MT6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C10 | doub | 1.38Å | 1.35Å | Aromatic |
| C13 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.40Å | 1.36Å | Aromatic |
| O4 | C14 | sing | 1.35Å | 1.37Å | |
| O4 | C15 | sing | 1.45Å | 1.51Å | |
| C11 | C7 | doub | 1.40Å | 1.33Å | Aromatic |
| C9 | C14 | sing | 1.48Å | 1.45Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C7 | C8 | sing | 1.39Å | 1.27Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.42Å | |
| C6 | C5 | doub | 1.36Å | 1.42Å | Aromatic |
| C6 | O2 | sing | 1.35Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.46Å | 1.36Å | Aromatic |
| O2 | C12 | sing | 1.34Å | 1.24Å | Aromatic |
| C4 | C12 | doub | 1.40Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.41Å | 1.49Å | |
| O1 | C3 | doub | 1.22Å | 1.32Å | |
| C12 | C1 | sing | 1.41Å | 1.41Å | |
| C3 | N1 | sing | 1.35Å | 1.37Å | |
| N1 | C2 | sing | 1.36Å | 1.45Å | |
| C1 | C2 | doub | 1.35Å | 1.48Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C13 | C11 | 118.3° | 120.3° |
| C13 | C10 | C9 | 114.7° | 120.1° |
| C13 | C10 | H8 | 122.7° | 120.0° |
| C10 | C13 | H9 | 120.8° | 119.8° |
| C13 | C11 | C7 | 124.4° | 120.2° |
| C11 | C13 | H9 | 120.9° | 119.8° |
| C13 | C11 | H10 | 117.8° | 120.0° |
| C10 | C9 | C14 | 117.9° | 120.1° |
| C10 | C9 | C8 | 124.8° | 119.8° |
| C9 | C10 | H8 | 122.7° | 119.9° |
| C14 | O4 | C15 | 120.4° | 117.0° |
| O4 | C14 | C9 | 114.8° | 120.0° |
| O4 | C14 | O3 | 118.5° | 119.9° |
| O4 | C15 | H5 | 109.5° | 109.5° |
| O4 | C15 | H6 | 109.5° | 109.5° |
| O4 | C15 | H7 | 109.5° | 109.5° |
| C11 | C7 | C8 | 118.5° | 119.8° |
| C11 | C7 | C6 | 120.1° | 120.1° |
| C7 | C11 | H10 | 117.8° | 119.9° |
| C14 | C9 | C8 | 117.2° | 120.1° |
| C9 | C14 | O3 | 126.7° | 120.0° |
| C9 | C8 | C7 | 119.0° | 119.7° |
| C9 | C8 | H1 | 120.5° | 120.2° |
| C8 | C7 | C6 | 121.4° | 120.1° |
| C7 | C8 | H1 | 120.5° | 120.1° |
| C7 | C6 | C5 | 136.7° | 125.2° |
| C7 | C6 | O2 | 117.3° | 125.2° |
| C5 | C6 | O2 | 105.6° | 109.6° |
| C6 | C5 | C4 | 107.0° | 106.0° |
| C6 | C5 | H2 | 126.5° | 127.0° |
| C6 | O2 | C12 | 112.4° | 110.9° |
| C5 | C4 | C12 | 105.5° | 105.8° |
| C5 | C4 | C3 | 135.9° | 134.8° |
| C4 | C5 | H2 | 126.5° | 127.0° |
| O2 | C12 | C4 | 109.1° | 107.7° |
| O2 | C12 | C1 | 122.1° | 133.8° |
| C12 | C4 | C3 | 118.5° | 119.4° |
| C4 | C12 | C1 | 128.4° | 118.5° |
| C4 | C3 | O1 | 121.4° | 120.3° |
| C4 | C3 | N1 | 116.2° | 119.4° |
| O1 | C3 | N1 | 122.4° | 120.2° |
| C12 | C1 | C2 | 108.4° | 119.8° |
| C12 | C1 | H11 | 125.8° | 120.1° |
| C3 | N1 | C2 | 121.0° | 121.1° |
| C3 | N1 | H3 | 119.5° | 119.4° |
| N1 | C2 | C1 | 126.2° | 121.7° |
| C2 | N1 | H3 | 119.5° | 119.4° |
| N1 | C2 | H4 | 116.9° | 119.2° |
| C1 | C2 | H4 | 116.9° | 119.2° |
| C2 | C1 | H11 | 125.8° | 120.1° |
| H5 | C15 | H6 | 109.4° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.4° |
| H6 | C15 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C13 | C11 | H9 | 180.0° | 179.7° |
| C13 | C10 | C9 | H8 | 180.0° | 179.9° |
| C10 | C13 | C11 | C7 | 5.3° | 0.3° |
| C13 | C10 | C9 | C14 | 174.2° | 180.0° |
| C13 | C10 | C9 | C8 | 5.4° | 0.0° |
| C10 | C13 | C11 | H10 | 174.8° | 180.0° |
| C11 | C13 | C10 | C9 | 7.2° | 0.3° |
| C13 | C11 | C7 | H10 | 180.0° | 179.7° |
| C13 | C11 | C7 | C8 | 0.3° | 0.1° |
| C13 | C11 | C7 | C6 | 178.8° | 180.0° |
| C11 | C13 | C10 | H8 | 172.8° | 179.7° |
| C10 | C9 | C14 | O4 | 28.9° | 0.0° |
| C10 | C9 | C14 | C8 | 179.6° | 180.0° |
| C10 | C9 | C14 | O3 | 152.1° | 179.9° |
| C10 | C9 | C8 | C7 | 0.7° | 0.2° |
| C10 | C9 | C8 | H1 | 179.3° | 180.0° |
| C9 | C10 | C13 | H9 | 172.8° | 179.9° |
| O4 | C14 | C9 | O3 | 179.0° | 179.9° |
| O4 | C14 | C9 | C8 | 151.5° | 180.0° |
| C14 | O4 | C15 | H5 | 180.0° | 180.0° |
| C14 | O4 | C15 | H6 | 60.0° | 59.9° |
| C14 | O4 | C15 | H7 | 60.0° | 60.1° |
| C15 | O4 | C14 | C9 | 156.0° | 180.0° |
| C15 | O4 | C14 | O3 | 23.1° | 0.1° |
| O4 | C15 | H5 | H6 | 120.0° | 120.0° |
| O4 | C15 | H5 | H7 | 120.0° | 120.0° |
| O4 | C15 | H6 | H7 | 120.0° | 120.0° |
| C11 | C7 | C8 | C9 | 2.0° | 0.2° |
| C11 | C7 | C8 | C6 | 178.5° | 179.9° |
| C11 | C7 | C6 | C5 | 15.2° | 0.0° |
| C11 | C7 | C6 | O2 | 156.4° | 180.0° |
| C11 | C7 | C8 | H1 | 178.0° | 180.0° |
| C7 | C11 | C13 | H9 | 174.7° | 180.0° |
| C14 | C9 | C8 | C7 | 178.9° | 179.8° |
| C14 | C9 | C8 | H1 | 1.1° | 0.0° |
| C14 | C9 | C10 | H8 | 5.8° | 0.1° |
| C8 | C9 | C14 | O3 | 27.5° | 0.0° |
| C9 | C8 | C7 | H1 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 176.5° | 179.7° |
| C8 | C9 | C10 | H8 | 174.6° | 179.9° |
| C8 | C7 | C6 | C5 | 166.2° | 180.0° |
| C8 | C7 | C6 | O2 | 22.1° | 0.1° |
| C8 | C7 | C11 | H10 | 179.7° | 179.8° |
| C7 | C6 | C5 | O2 | 172.3° | 180.0° |
| C7 | C6 | C5 | C4 | 178.1° | 180.0° |
| C7 | C6 | O2 | C12 | 178.1° | 179.7° |
| C6 | C7 | C8 | H1 | 3.5° | 0.0° |
| C7 | C6 | C5 | H2 | 1.9° | 0.2° |
| C6 | C7 | C11 | H10 | 1.2° | 0.3° |
| C6 | C5 | C4 | H2 | 180.0° | 179.8° |
| C5 | C6 | O2 | C12 | 4.0° | 0.3° |
| C6 | C5 | C4 | C12 | 5.5° | 0.2° |
| C6 | C5 | C4 | C3 | 178.3° | 179.8° |
| O2 | C6 | C5 | C4 | 5.8° | 0.0° |
| C6 | O2 | C12 | C4 | 0.6° | 0.4° |
| C6 | O2 | C12 | C1 | 174.4° | 179.9° |
| O2 | C6 | C5 | H2 | 174.2° | 179.8° |
| C5 | C4 | C12 | O2 | 3.2° | 0.4° |
| C5 | C4 | C12 | C3 | 177.0° | 180.0° |
| C5 | C4 | C3 | O1 | 1.8° | 0.0° |
| C5 | C4 | C12 | C1 | 170.1° | 180.0° |
| C5 | C4 | C3 | N1 | 178.8° | 180.0° |
| O2 | C12 | C4 | C1 | 173.3° | 179.6° |
| O2 | C12 | C4 | C3 | 179.8° | 179.6° |
| O2 | C12 | C1 | C2 | 179.3° | 179.5° |
| O2 | C12 | C1 | H11 | 0.7° | 0.5° |
| C12 | C4 | C3 | O1 | 177.7° | 180.0° |
| C12 | C4 | C3 | N1 | 3.0° | 0.0° |
| C4 | C12 | C1 | C2 | 6.8° | 0.0° |
| C12 | C4 | C5 | H2 | 174.6° | 180.0° |
| C4 | C12 | C1 | H11 | 173.2° | 180.0° |
| C4 | C3 | O1 | N1 | 179.3° | 180.0° |
| C3 | C4 | C12 | C1 | 6.9° | 0.0° |
| C4 | C3 | N1 | C2 | 11.2° | 0.0° |
| C3 | C4 | C5 | H2 | 1.6° | 0.0° |
| C4 | C3 | N1 | H3 | 168.8° | 180.0° |
| O1 | C3 | N1 | C2 | 169.4° | 180.0° |
| O1 | C3 | N1 | H3 | 10.6° | 0.0° |
| C12 | C1 | C2 | N1 | 2.4° | 0.0° |
| C12 | C1 | C2 | H11 | 180.0° | 180.0° |
| C12 | C1 | C2 | H4 | 177.6° | 179.9° |
| C3 | N1 | C2 | H3 | 180.0° | 180.0° |
| C3 | N1 | C2 | C1 | 11.8° | 0.0° |
| C3 | N1 | C2 | H4 | 168.2° | 179.9° |
| N1 | C2 | C1 | H4 | 180.0° | 179.9° |
| N1 | C2 | C1 | H11 | 177.6° | 180.0° |
| C1 | C2 | N1 | H3 | 168.2° | 180.0° |
| H3 | N1 | C2 | H4 | 11.8° | 0.1° |
| H4 | C2 | C1 | H11 | 2.4° | 0.1° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C10 | C13 | H9 | 7.2° | 0.0° |
| H9 | C13 | C11 | H10 | 5.2° | 0.3° |
