 | C2 | 180.0° | 179.8° |
| C4 | N5 | C6 | H6 | 179.9° | 179.9° |
| C4 | N3 | C2 | C1 | 0.3° | 0.0° |
| N3 | C4 | N5 | HN5 | 0.2° | 0.0° |
| C4 | N3 | C2 | H2 | 179.7° | 179.9° |
| N3 | C2 | C1 | H2 | 180.0° | 180.0° |
| N3 | C2 | C1 | H1 | 179.5° | 179.9° |
| C2 | C1 | C9 | H9 | 179.8° | 180.0° |
| H12 | C12 | C13 | H13 | 0.1° | 0.1° |
| H13 | C13 | C14 | H14 | 0.5° | 0.0° |
| H14 | C14 | C15 | H15 | 0.9° | 0.0° |
| H15 | C15 | C16 | H16 | 0.9° | 0.0° |
| H6 | C6 | N5 | HN5 | 0.1° | 0.1° |
| H9 | C9 | C1 | H1 | 0.2° | 0.0° |
| H2 | C2 | C1 | H1 | 0.5° | 0.1° |
