6Y3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C09 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| SE07 | C08 | sing | 1.96Å | 1.96Å | |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.54Å | |
| O23 | C14 | doub | 1.22Å | 1.18Å | |
| C14 | N15 | sing | 1.35Å | 1.46Å | |
| N15 | C16 | sing | 1.40Å | 1.46Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.40Å | 1.47Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| SE07 | H2 | sing | 1.56Å | 1.46Å | |
| C09 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| N15 | H6 | sing | 0.97Å | 1.00Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| N20 | H9 | sing | 0.97Å | 1.00Å | |
| N20 | H10 | sing | 0.97Å | 1.00Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C09 | C08 | 120.6° | 120.1° |
| C09 | C10 | C11 | 119.7° | 120.3° |
| C09 | C10 | H1 | 120.1° | 119.8° |
| C10 | C09 | H3 | 119.7° | 119.9° |
| C09 | C08 | SE07 | 117.7° | 120.1° |
| C09 | C08 | C13 | 119.6° | 119.8° |
| C08 | C09 | H3 | 119.7° | 119.9° |
| SE07 | C08 | C13 | 122.6° | 120.1° |
| C08 | SE07 | H2 | 109.5° | 101.0° |
| C10 | C11 | C12 | 120.2° | 120.1° |
| C11 | C10 | H1 | 120.2° | 119.8° |
| C10 | C11 | H4 | 119.9° | 119.9° |
| C08 | C13 | C12 | 119.8° | 119.7° |
| C08 | C13 | C14 | 121.3° | 120.1° |
| C11 | C12 | C13 | 120.1° | 119.8° |
| C12 | C11 | H4 | 119.9° | 119.9° |
| C11 | C12 | H5 | 119.9° | 120.1° |
| C12 | C13 | C14 | 118.9° | 120.1° |
| C13 | C12 | H5 | 120.0° | 120.1° |
| C13 | C14 | O23 | 119.1° | 120.0° |
| C13 | C14 | N15 | 120.7° | 120.0° |
| O23 | C14 | N15 | 120.1° | 120.0° |
| C14 | N15 | C16 | 123.8° | 120.0° |
| C14 | N15 | H6 | 118.1° | 120.0° |
| N15 | C16 | C17 | 122.2° | 120.0° |
| N15 | C16 | C22 | 119.4° | 120.1° |
| C16 | N15 | H6 | 118.1° | 120.0° |
| C16 | C17 | C18 | 121.0° | 120.0° |
| C17 | C16 | C22 | 118.4° | 119.9° |
| C16 | C17 | H7 | 119.5° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C18 | C17 | H7 | 119.5° | 120.0° |
| C17 | C18 | H8 | 119.7° | 120.1° |
| C16 | C22 | C21 | 120.4° | 120.1° |
| C16 | C22 | H12 | 119.8° | 119.9° |
| C18 | C19 | C21 | 118.6° | 120.0° |
| C18 | C19 | N20 | 119.6° | 120.0° |
| C19 | C18 | H8 | 119.7° | 119.9° |
| C22 | C21 | C19 | 120.9° | 120.0° |
| C22 | C21 | H11 | 119.6° | 120.1° |
| C21 | C22 | H12 | 119.8° | 120.0° |
| C21 | C19 | N20 | 121.7° | 120.0° |
| C19 | C21 | H11 | 119.6° | 120.0° |
| C19 | N20 | H9 | 109.5° | 120.0° |
| C19 | N20 | H10 | 109.5° | 119.9° |
| H9 | N20 | H10 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C09 | C08 | H3 | 180.0° | 180.0° |
| C10 | C09 | C08 | SE07 | 179.6° | 179.7° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | C08 | C13 | 0.8° | 0.5° |
| C09 | C10 | C11 | C12 | 0.1° | 0.3° |
| C09 | C10 | C11 | H4 | 179.9° | 179.7° |
| C09 | C08 | SE07 | C13 | 178.7° | 179.2° |
| C08 | C09 | C10 | C11 | 0.4° | 0.0° |
| C09 | C08 | C13 | C12 | 0.9° | 0.7° |
| C09 | C08 | C13 | C14 | 179.5° | 180.0° |
| C08 | C09 | C10 | H1 | 179.6° | 179.7° |
| C09 | C08 | SE07 | H2 | 180.0° | 89.2° |
| SE07 | C08 | C13 | C12 | 179.7° | 180.0° |
| SE07 | C08 | C13 | C14 | 1.8° | 0.8° |
| SE07 | C08 | C09 | H3 | 0.4° | 0.2° |
| C10 | C11 | C12 | H4 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C11 | C10 | C09 | H3 | 179.6° | 179.9° |
| C10 | C11 | C12 | H5 | 179.8° | 180.0° |
| C08 | C13 | C12 | C11 | 0.6° | 0.5° |
| C08 | C13 | C12 | C14 | 178.6° | 179.3° |
| C08 | C13 | C14 | O23 | 14.0° | 0.0° |
| C08 | C13 | C14 | N15 | 168.0° | 179.9° |
| C13 | C08 | SE07 | H2 | 1.2° | 90.1° |
| C13 | C08 | C09 | H3 | 179.2° | 179.4° |
| C08 | C13 | C12 | H5 | 179.4° | 179.4° |
| C11 | C12 | C13 | H5 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.2° | 179.7° |
| C12 | C11 | C10 | H1 | 179.9° | 180.0° |
| C12 | C13 | C14 | O23 | 164.6° | 179.3° |
| C12 | C13 | C14 | N15 | 13.5° | 0.8° |
| C13 | C12 | C11 | H4 | 179.8° | 180.0° |
| C13 | C14 | O23 | N15 | 178.1° | 179.9° |
| C13 | C14 | N15 | C16 | 179.2° | 175.4° |
| C14 | C13 | C12 | H5 | 0.8° | 0.2° |
| C13 | C14 | N15 | H6 | 0.8° | 4.7° |
| O23 | C14 | N15 | C16 | 1.2° | 4.5° |
| O23 | C14 | N15 | H6 | 178.8° | 175.4° |
| C14 | N15 | C16 | H6 | 180.0° | 179.9° |
| C14 | N15 | C16 | C17 | 21.1° | 144.7° |
| C14 | N15 | C16 | C22 | 158.8° | 35.1° |
| N15 | C16 | C17 | C22 | 180.0° | 179.8° |
| N15 | C16 | C17 | C18 | 180.0° | 180.0° |
| N15 | C16 | C22 | C21 | 179.8° | 179.8° |
| N15 | C16 | C17 | H7 | 0.0° | 0.0° |
| N15 | C16 | C22 | H12 | 0.2° | 0.0° |
| C16 | C17 | C18 | H7 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C22 | C21 | 0.3° | 0.5° |
| C17 | C16 | N15 | H6 | 158.9° | 35.4° |
| C16 | C17 | C18 | H8 | 179.9° | 180.0° |
| C17 | C16 | C22 | H12 | 179.8° | 179.8° |
| C18 | C17 | C16 | C22 | 0.0° | 0.2° |
| C17 | C18 | C19 | H8 | 180.0° | 179.9° |
| C17 | C18 | C19 | C21 | 0.0° | 0.1° |
| C17 | C18 | C19 | N20 | 179.7° | 180.0° |
| C16 | C22 | C21 | H12 | 180.0° | 179.7° |
| C16 | C22 | C21 | C19 | 0.4° | 0.5° |
| C22 | C16 | N15 | H6 | 21.2° | 144.9° |
| C22 | C16 | C17 | H7 | 180.0° | 179.7° |
| C16 | C22 | C21 | H11 | 179.6° | 179.7° |
| C18 | C19 | C21 | C22 | 0.2° | 0.2° |
| C18 | C19 | C21 | N20 | 179.7° | 179.9° |
| C19 | C18 | C17 | H7 | 179.9° | 180.0° |
| C18 | C19 | N20 | H9 | 180.0° | 0.0° |
| C18 | C19 | N20 | H10 | 60.0° | 179.9° |
| C18 | C19 | C21 | H11 | 179.8° | 180.0° |
| C22 | C21 | C19 | H11 | 180.0° | 179.8° |
| C22 | C21 | C19 | N20 | 179.9° | 179.7° |
| C21 | C19 | C18 | H8 | 180.0° | 180.0° |
| C21 | C19 | N20 | H9 | 0.3° | 179.9° |
| C21 | C19 | N20 | H10 | 120.3° | 0.0° |
| C19 | C21 | C22 | H12 | 179.6° | 179.8° |
| N20 | C19 | C18 | H8 | 0.3° | 0.1° |
| C19 | N20 | H9 | H10 | 120.0° | 179.9° |
| N20 | C19 | C21 | H11 | 0.1° | 0.1° |
| H1 | C10 | C09 | H3 | 0.4° | 0.3° |
| H1 | C10 | C11 | H4 | 0.1° | 0.0° |
| H4 | C11 | C12 | H5 | 0.2° | 0.1° |
| H7 | C17 | C18 | H8 | 0.1° | 0.1° |
| H11 | C21 | C22 | H12 | 0.4° | 0.0° |
