N0E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| N1 | C10 | sing | 1.40Å | 1.40Å | |
| N1 | C9 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.47Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C13 | O2 | sing | 1.36Å | 1.36Å | |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O2 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.0° |
| C2 | C1 | H9 | 119.9° | 120.0° |
| C1 | C2 | H10 | 119.9° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C1 | C6 | H3 | 120.1° | 120.0° |
| C6 | C1 | H9 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| C3 | C2 | H10 | 119.9° | 120.0° |
| C2 | C3 | H11 | 119.9° | 120.0° |
| C14 | C15 | C10 | 119.7° | 120.0° |
| C15 | C14 | C13 | 120.1° | 120.0° |
| C14 | C15 | H8 | 120.1° | 120.0° |
| C15 | C14 | H14 | 120.0° | 119.9° |
| C15 | C10 | N1 | 119.3° | 120.0° |
| C15 | C10 | C11 | 120.3° | 120.0° |
| C10 | C15 | H8 | 120.2° | 120.0° |
| C10 | N1 | C9 | 127.5° | 120.0° |
| N1 | C10 | C11 | 120.4° | 120.0° |
| C10 | N1 | H1 | 116.3° | 120.1° |
| N1 | C9 | C8 | 113.2° | 120.0° |
| N1 | C9 | O1 | 123.2° | 120.0° |
| C9 | N1 | H1 | 116.2° | 119.9° |
| C6 | C5 | C4 | 120.6° | 120.1° |
| C6 | C5 | H2 | 119.7° | 120.0° |
| C5 | C6 | H3 | 120.1° | 120.0° |
| C9 | C8 | C7 | 111.8° | 109.5° |
| C8 | C9 | O1 | 123.6° | 120.0° |
| C9 | C8 | H6 | 108.9° | 109.5° |
| C9 | C8 | H7 | 108.9° | 109.4° |
| C8 | C7 | C4 | 117.0° | 109.5° |
| C8 | C7 | H4 | 107.6° | 109.5° |
| C8 | C7 | H5 | 107.6° | 109.5° |
| C7 | C8 | H6 | 108.9° | 109.5° |
| C7 | C8 | H7 | 108.9° | 109.5° |
| C14 | C13 | O2 | 120.0° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.0° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H12 | 119.9° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C3 | C4 | C7 | 120.2° | 120.0° |
| C4 | C3 | H11 | 119.9° | 120.0° |
| C5 | C4 | C7 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.7° | 120.0° |
| C4 | C7 | H4 | 107.6° | 109.5° |
| C4 | C7 | H5 | 107.5° | 109.5° |
| O2 | C13 | C12 | 119.8° | 120.0° |
| C13 | O2 | H15 | 109.5° | 113.9° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | H13 | 120.1° | 120.0° |
| C12 | C11 | H12 | 120.0° | 120.0° |
| C11 | C12 | H13 | 120.2° | 120.0° |
| H4 | C7 | H5 | 109.4° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H9 | 180.0° | 179.6° |
| C1 | C2 | C3 | H10 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 1.1° | 0.1° |
| C1 | C2 | C3 | C4 | 1.2° | 0.6° |
| C2 | C1 | C6 | H3 | 178.9° | 180.0° |
| C1 | C2 | C3 | H11 | 178.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.4° |
| C1 | C6 | C5 | H3 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 3.1° | 0.0° |
| C1 | C6 | C5 | H2 | 176.9° | 179.9° |
| C6 | C1 | C2 | H10 | 179.9° | 180.0° |
| C2 | C3 | C4 | H11 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 3.1° | 0.5° |
| C2 | C3 | C4 | C7 | 174.1° | 179.7° |
| C3 | C2 | C1 | H9 | 179.9° | 180.0° |
| C14 | C15 | C10 | H8 | 180.0° | 180.0° |
| C14 | C15 | C10 | N1 | 178.8° | 180.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | C15 | C10 | C11 | 1.4° | 0.2° |
| C15 | C14 | C13 | O2 | 179.9° | 180.0° |
| C15 | C14 | C13 | C12 | 0.3° | 0.3° |
| C15 | C10 | N1 | C11 | 177.4° | 179.8° |
| C15 | C10 | N1 | C9 | 131.9° | 146.4° |
| C10 | C15 | C14 | C13 | 0.7° | 0.1° |
| C15 | C10 | C11 | C12 | 1.1° | 0.2° |
| C15 | C10 | N1 | H1 | 48.1° | 33.2° |
| C15 | C10 | C11 | H12 | 178.9° | 179.7° |
| C10 | C15 | C14 | H14 | 179.4° | 180.0° |
| C10 | N1 | C9 | H1 | 180.0° | 179.7° |
| C10 | N1 | C9 | C8 | 174.7° | 174.7° |
| N1 | C10 | C11 | C12 | 178.5° | 180.0° |
| C10 | N1 | C9 | O1 | 5.5° | 5.2° |
| N1 | C10 | C15 | H8 | 1.2° | 0.0° |
| N1 | C10 | C11 | H12 | 1.5° | 0.1° |
| N1 | C9 | C8 | O1 | 179.8° | 180.0° |
| N1 | C9 | C8 | C7 | 173.6° | 180.0° |
| C9 | N1 | C10 | C11 | 50.7° | 33.4° |
| N1 | C9 | C8 | H6 | 66.1° | 60.0° |
| N1 | C9 | C8 | H7 | 53.2° | 60.0° |
| C6 | C5 | C4 | C3 | 4.1° | 0.2° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C7 | 175.1° | 180.0° |
| C5 | C6 | C1 | H9 | 178.9° | 179.7° |
| C9 | C8 | C7 | H6 | 120.3° | 120.0° |
| C9 | C8 | C7 | H7 | 120.3° | 120.0° |
| C9 | C8 | C7 | C4 | 170.9° | 180.0° |
| C8 | C9 | N1 | H1 | 5.3° | 5.6° |
| C9 | C8 | C7 | H4 | 68.0° | 59.9° |
| C9 | C8 | C7 | H5 | 49.8° | 60.0° |
| C9 | C8 | H6 | H7 | 118.9° | 120.0° |
| C8 | C7 | C4 | C3 | 99.2° | 89.8° |
| C8 | C7 | C4 | C5 | 90.0° | 90.0° |
| C8 | C7 | C4 | H4 | 121.1° | 120.1° |
| C8 | C7 | C4 | H5 | 121.1° | 120.0° |
| C7 | C8 | C9 | O1 | 6.2° | 0.0° |
| C8 | C7 | H4 | H5 | 116.6° | 120.0° |
| C7 | C8 | H6 | H7 | 119.0° | 120.0° |
| C14 | C13 | O2 | C12 | 179.6° | 179.7° |
| C14 | C13 | C12 | C11 | 0.6° | 0.3° |
| C13 | C14 | C15 | H8 | 179.3° | 179.9° |
| C14 | C13 | C12 | H13 | 179.4° | 179.9° |
| C14 | C13 | O2 | H15 | 180.0° | 90.3° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C11 | C10 | N1 | H1 | 129.3° | 146.9° |
| C11 | C10 | C15 | H8 | 178.6° | 179.8° |
| C10 | C11 | C12 | H13 | 179.9° | 179.8° |
| C3 | C4 | C5 | C7 | 171.0° | 179.8° |
| C3 | C4 | C5 | H2 | 175.9° | 179.7° |
| C3 | C4 | C7 | H4 | 139.7° | 30.3° |
| C3 | C4 | C7 | H5 | 21.9° | 150.2° |
| C4 | C3 | C2 | H10 | 178.9° | 179.8° |
| C4 | C5 | C6 | H3 | 176.8° | 179.9° |
| C5 | C4 | C7 | H4 | 31.1° | 149.9° |
| C5 | C4 | C7 | H5 | 148.9° | 30.0° |
| C5 | C4 | C3 | H11 | 176.9° | 179.9° |
| C7 | C4 | C5 | H2 | 4.9° | 0.1° |
| C4 | C7 | H4 | H5 | 116.5° | 120.0° |
| C4 | C7 | C8 | H6 | 50.6° | 60.0° |
| C4 | C7 | C8 | H7 | 68.8° | 60.0° |
| C7 | C4 | C3 | H11 | 5.9° | 0.3° |
| O2 | C13 | C12 | C11 | 179.9° | 179.9° |
| O2 | C13 | C12 | H13 | 0.1° | 0.3° |
| O2 | C13 | C14 | H14 | 0.1° | 0.1° |
| C13 | C12 | C11 | H13 | 180.0° | 179.8° |
| C13 | C12 | C11 | H12 | 179.9° | 179.9° |
| C12 | C13 | C14 | H14 | 179.7° | 179.7° |
| C12 | C13 | O2 | H15 | 0.4° | 90.1° |
| O1 | C9 | N1 | H1 | 174.5° | 174.4° |
| O1 | C9 | C8 | H6 | 114.1° | 120.0° |
| O1 | C9 | C8 | H7 | 126.6° | 120.0° |
| H2 | C5 | C6 | H3 | 3.2° | 0.0° |
| H3 | C6 | C1 | H9 | 1.1° | 0.4° |
| H4 | C7 | C8 | H6 | 171.7° | 180.0° |
| H4 | C7 | C8 | H7 | 52.3° | 60.0° |
| H5 | C7 | C8 | H6 | 70.5° | 60.0° |
| H5 | C7 | C8 | H7 | 170.1° | 179.9° |
| H8 | C15 | C14 | H14 | 0.7° | 0.0° |
| H9 | C1 | C2 | H10 | 0.1° | 0.3° |
| H10 | C2 | C3 | H11 | 1.1° | 0.3° |
| H12 | C11 | C12 | H13 | 0.1° | 0.3° |
