7AR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.37Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C04 | N12 | sing | 1.46Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.26Å | |
| C02 | O03 | sing | 1.34Å | 1.27Å | |
| O14 | C13 | doub | 1.21Å | 1.40Å | |
| N12 | C13 | sing | 1.35Å | 1.31Å | |
| N12 | C23 | sing | 1.35Å | 1.32Å | |
| C13 | C15 | sing | 1.48Å | 1.40Å | |
| O24 | C23 | doub | 1.21Å | 1.40Å | |
| C23 | C16 | sing | 1.48Å | 1.41Å | |
| C15 | C16 | doub | 1.41Å | 1.38Å | Aromatic |
| C15 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | CL2 | sing | 1.74Å | 1.78Å | |
| C18 | CL1 | sing | 1.74Å | 1.79Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| O03 | H4 | sing | 0.97Å | 0.95Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.08Å | 1.08Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 119.8° | 120.0° |
| C10 | C09 | C08 | 120.1° | 120.0° |
| C09 | C10 | H1 | 120.1° | 120.0° |
| C10 | C09 | H10 | 120.0° | 120.0° |
| C10 | C11 | C06 | 119.6° | 120.0° |
| C11 | C10 | H1 | 120.1° | 120.0° |
| C10 | C11 | H11 | 120.2° | 120.0° |
| C09 | C08 | C07 | 120.3° | 120.0° |
| C09 | C08 | H9 | 119.8° | 120.0° |
| C08 | C09 | H10 | 120.0° | 120.0° |
| C11 | C06 | C07 | 121.0° | 120.0° |
| C11 | C06 | C05 | 120.9° | 120.0° |
| C06 | C11 | H11 | 120.2° | 120.0° |
| C08 | C07 | C06 | 119.2° | 120.0° |
| C08 | C07 | H8 | 120.4° | 120.0° |
| C07 | C08 | H9 | 119.9° | 120.0° |
| C07 | C06 | C05 | 118.0° | 120.0° |
| C06 | C07 | H8 | 120.4° | 120.0° |
| C06 | C05 | C04 | 105.3° | 109.5° |
| C06 | C05 | H6 | 110.5° | 109.5° |
| C06 | C05 | H7 | 110.5° | 109.4° |
| C05 | C04 | C02 | 109.9° | 109.5° |
| C05 | C04 | N12 | 114.9° | 109.5° |
| C05 | C04 | H5 | 106.9° | 109.5° |
| C04 | C05 | H6 | 110.5° | 109.5° |
| C04 | C05 | H7 | 110.5° | 109.5° |
| C02 | C04 | N12 | 110.5° | 109.5° |
| C04 | C02 | O01 | 119.0° | 120.0° |
| C04 | C02 | O03 | 120.4° | 120.0° |
| C02 | C04 | H5 | 106.7° | 109.5° |
| C04 | N12 | C13 | 120.7° | 124.5° |
| C04 | N12 | C23 | 128.0° | 124.4° |
| N12 | C04 | H5 | 107.5° | 109.4° |
| O01 | C02 | O03 | 120.6° | 120.0° |
| C02 | O03 | H4 | 109.5° | 117.0° |
| O14 | C13 | N12 | 124.5° | 125.7° |
| O14 | C13 | C15 | 126.8° | 125.7° |
| C13 | N12 | C23 | 111.2° | 111.1° |
| N12 | C13 | C15 | 108.7° | 108.6° |
| N12 | C23 | O24 | 125.8° | 125.7° |
| N12 | C23 | C16 | 107.4° | 108.6° |
| C13 | C15 | C16 | 106.1° | 105.9° |
| C13 | C15 | C21 | 133.0° | 134.3° |
| O24 | C23 | C16 | 126.8° | 125.7° |
| C23 | C16 | C15 | 106.6° | 105.8° |
| C23 | C16 | C17 | 134.2° | 134.2° |
| C16 | C15 | C21 | 120.9° | 119.8° |
| C15 | C16 | C17 | 119.2° | 119.9° |
| C15 | C21 | C20 | 119.4° | 119.8° |
| C15 | C21 | H3 | 120.3° | 120.2° |
| C16 | C17 | C18 | 120.3° | 119.7° |
| C16 | C17 | H2 | 119.8° | 120.2° |
| C21 | C20 | C18 | 120.3° | 120.4° |
| C21 | C20 | CL2 | 120.4° | 119.8° |
| C20 | C21 | H3 | 120.3° | 120.1° |
| C17 | C18 | C20 | 119.9° | 120.4° |
| C17 | C18 | CL1 | 121.5° | 119.8° |
| C18 | C17 | H2 | 119.8° | 120.1° |
| C18 | C20 | CL2 | 119.3° | 119.8° |
| C20 | C18 | CL1 | 118.6° | 119.8° |
| H6 | C05 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | H10 | 180.0° | 179.9° |
| C09 | C10 | C11 | C06 | 0.5° | 0.1° |
| C10 | C09 | C08 | C07 | 0.1° | 0.1° |
| C10 | C09 | C08 | H9 | 179.9° | 180.0° |
| C09 | C10 | C11 | H11 | 179.5° | 180.0° |
| C11 | C10 | C09 | C08 | 0.7° | 0.1° |
| C10 | C11 | C06 | H11 | 180.0° | 180.0° |
| C10 | C11 | C06 | C07 | 0.5° | 0.1° |
| C10 | C11 | C06 | C05 | 177.9° | 180.0° |
| C11 | C10 | C09 | H10 | 179.3° | 180.0° |
| C09 | C08 | C07 | H9 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 1.1° | 0.1° |
| C08 | C09 | C10 | H1 | 179.3° | 179.7° |
| C09 | C08 | C07 | H8 | 179.0° | 180.0° |
| C11 | C06 | C07 | C08 | 1.3° | 0.1° |
| C11 | C06 | C07 | C05 | 177.5° | 179.9° |
| C11 | C06 | C05 | C04 | 155.8° | 89.9° |
| C06 | C11 | C10 | H1 | 179.5° | 179.7° |
| C11 | C06 | C05 | H6 | 84.8° | 150.0° |
| C11 | C06 | C05 | H7 | 36.5° | 30.1° |
| C11 | C06 | C07 | H8 | 178.8° | 180.0° |
| C08 | C07 | C06 | H8 | 180.0° | 179.9° |
| C08 | C07 | C06 | C05 | 178.8° | 180.0° |
| C07 | C08 | C09 | H10 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 26.7° | 90.0° |
| C07 | C06 | C05 | H6 | 92.7° | 30.1° |
| C07 | C06 | C05 | H7 | 146.0° | 150.0° |
| C06 | C07 | C08 | H9 | 178.9° | 180.0° |
| C07 | C06 | C11 | H11 | 179.5° | 180.0° |
| C06 | C05 | C04 | H6 | 119.4° | 120.0° |
| C06 | C05 | C04 | H7 | 119.3° | 120.0° |
| C06 | C05 | C04 | C02 | 144.9° | 175.0° |
| C06 | C05 | C04 | N12 | 89.7° | 65.0° |
| C06 | C05 | C04 | H5 | 29.4° | 55.0° |
| C06 | C05 | H6 | H7 | 121.9° | 119.9° |
| C05 | C06 | C07 | H8 | 1.2° | 0.1° |
| C05 | C06 | C11 | H11 | 2.1° | 0.1° |
| C05 | C04 | C02 | N12 | 127.9° | 120.1° |
| C05 | C04 | C02 | H5 | 115.5° | 120.0° |
| C05 | C04 | N12 | H5 | 118.8° | 120.0° |
| C05 | C04 | C02 | O01 | 114.1° | 120.0° |
| C05 | C04 | C02 | O03 | 65.9° | 59.9° |
| C05 | C04 | N12 | C13 | 129.2° | 120.0° |
| C05 | C04 | N12 | C23 | 52.8° | 60.3° |
| C04 | C05 | H6 | H7 | 121.9° | 120.0° |
| C02 | C04 | N12 | H5 | 116.1° | 120.0° |
| C04 | C02 | O01 | O03 | 180.0° | 179.9° |
| C02 | C04 | N12 | C13 | 105.7° | 120.0° |
| C02 | C04 | N12 | C23 | 72.3° | 59.7° |
| C04 | C02 | O03 | H4 | 180.0° | 180.0° |
| C02 | C04 | C05 | H6 | 95.8° | 55.0° |
| C02 | C04 | C05 | H7 | 25.5° | 65.0° |
| N12 | C04 | C02 | O01 | 118.0° | 0.1° |
| N12 | C04 | C02 | O03 | 62.0° | 180.0° |
| C04 | N12 | C13 | O14 | 1.9° | 0.2° |
| C04 | N12 | C13 | C23 | 178.3° | 179.7° |
| C04 | N12 | C13 | C15 | 178.4° | 179.8° |
| C04 | N12 | C23 | O24 | 2.4° | 0.3° |
| C04 | N12 | C23 | C16 | 178.3° | 179.8° |
| N12 | C04 | C05 | H6 | 29.6° | 175.0° |
| N12 | C04 | C05 | H7 | 150.9° | 55.0° |
| O01 | C02 | O03 | H4 | 0.0° | 0.1° |
| O01 | C02 | C04 | H5 | 1.4° | 120.0° |
| O03 | C02 | C04 | H5 | 178.6° | 60.1° |
| O14 | C13 | N12 | C15 | 179.6° | 180.0° |
| O14 | C13 | N12 | C23 | 179.8° | 180.0° |
| O14 | C13 | C15 | C16 | 179.7° | 180.0° |
| O14 | C13 | C15 | C21 | 0.3° | 0.0° |
| C13 | N12 | C23 | O24 | 179.4° | 180.0° |
| C13 | N12 | C23 | C16 | 0.2° | 0.0° |
| N12 | C13 | C15 | C16 | 0.0° | 0.0° |
| N12 | C13 | C15 | C21 | 179.9° | 180.0° |
| C13 | N12 | C04 | H5 | 10.4° | 0.0° |
| C23 | N12 | C13 | C15 | 0.1° | 0.0° |
| N12 | C23 | O24 | C16 | 179.1° | 180.0° |
| N12 | C23 | C16 | C15 | 0.2° | 0.0° |
| N12 | C23 | C16 | C17 | 180.0° | 179.9° |
| C23 | N12 | C04 | H5 | 171.6° | 179.7° |
| C13 | C15 | C16 | C23 | 0.1° | 0.0° |
| C13 | C15 | C16 | C21 | 180.0° | 180.0° |
| C13 | C15 | C16 | C17 | 180.0° | 179.9° |
| C13 | C15 | C21 | C20 | 179.9° | 180.0° |
| C13 | C15 | C21 | H3 | 0.1° | 0.0° |
| O24 | C23 | C16 | C15 | 179.4° | 180.0° |
| O24 | C23 | C16 | C17 | 0.8° | 0.1° |
| C23 | C16 | C15 | C17 | 179.9° | 179.9° |
| C23 | C16 | C15 | C21 | 179.9° | 180.0° |
| C23 | C16 | C17 | C18 | 179.9° | 179.9° |
| C23 | C16 | C17 | H2 | 0.1° | 0.0° |
| C16 | C15 | C21 | C20 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H2 | 179.8° | 179.9° |
| C16 | C15 | C21 | H3 | 179.9° | 180.0° |
| C21 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C21 | C20 | H3 | 180.0° | 179.9° |
| C15 | C21 | C20 | C18 | 0.1° | 0.0° |
| C15 | C21 | C20 | CL2 | 179.8° | 180.0° |
| C16 | C17 | C18 | H2 | 180.0° | 180.0° |
| C16 | C17 | C18 | C20 | 0.2° | 0.0° |
| C16 | C17 | C18 | CL1 | 179.9° | 180.0° |
| C21 | C20 | C18 | C17 | 0.1° | 0.0° |
| C21 | C20 | C18 | CL2 | 179.7° | 180.0° |
| C21 | C20 | C18 | CL1 | 179.9° | 180.0° |
| C17 | C18 | C20 | CL1 | 179.8° | 180.0° |
| C17 | C18 | C20 | CL2 | 179.6° | 180.0° |
| C20 | C18 | C17 | H2 | 179.8° | 180.0° |
| C18 | C20 | C21 | H3 | 180.0° | 179.9° |
| CL2 | C20 | C18 | CL1 | 0.2° | 0.0° |
| CL2 | C20 | C21 | H3 | 0.2° | 0.1° |
| CL1 | C18 | C17 | H2 | 0.1° | 0.0° |
| H1 | C10 | C09 | H10 | 0.7° | 0.3° |
| H1 | C10 | C11 | H11 | 0.5° | 0.3° |
| H5 | C04 | C05 | H6 | 148.8° | 65.0° |
| H5 | C04 | C05 | H7 | 89.9° | 175.0° |
| H8 | C07 | C08 | H9 | 1.0° | 0.0° |
| H9 | C08 | C09 | H10 | 0.1° | 0.0° |
