R2Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | C22 | sing | 1.43Å | 1.52Å | |
| C18 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | N23 | trip | 1.14Å | 1.13Å | |
| C16 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C06 | sing | 1.48Å | 1.51Å | |
| C07 | C06 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.36Å | 1.37Å | Aromatic |
| C06 | C05 | doub | 1.36Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.41Å | 1.37Å | Aromatic |
| C05 | N04 | sing | 1.36Å | 1.33Å | Aromatic |
| C09 | N04 | sing | 1.37Å | 1.34Å | Aromatic |
| C09 | N01 | doub | 1.32Å | 1.40Å | Aromatic |
| N04 | C03 | sing | 1.37Å | 1.27Å | Aromatic |
| N01 | C02 | sing | 1.34Å | 1.34Å | Aromatic |
| C03 | C02 | doub | 1.36Å | 1.33Å | Aromatic |
| C02 | C10 | sing | 1.48Å | 1.52Å | |
| C10 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | H151 | sing | 1.08Å | 1.08Å | |
| C05 | H171 | sing | 1.08Å | 1.08Å | |
| C07 | H101 | sing | 1.08Å | 1.08Å | |
| C08 | H111 | sing | 1.08Å | 1.08Å | |
| C11 | H191 | sing | 1.08Å | 1.08Å | |
| C12 | H201 | sing | 1.08Å | 1.08Å | |
| C13 | H211 | sing | 1.08Å | 1.08Å | |
| C14 | H221 | sing | 1.08Å | 1.08Å | |
| C15 | H231 | sing | 1.08Å | 1.08Å | |
| C17 | H081 | sing | 1.08Å | 1.08Å | |
| C19 | H041 | sing | 1.08Å | 1.08Å | |
| C20 | H051 | sing | 1.08Å | 1.08Å | |
| C21 | H061 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 119.9° | 120.3° |
| C20 | C19 | C18 | 119.5° | 120.1° |
| C20 | C19 | H041 | 120.2° | 120.0° |
| C19 | C20 | H051 | 120.1° | 119.8° |
| C20 | C21 | C16 | 119.9° | 120.2° |
| C21 | C20 | H051 | 120.1° | 119.9° |
| C20 | C21 | H061 | 120.1° | 119.9° |
| C19 | C18 | C22 | 121.0° | 120.1° |
| C19 | C18 | C17 | 120.7° | 119.8° |
| C18 | C19 | H041 | 120.2° | 119.9° |
| C21 | C16 | C17 | 120.9° | 119.9° |
| C21 | C16 | C06 | 118.7° | 120.1° |
| C16 | C21 | H061 | 120.1° | 119.9° |
| C22 | C18 | C17 | 118.3° | 120.1° |
| C18 | C22 | N23 | 179.3° | 180.0° |
| C18 | C17 | C16 | 119.2° | 119.8° |
| C18 | C17 | H081 | 120.4° | 120.1° |
| C17 | C16 | C06 | 120.3° | 120.1° |
| C16 | C17 | H081 | 120.4° | 120.1° |
| C16 | C06 | C07 | 116.1° | 120.0° |
| C16 | C06 | C05 | 123.6° | 120.0° |
| C06 | C07 | C08 | 120.2° | 119.6° |
| C07 | C06 | C05 | 120.3° | 120.1° |
| C06 | C07 | H101 | 119.9° | 120.2° |
| C07 | C08 | C09 | 117.1° | 119.5° |
| C08 | C07 | H101 | 119.9° | 120.2° |
| C07 | C08 | H111 | 121.4° | 120.3° |
| C06 | C05 | N04 | 117.8° | 120.5° |
| C06 | C05 | H171 | 121.1° | 119.8° |
| C08 | C09 | N04 | 123.0° | 119.8° |
| C08 | C09 | N01 | 129.0° | 132.0° |
| C09 | C08 | H111 | 121.5° | 120.2° |
| C05 | N04 | C09 | 121.7° | 120.5° |
| C05 | N04 | C03 | 132.1° | 132.2° |
| N04 | C05 | H171 | 121.1° | 119.7° |
| N04 | C09 | N01 | 108.0° | 108.3° |
| C09 | N04 | C03 | 106.3° | 107.2° |
| C09 | N01 | C02 | 106.0° | 109.2° |
| N04 | C03 | C02 | 113.8° | 107.1° |
| N04 | C03 | H151 | 123.1° | 126.5° |
| N01 | C02 | C03 | 105.9° | 108.3° |
| N01 | C02 | C10 | 123.3° | 125.9° |
| C03 | C02 | C10 | 130.8° | 125.8° |
| C02 | C03 | H151 | 123.1° | 126.5° |
| C02 | C10 | C15 | 117.0° | 120.1° |
| C02 | C10 | C11 | 123.5° | 120.1° |
| C15 | C10 | C11 | 119.4° | 119.7° |
| C10 | C15 | C14 | 121.0° | 119.9° |
| C10 | C15 | H231 | 119.5° | 120.0° |
| C10 | C11 | C12 | 119.5° | 119.9° |
| C10 | C11 | H191 | 120.2° | 120.0° |
| C15 | C14 | C13 | 120.1° | 120.1° |
| C15 | C14 | H221 | 120.0° | 120.0° |
| C14 | C15 | H231 | 119.5° | 120.1° |
| C11 | C12 | C13 | 120.9° | 120.1° |
| C12 | C11 | H191 | 120.3° | 120.1° |
| C11 | C12 | H201 | 119.5° | 119.9° |
| C14 | C13 | C12 | 119.1° | 120.3° |
| C14 | C13 | H211 | 120.5° | 119.9° |
| C13 | C14 | H221 | 120.0° | 119.9° |
| C13 | C12 | H201 | 119.5° | 119.9° |
| C12 | C13 | H211 | 120.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H051 | 180.0° | 179.8° |
| C20 | C19 | C18 | H041 | 180.0° | 179.9° |
| C19 | C20 | C21 | C16 | 0.2° | 0.6° |
| C20 | C19 | C18 | C22 | 179.9° | 180.0° |
| C20 | C19 | C18 | C17 | 0.0° | 0.0° |
| C19 | C20 | C21 | H061 | 179.8° | 179.9° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| C20 | C21 | C16 | H061 | 180.0° | 179.4° |
| C20 | C21 | C16 | C17 | 0.3° | 0.6° |
| C20 | C21 | C16 | C06 | 179.1° | 179.7° |
| C21 | C20 | C19 | H041 | 179.9° | 179.7° |
| C19 | C18 | C22 | C17 | 179.9° | 180.0° |
| C19 | C18 | C22 | N23 | 14.1° | 97.2° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C19 | C18 | C17 | H081 | 179.9° | 180.0° |
| C18 | C19 | C20 | H051 | 179.9° | 179.9° |
| C21 | C16 | C17 | C18 | 0.3° | 0.3° |
| C21 | C16 | C17 | C06 | 179.4° | 179.7° |
| C21 | C16 | C06 | C07 | 50.3° | 114.7° |
| C21 | C16 | C06 | C05 | 130.3° | 65.3° |
| C21 | C16 | C17 | H081 | 179.7° | 179.7° |
| C16 | C21 | C20 | H051 | 179.8° | 179.6° |
| C22 | C18 | C17 | C16 | 179.8° | 180.0° |
| C22 | C18 | C17 | H081 | 0.2° | 0.0° |
| C22 | C18 | C19 | H041 | 0.1° | 0.1° |
| C17 | C18 | C22 | N23 | 165.8° | 82.8° |
| C18 | C17 | C16 | H081 | 180.0° | 180.0° |
| C18 | C17 | C16 | C06 | 179.1° | 180.0° |
| C17 | C18 | C19 | H041 | 179.9° | 180.0° |
| C17 | C16 | C06 | C07 | 129.1° | 65.0° |
| C17 | C16 | C06 | C05 | 50.3° | 115.0° |
| C17 | C16 | C21 | H061 | 179.7° | 179.9° |
| C16 | C06 | C07 | C05 | 179.4° | 179.9° |
| C16 | C06 | C07 | C08 | 179.9° | 180.0° |
| C16 | C06 | C05 | N04 | 180.0° | 180.0° |
| C16 | C06 | C05 | H171 | 0.0° | 0.1° |
| C16 | C06 | C07 | H101 | 0.1° | 0.1° |
| C06 | C16 | C17 | H081 | 0.8° | 0.0° |
| C06 | C16 | C21 | H061 | 0.8° | 0.3° |
| C06 | C07 | C08 | H101 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.0° |
| C07 | C06 | C05 | N04 | 0.6° | 0.0° |
| C07 | C06 | C05 | H171 | 179.4° | 180.0° |
| C06 | C07 | C08 | H111 | 179.7° | 180.0° |
| C08 | C07 | C06 | C05 | 0.7° | 0.0° |
| C07 | C08 | C09 | H111 | 180.0° | 180.0° |
| C07 | C08 | C09 | N04 | 0.0° | 0.0° |
| C07 | C08 | C09 | N01 | 179.9° | 180.0° |
| C06 | C05 | N04 | H171 | 180.0° | 179.9° |
| C06 | C05 | N04 | C09 | 0.3° | 0.0° |
| C06 | C05 | N04 | C03 | 179.6° | 180.0° |
| C05 | C06 | C07 | H101 | 179.3° | 180.0° |
| C08 | C09 | N04 | C05 | 0.0° | 0.0° |
| C08 | C09 | N04 | N01 | 180.0° | 180.0° |
| C08 | C09 | N04 | C03 | 179.9° | 180.0° |
| C08 | C09 | N01 | C02 | 179.8° | 179.8° |
| C09 | C08 | C07 | H101 | 179.7° | 180.0° |
| C05 | N04 | C09 | C03 | 179.9° | 180.0° |
| C05 | N04 | C09 | N01 | 179.9° | 180.0° |
| C05 | N04 | C03 | C02 | 179.7° | 179.9° |
| C05 | N04 | C03 | H151 | 0.3° | 0.1° |
| N04 | C09 | N01 | C02 | 0.2° | 0.2° |
| C09 | N04 | C03 | C02 | 0.1° | 0.2° |
| C09 | N04 | C03 | H151 | 179.8° | 179.9° |
| C09 | N04 | C05 | H171 | 179.7° | 180.0° |
| N04 | C09 | C08 | H111 | 180.0° | 180.0° |
| N01 | C09 | N04 | C03 | 0.0° | 0.0° |
| C09 | N01 | C02 | C03 | 0.3° | 0.3° |
| C09 | N01 | C02 | C10 | 179.8° | 180.0° |
| N01 | C09 | C08 | H111 | 0.1° | 0.0° |
| N04 | C03 | C02 | N01 | 0.3° | 0.3° |
| N04 | C03 | C02 | H151 | 180.0° | 180.0° |
| N04 | C03 | C02 | C10 | 179.8° | 180.0° |
| C03 | N04 | C05 | H171 | 0.5° | 0.1° |
| N01 | C02 | C03 | C10 | 179.9° | 179.7° |
| N01 | C02 | C10 | C15 | 27.4° | 0.4° |
| N01 | C02 | C10 | C11 | 150.0° | 179.4° |
| N01 | C02 | C03 | H151 | 179.7° | 179.8° |
| C03 | C02 | C10 | C15 | 152.5° | 180.0° |
| C03 | C02 | C10 | C11 | 30.1° | 0.2° |
| C02 | C10 | C15 | C11 | 177.5° | 179.8° |
| C02 | C10 | C15 | C14 | 178.9° | 179.7° |
| C02 | C10 | C11 | C12 | 178.6° | 180.0° |
| C10 | C02 | C03 | H151 | 0.2° | 0.0° |
| C02 | C10 | C11 | H191 | 1.4° | 0.0° |
| C02 | C10 | C15 | H231 | 1.1° | 0.1° |
| C10 | C15 | C14 | H231 | 180.0° | 179.8° |
| C15 | C10 | C11 | C12 | 1.3° | 0.2° |
| C10 | C15 | C14 | C13 | 0.7° | 0.5° |
| C15 | C10 | C11 | H191 | 178.7° | 179.8° |
| C10 | C15 | C14 | H221 | 179.3° | 179.7° |
| C11 | C10 | C15 | C14 | 1.4° | 0.5° |
| C10 | C11 | C12 | H191 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.1° |
| C10 | C11 | C12 | H201 | 179.5° | 180.0° |
| C11 | C10 | C15 | H231 | 178.6° | 179.7° |
| C15 | C14 | C13 | H221 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.1° | 0.2° |
| C15 | C14 | C13 | H211 | 179.9° | 179.8° |
| C11 | C12 | C13 | C14 | 0.2° | 0.1° |
| C11 | C12 | C13 | H201 | 180.0° | 180.0° |
| C11 | C12 | C13 | H211 | 179.8° | 179.9° |
| C14 | C13 | C12 | H211 | 180.0° | 180.0° |
| C14 | C13 | C12 | H201 | 179.8° | 180.0° |
| C13 | C14 | C15 | H231 | 179.3° | 179.7° |
| C13 | C12 | C11 | H191 | 179.5° | 179.9° |
| C12 | C13 | C14 | H221 | 179.9° | 180.0° |
| H101 | C07 | C08 | H111 | 0.3° | 0.0° |
| H191 | C11 | C12 | H201 | 0.5° | 0.0° |
| H201 | C12 | C13 | H211 | 0.2° | 0.0° |
| H211 | C13 | C14 | H221 | 0.1° | 0.0° |
| H221 | C14 | C15 | H231 | 0.7° | 0.1° |
| H041 | C19 | C20 | H051 | 0.1° | 0.1° |
| H051 | C20 | C21 | H061 | 0.2° | 0.3° |
