EVO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | N2 | sing | 1.32Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C14 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.47Å | 1.45Å | |
| C7 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.46Å | |
| C3 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.39Å | |
| C9 | C8 | doub | 1.36Å | 1.45Å | |
| C8 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | C1 | sing | 1.34Å | 1.37Å | |
| C1 | O | doub | 1.22Å | 1.31Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C12 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C5 | C6 | C7 | 118.0° | 119.7° |
| C5 | C6 | H1 | 121.0° | 120.1° |
| C6 | C5 | H2 | 119.3° | 120.0° |
| C5 | C4 | C3 | 120.1° | 120.6° |
| C4 | C5 | H2 | 119.3° | 120.0° |
| C5 | C4 | H3 | 120.0° | 119.7° |
| C12 | C13 | N2 | 122.1° | 121.1° |
| C13 | C12 | C11 | 116.4° | 119.4° |
| C12 | C13 | H8 | 118.9° | 119.4° |
| C13 | C12 | H9 | 121.8° | 120.3° |
| C13 | N2 | C14 | 123.7° | 122.0° |
| N2 | C13 | H8 | 119.0° | 119.4° |
| C12 | C11 | C10 | 118.3° | 118.3° |
| C11 | C12 | H9 | 121.8° | 120.4° |
| C12 | C11 | H10 | 120.8° | 120.9° |
| C6 | C7 | C2 | 121.5° | 120.4° |
| C6 | C7 | C8 | 135.7° | 133.2° |
| C7 | C6 | H1 | 121.0° | 120.1° |
| C4 | C3 | C2 | 120.3° | 120.1° |
| C3 | C4 | H3 | 120.0° | 119.7° |
| C4 | C3 | H4 | 119.9° | 119.9° |
| N2 | C14 | C10 | 117.2° | 120.5° |
| N2 | C14 | H7 | 121.4° | 119.8° |
| C11 | C10 | C14 | 122.1° | 118.8° |
| C11 | C10 | C9 | 123.6° | 120.6° |
| C10 | C11 | H10 | 120.8° | 120.9° |
| C14 | C10 | C9 | 113.8° | 120.7° |
| C10 | C14 | H7 | 121.4° | 119.7° |
| C10 | C9 | C8 | 127.4° | 120.1° |
| C10 | C9 | H6 | 116.3° | 119.9° |
| C2 | C7 | C8 | 102.7° | 106.4° |
| C7 | C2 | C3 | 118.8° | 119.0° |
| C7 | C2 | N1 | 114.1° | 109.3° |
| C7 | C8 | C9 | 134.3° | 127.5° |
| C7 | C8 | C1 | 107.0° | 105.0° |
| C3 | C2 | N1 | 127.1° | 131.7° |
| C2 | C3 | H4 | 119.8° | 119.9° |
| C2 | N1 | C1 | 105.9° | 111.4° |
| C2 | N1 | H5 | 127.0° | 124.3° |
| C9 | C8 | C1 | 118.2° | 127.6° |
| C8 | C9 | H6 | 116.3° | 120.0° |
| C8 | C1 | N1 | 110.1° | 107.9° |
| C8 | C1 | O | 123.5° | 126.0° |
| N1 | C1 | O | 126.3° | 126.1° |
| C1 | N1 | H5 | 127.0° | 124.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 1.1° | 0.0° |
| C5 | C6 | C7 | C2 | 3.0° | 0.0° |
| C5 | C6 | C7 | C8 | 178.4° | 179.7° |
| C6 | C5 | C4 | H3 | 178.9° | 180.0° |
| C4 | C5 | C6 | C7 | 1.5° | 0.0° |
| C5 | C4 | C3 | H3 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.3° | 0.1° |
| C4 | C5 | C6 | H1 | 178.5° | 179.9° |
| C5 | C4 | C3 | H4 | 177.7° | 180.0° |
| C12 | C13 | N2 | H8 | 180.0° | 179.7° |
| C13 | C12 | C11 | H9 | 180.0° | 179.7° |
| C12 | C13 | N2 | C14 | 0.7° | 0.0° |
| C13 | C12 | C11 | C10 | 3.4° | 0.5° |
| C13 | C12 | C11 | H10 | 176.6° | 179.9° |
| N2 | C13 | C12 | C11 | 0.5° | 0.3° |
| C13 | N2 | C14 | C10 | 1.3° | 0.0° |
| C13 | N2 | C14 | H7 | 178.7° | 180.0° |
| N2 | C13 | C12 | H9 | 179.5° | 180.0° |
| C12 | C11 | C10 | H10 | 180.0° | 179.5° |
| C12 | C11 | C10 | C14 | 5.6° | 0.5° |
| C12 | C11 | C10 | C9 | 176.4° | 179.7° |
| C11 | C12 | C13 | H8 | 179.5° | 180.0° |
| C6 | C7 | C2 | C8 | 176.7° | 179.8° |
| C6 | C7 | C2 | C3 | 1.8° | 0.0° |
| C6 | C7 | C2 | N1 | 176.4° | 180.0° |
| C6 | C7 | C8 | C9 | 2.1° | 0.2° |
| C6 | C7 | C8 | C1 | 173.6° | 179.7° |
| C7 | C6 | C5 | H2 | 178.5° | 180.0° |
| C4 | C3 | C2 | C7 | 0.9° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | N1 | 178.8° | 180.0° |
| C3 | C4 | C5 | H2 | 178.9° | 180.0° |
| N2 | C14 | C10 | C11 | 4.5° | 0.3° |
| N2 | C14 | C10 | H7 | 180.0° | 179.9° |
| N2 | C14 | C10 | C9 | 176.1° | 179.9° |
| C14 | N2 | C13 | H8 | 179.4° | 179.7° |
| C11 | C10 | C14 | C9 | 171.6° | 179.7° |
| C11 | C10 | C9 | C8 | 23.1° | 44.1° |
| C11 | C10 | C9 | H6 | 156.9° | 135.9° |
| C11 | C10 | C14 | H7 | 175.5° | 179.8° |
| C10 | C11 | C12 | H9 | 176.5° | 179.8° |
| C14 | C10 | C9 | C8 | 165.4° | 136.1° |
| C14 | C10 | C9 | H6 | 14.6° | 43.9° |
| C14 | C10 | C11 | H10 | 174.4° | 179.9° |
| C10 | C9 | C8 | C7 | 13.9° | 10.3° |
| C10 | C9 | C8 | H6 | 180.0° | 180.0° |
| C10 | C9 | C8 | C1 | 175.3° | 169.8° |
| C9 | C10 | C14 | H7 | 3.9° | 0.0° |
| C9 | C10 | C11 | H10 | 3.6° | 0.2° |
| C7 | C2 | C3 | N1 | 178.0° | 180.0° |
| C2 | C7 | C8 | C9 | 173.8° | 180.0° |
| C2 | C7 | C8 | C1 | 2.3° | 0.0° |
| C7 | C2 | N1 | C1 | 2.0° | 0.5° |
| C2 | C7 | C6 | H1 | 177.0° | 179.9° |
| C7 | C2 | C3 | H4 | 179.2° | 180.0° |
| C7 | C2 | N1 | H5 | 178.0° | 180.0° |
| C8 | C7 | C2 | C3 | 178.5° | 179.7° |
| C8 | C7 | C2 | N1 | 0.3° | 0.3° |
| C7 | C8 | C9 | C1 | 170.7° | 180.0° |
| C7 | C8 | C1 | N1 | 3.8° | 0.2° |
| C7 | C8 | C1 | O | 177.1° | 179.9° |
| C8 | C7 | C6 | H1 | 1.6° | 0.2° |
| C7 | C8 | C9 | H6 | 166.1° | 169.8° |
| C3 | C2 | N1 | C1 | 176.1° | 179.6° |
| C2 | C3 | C4 | H3 | 177.7° | 180.0° |
| C3 | C2 | N1 | H5 | 3.9° | 0.0° |
| C2 | N1 | C1 | C8 | 3.5° | 0.4° |
| C2 | N1 | C1 | H5 | 180.0° | 179.6° |
| C2 | N1 | C1 | O | 177.4° | 179.8° |
| N1 | C2 | C3 | H4 | 1.2° | 0.0° |
| C9 | C8 | C1 | N1 | 176.8° | 179.8° |
| C9 | C8 | C1 | O | 4.0° | 0.0° |
| C8 | C1 | N1 | O | 179.2° | 179.8° |
| C8 | C1 | N1 | H5 | 176.6° | 180.0° |
| C1 | C8 | C9 | H6 | 4.7° | 10.2° |
| O | C1 | N1 | H5 | 2.6° | 0.2° |
| H1 | C6 | C5 | H2 | 1.5° | 0.1° |
| H2 | C5 | C4 | H3 | 1.1° | 0.0° |
| H3 | C4 | C3 | H4 | 2.3° | 0.0° |
| H8 | C13 | C12 | H9 | 0.5° | 0.3° |
| H9 | C12 | C11 | H10 | 3.5° | 0.2° |
