7M5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| N28 | C29 | doub | 1.32Å | 1.35Å | Aromatic |
| N28 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
| N10 | C09 | doub | 1.32Å | 1.31Å | Aromatic |
| C11 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| C21 | C09 | sing | 1.48Å | 1.46Å | |
| C21 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.38Å | 1.35Å | Aromatic |
| C16 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C06 | sing | 1.46Å | 1.44Å | Aromatic |
| C20 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | N05 | sing | 1.39Å | 1.41Å | Aromatic |
| C06 | N05 | sing | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.33Å | Aromatic |
| N05 | C03 | sing | 1.36Å | 1.47Å | Aromatic |
| C07 | C02 | sing | 1.40Å | 1.49Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.52Å | Aromatic |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C16 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C29 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C12 | C11 | 118.8° | 120.0° |
| C12 | C14 | C16 | 120.1° | 120.4° |
| C14 | C12 | H1 | 120.6° | 120.0° |
| C12 | C14 | H2 | 119.9° | 119.8° |
| C12 | C11 | N10 | 118.9° | 119.9° |
| C12 | C11 | C20 | 119.4° | 119.3° |
| C11 | C12 | H1 | 120.6° | 120.0° |
| C29 | N28 | C26 | 116.6° | 121.9° |
| N28 | C29 | C21 | 123.0° | 120.6° |
| N28 | C29 | H6 | 118.5° | 119.7° |
| N28 | C26 | C24 | 123.6° | 121.1° |
| N28 | C26 | H7 | 118.2° | 119.5° |
| C14 | C16 | C18 | 120.0° | 120.4° |
| C16 | C14 | H2 | 120.0° | 119.8° |
| C14 | C16 | H3 | 120.0° | 119.8° |
| C29 | C21 | C09 | 122.2° | 120.5° |
| C29 | C21 | C22 | 118.1° | 118.9° |
| C21 | C29 | H6 | 118.5° | 119.7° |
| C26 | C24 | C22 | 119.0° | 119.3° |
| C24 | C26 | H7 | 118.2° | 119.5° |
| C26 | C24 | H8 | 120.5° | 120.4° |
| C11 | N10 | C09 | 119.5° | 121.4° |
| N10 | C11 | C20 | 121.7° | 120.8° |
| N10 | C09 | C21 | 115.5° | 120.1° |
| N10 | C09 | C06 | 123.9° | 120.0° |
| C11 | C20 | C18 | 120.3° | 119.9° |
| C11 | C20 | N05 | 117.3° | 119.9° |
| C09 | C21 | C22 | 119.5° | 120.6° |
| C21 | C09 | C06 | 120.1° | 120.0° |
| C21 | C22 | C24 | 119.6° | 118.3° |
| C21 | C22 | H5 | 120.2° | 120.8° |
| C24 | C22 | H5 | 120.2° | 120.9° |
| C22 | C24 | H8 | 120.5° | 120.3° |
| C16 | C18 | C20 | 118.6° | 120.0° |
| C18 | C16 | H3 | 120.0° | 119.8° |
| C16 | C18 | H4 | 120.7° | 120.0° |
| C09 | C06 | N05 | 116.2° | 119.2° |
| C09 | C06 | C07 | 134.7° | 133.2° |
| C18 | C20 | N05 | 122.3° | 120.2° |
| C20 | C18 | H4 | 120.7° | 120.0° |
| C20 | N05 | C06 | 121.1° | 118.7° |
| C20 | N05 | C03 | 129.2° | 132.9° |
| N05 | C06 | C07 | 108.9° | 107.7° |
| C06 | N05 | C03 | 109.6° | 108.4° |
| C06 | C07 | C02 | 113.5° | 107.1° |
| C06 | C07 | H9 | 123.3° | 126.5° |
| N05 | C03 | C02 | 105.6° | 108.9° |
| N05 | C03 | H11 | 127.2° | 125.5° |
| C07 | C02 | C03 | 102.3° | 107.9° |
| C02 | C07 | H9 | 123.3° | 126.4° |
| C07 | C02 | H10 | 128.9° | 126.0° |
| C03 | C02 | H10 | 128.8° | 126.1° |
| C02 | C03 | H11 | 127.2° | 125.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C12 | C11 | H1 | 180.0° | 180.0° |
| C12 | C14 | C16 | H2 | 180.0° | 179.9° |
| C14 | C12 | C11 | N10 | 174.8° | 179.7° |
| C14 | C12 | C11 | C20 | 4.8° | 0.0° |
| C12 | C14 | C16 | C18 | 20.2° | 0.0° |
| C12 | C14 | C16 | H3 | 159.8° | 179.9° |
| C11 | C12 | C14 | C16 | 14.3° | 0.0° |
| C12 | C11 | N10 | C20 | 179.6° | 179.7° |
| C12 | C11 | N10 | C09 | 177.5° | 179.8° |
| C12 | C11 | C20 | C18 | 1.0° | 0.0° |
| C12 | C11 | C20 | N05 | 178.7° | 180.0° |
| C11 | C12 | C14 | H2 | 165.6° | 180.0° |
| N28 | C29 | C21 | H6 | 180.0° | 180.0° |
| C29 | N28 | C26 | C24 | 0.3° | 0.3° |
| N28 | C29 | C21 | C09 | 176.3° | 180.0° |
| N28 | C29 | C21 | C22 | 1.1° | 0.2° |
| C29 | N28 | C26 | H7 | 179.7° | 180.0° |
| C26 | N28 | C29 | C21 | 0.1° | 0.0° |
| N28 | C26 | C24 | H7 | 180.0° | 179.7° |
| N28 | C26 | C24 | C22 | 2.0° | 0.3° |
| C26 | N28 | C29 | H6 | 179.9° | 179.9° |
| N28 | C26 | C24 | H8 | 178.0° | 180.0° |
| C14 | C16 | C18 | H3 | 180.0° | 179.9° |
| C14 | C16 | C18 | C20 | 16.0° | 0.0° |
| C16 | C14 | C12 | H1 | 165.6° | 180.0° |
| C14 | C16 | C18 | H4 | 164.0° | 180.0° |
| C29 | C21 | C09 | N10 | 57.0° | 29.9° |
| C29 | C21 | C09 | C22 | 175.1° | 179.7° |
| C29 | C21 | C22 | C24 | 2.8° | 0.2° |
| C29 | C21 | C09 | C06 | 130.8° | 149.5° |
| C29 | C21 | C22 | H5 | 177.1° | 179.7° |
| C26 | C24 | C22 | C21 | 3.2° | 0.0° |
| C26 | C24 | C22 | H8 | 180.0° | 179.8° |
| C26 | C24 | C22 | H5 | 176.7° | 179.9° |
| C11 | N10 | C09 | C21 | 176.0° | 179.7° |
| C11 | N10 | C09 | C06 | 4.2° | 0.3° |
| N10 | C11 | C20 | C18 | 178.6° | 179.7° |
| N10 | C11 | C20 | N05 | 0.8° | 0.3° |
| N10 | C11 | C12 | H1 | 5.2° | 0.3° |
| C09 | N10 | C11 | C20 | 2.1° | 0.1° |
| N10 | C09 | C21 | C06 | 172.2° | 179.4° |
| N10 | C09 | C21 | C22 | 118.0° | 149.8° |
| N10 | C09 | C06 | N05 | 4.9° | 0.6° |
| N10 | C09 | C06 | C07 | 179.7° | 179.4° |
| C11 | C20 | C18 | C16 | 6.5° | 0.1° |
| C11 | C20 | C18 | N05 | 177.6° | 180.0° |
| C11 | C20 | N05 | C06 | 1.7° | 0.0° |
| C11 | C20 | N05 | C03 | 179.8° | 180.0° |
| C20 | C11 | C12 | H1 | 175.2° | 180.0° |
| C11 | C20 | C18 | H4 | 173.5° | 180.0° |
| C09 | C21 | C22 | C24 | 178.1° | 180.0° |
| C21 | C09 | C06 | N05 | 176.3° | 180.0° |
| C21 | C09 | C06 | C07 | 8.2° | 0.0° |
| C09 | C21 | C22 | H5 | 1.9° | 0.0° |
| C09 | C21 | C29 | H6 | 3.7° | 0.1° |
| C21 | C22 | C24 | H5 | 180.0° | 179.9° |
| C22 | C21 | C09 | C06 | 54.1° | 30.7° |
| C22 | C21 | C29 | H6 | 178.9° | 179.8° |
| C21 | C22 | C24 | H8 | 176.8° | 179.8° |
| C22 | C24 | C26 | H7 | 178.0° | 180.0° |
| C16 | C18 | C20 | H4 | 180.0° | 180.0° |
| C16 | C18 | C20 | N05 | 175.9° | 180.0° |
| C18 | C16 | C14 | H2 | 159.8° | 179.9° |
| C09 | C06 | N05 | C20 | 3.5° | 0.4° |
| C09 | C06 | N05 | C07 | 176.6° | 180.0° |
| C09 | C06 | N05 | C03 | 177.8° | 179.6° |
| C09 | C06 | C07 | C02 | 179.0° | 180.0° |
| C09 | C06 | C07 | H9 | 1.0° | 0.0° |
| C18 | C20 | N05 | C06 | 179.3° | 180.0° |
| C18 | C20 | N05 | C03 | 2.2° | 0.1° |
| C20 | C18 | C16 | H3 | 164.0° | 180.0° |
| C20 | N05 | C06 | C03 | 178.8° | 180.0° |
| C20 | N05 | C06 | C07 | 179.9° | 179.6° |
| C20 | N05 | C03 | C02 | 177.4° | 179.3° |
| N05 | C20 | C18 | H4 | 4.1° | 0.0° |
| C20 | N05 | C03 | H11 | 2.6° | 0.1° |
| N05 | C06 | C07 | C02 | 3.3° | 0.0° |
| C06 | N05 | C03 | C02 | 1.3° | 0.7° |
| N05 | C06 | C07 | H9 | 176.7° | 180.0° |
| C06 | N05 | C03 | H11 | 178.7° | 180.0° |
| C07 | C06 | N05 | C03 | 1.2° | 0.4° |
| C06 | C07 | C02 | H9 | 180.0° | 180.0° |
| C06 | C07 | C02 | C03 | 3.9° | 0.5° |
| C06 | C07 | C02 | H10 | 176.1° | 179.9° |
| N05 | C03 | C02 | C07 | 2.9° | 0.7° |
| N05 | C03 | C02 | H11 | 180.0° | 179.3° |
| N05 | C03 | C02 | H10 | 177.1° | 179.8° |
| C07 | C02 | C03 | H10 | 180.0° | 179.5° |
| C07 | C02 | C03 | H11 | 177.1° | 180.0° |
| C03 | C02 | C07 | H9 | 176.0° | 179.6° |
| H1 | C12 | C14 | H2 | 14.4° | 0.0° |
| H2 | C14 | C16 | H3 | 20.2° | 0.0° |
| H3 | C16 | C18 | H4 | 16.0° | 0.1° |
| H5 | C22 | C24 | H8 | 3.3° | 0.3° |
| H7 | C26 | C24 | H8 | 2.0° | 0.3° |
| H9 | C07 | C02 | H10 | 4.0° | 0.1° |
| H10 | C02 | C03 | H11 | 2.9° | 0.5° |
