Y5O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | trip | 1.14Å | 1.14Å | |
| C02 | C03 | sing | 1.43Å | 1.45Å | |
| C03 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.39Å | Aromatic |
| N21 | C20 | sing | 1.31Å | 1.33Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.39Å | 1.39Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.41Å | |
| N07 | C08 | sing | 1.35Å | 1.36Å | |
| O09 | C08 | doub | 1.21Å | 1.23Å | |
| C08 | C10 | sing | 1.48Å | 1.50Å | |
| O14 | N13 | sing | 1.22Å | 1.22Å | |
| C11 | C10 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| N13 | C12 | sing | 1.48Å | 1.47Å | |
| N13 | O15 | doub | 1.22Å | 1.22Å | |
| C12 | C16 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C05 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| N07 | H8 | sing | 0.97Å | 1.00Å | |
| C18 | CL1 | sing | 1.74Å | 1.77Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 179.0° | 180.0° |
| C02 | C03 | N21 | 115.9° | 119.6° |
| C02 | C03 | C04 | 120.0° | 119.6° |
| N21 | C03 | C04 | 124.1° | 120.7° |
| C03 | N21 | C20 | 117.5° | 121.7° |
| C03 | C04 | C05 | 117.3° | 119.1° |
| C03 | C04 | H5 | 121.3° | 120.5° |
| N21 | C20 | C06 | 123.1° | 120.8° |
| N21 | C20 | H7 | 118.5° | 119.5° |
| C04 | C05 | C06 | 120.1° | 118.5° |
| C05 | C04 | H5 | 121.3° | 120.4° |
| C04 | C05 | H6 | 120.0° | 120.7° |
| C20 | C06 | C05 | 117.9° | 119.3° |
| C20 | C06 | N07 | 119.6° | 120.4° |
| C06 | C20 | H7 | 118.5° | 119.7° |
| C05 | C06 | N07 | 122.5° | 120.4° |
| C06 | C05 | H6 | 119.9° | 120.8° |
| C06 | N07 | C08 | 127.2° | 119.9° |
| C06 | N07 | H8 | 116.4° | 120.0° |
| N07 | C08 | O09 | 123.8° | 120.1° |
| N07 | C08 | C10 | 115.3° | 120.0° |
| C08 | N07 | H8 | 116.4° | 120.1° |
| O09 | C08 | C10 | 120.8° | 120.0° |
| C08 | C10 | C11 | 120.3° | 120.2° |
| C08 | C10 | C18 | 121.4° | 120.1° |
| O14 | N13 | C12 | 118.3° | 120.0° |
| O14 | N13 | O15 | 123.4° | 120.0° |
| C10 | C11 | C12 | 119.8° | 119.9° |
| C11 | C10 | C18 | 118.1° | 119.7° |
| C10 | C11 | H2 | 120.1° | 120.1° |
| C11 | C12 | N13 | 118.7° | 119.9° |
| C11 | C12 | C16 | 122.5° | 120.2° |
| C12 | C11 | H2 | 120.0° | 120.0° |
| C10 | C18 | C17 | 121.6° | 119.8° |
| C10 | C18 | CL1 | 123.3° | 120.1° |
| C12 | N13 | O15 | 118.3° | 120.0° |
| N13 | C12 | C16 | 118.8° | 119.9° |
| C12 | C16 | C17 | 118.2° | 120.3° |
| C12 | C16 | H1 | 120.9° | 119.9° |
| C18 | C17 | C16 | 119.7° | 120.2° |
| C18 | C17 | H3 | 120.1° | 119.9° |
| C17 | C18 | CL1 | 115.1° | 120.1° |
| C17 | C16 | H1 | 120.9° | 119.8° |
| C16 | C17 | H3 | 120.1° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | N21 | 89.0° | 80.4° |
| N01 | C02 | C03 | C04 | 90.0° | 99.8° |
| C02 | C03 | N21 | C04 | 179.0° | 179.8° |
| C02 | C03 | N21 | C20 | 179.5° | 179.7° |
| C02 | C03 | C04 | C05 | 179.4° | 179.9° |
| C02 | C03 | C04 | H5 | 0.6° | 0.0° |
| N21 | C03 | C04 | C05 | 0.4° | 0.2° |
| C03 | N21 | C20 | C06 | 0.0° | 0.6° |
| N21 | C03 | C04 | H5 | 179.6° | 179.8° |
| C03 | N21 | C20 | H7 | 179.9° | 179.8° |
| C04 | C03 | N21 | C20 | 0.5° | 0.5° |
| C03 | C04 | C05 | H5 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.1° |
| C03 | C04 | C05 | H6 | 179.9° | 180.0° |
| N21 | C20 | C06 | H7 | 180.0° | 179.7° |
| N21 | C20 | C06 | C05 | 0.4° | 0.3° |
| N21 | C20 | C06 | N07 | 179.8° | 179.8° |
| C04 | C05 | C06 | C20 | 0.5° | 0.0° |
| C04 | C05 | C06 | H6 | 180.0° | 180.0° |
| C04 | C05 | C06 | N07 | 179.7° | 179.9° |
| C20 | C06 | C05 | N07 | 179.8° | 179.9° |
| C20 | C06 | N07 | C08 | 179.3° | 147.2° |
| C20 | C06 | C05 | H6 | 179.5° | 179.9° |
| C20 | C06 | N07 | H8 | 0.7° | 32.8° |
| C05 | C06 | N07 | C08 | 0.5° | 32.9° |
| C06 | C05 | C04 | H5 | 180.0° | 180.0° |
| C05 | C06 | C20 | H7 | 179.6° | 180.0° |
| C05 | C06 | N07 | H8 | 179.5° | 147.1° |
| C06 | N07 | C08 | H8 | 180.0° | 180.0° |
| C06 | N07 | C08 | O09 | 3.2° | 5.3° |
| C06 | N07 | C08 | C10 | 179.7° | 174.8° |
| N07 | C06 | C05 | H6 | 0.3° | 0.1° |
| N07 | C06 | C20 | H7 | 0.2° | 0.1° |
| N07 | C08 | O09 | C10 | 176.3° | 179.9° |
| N07 | C08 | C10 | C11 | 24.2° | 0.1° |
| N07 | C08 | C10 | C18 | 149.8° | 180.0° |
| O09 | C08 | C10 | C11 | 152.4° | 180.0° |
| O09 | C08 | C10 | C18 | 33.6° | 0.1° |
| O09 | C08 | N07 | H8 | 176.8° | 174.7° |
| C08 | C10 | C11 | C18 | 174.2° | 179.9° |
| C08 | C10 | C11 | C12 | 178.7° | 179.9° |
| C08 | C10 | C18 | C17 | 178.1° | 179.9° |
| C08 | C10 | C11 | H2 | 1.3° | 0.0° |
| C10 | C08 | N07 | H8 | 0.3° | 5.2° |
| C08 | C10 | C18 | CL1 | 1.3° | 0.0° |
| O14 | N13 | C12 | C11 | 2.2° | 0.0° |
| O14 | N13 | C12 | O15 | 179.9° | 179.9° |
| O14 | N13 | C12 | C16 | 178.2° | 180.0° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C10 | C11 | C12 | N13 | 177.4° | 180.0° |
| C10 | C11 | C12 | C16 | 3.0° | 0.0° |
| C11 | C10 | C18 | C17 | 3.9° | 0.0° |
| C11 | C10 | C18 | CL1 | 172.8° | 179.9° |
| C12 | C11 | C10 | C18 | 4.5° | 0.0° |
| C11 | C12 | N13 | C16 | 179.6° | 180.0° |
| C11 | C12 | N13 | O15 | 178.0° | 180.0° |
| C11 | C12 | C16 | C17 | 0.7° | 0.0° |
| C11 | C12 | C16 | H1 | 179.3° | 179.8° |
| C10 | C18 | C17 | CL1 | 177.0° | 179.9° |
| C10 | C18 | C17 | C16 | 1.7° | 0.0° |
| C18 | C10 | C11 | H2 | 175.5° | 180.0° |
| C10 | C18 | C17 | H3 | 178.3° | 179.7° |
| N13 | C12 | C16 | C17 | 179.8° | 180.0° |
| N13 | C12 | C16 | H1 | 0.2° | 0.2° |
| N13 | C12 | C11 | H2 | 2.6° | 0.1° |
| O15 | N13 | C12 | C16 | 1.6° | 0.0° |
| C12 | C16 | C17 | C18 | 0.0° | 0.0° |
| C12 | C16 | C17 | H1 | 180.0° | 179.8° |
| C16 | C12 | C11 | H2 | 177.0° | 180.0° |
| C12 | C16 | C17 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | H1 | 180.0° | 179.7° |
| C16 | C17 | C18 | CL1 | 175.3° | 180.0° |
| H1 | C16 | C17 | H3 | 0.0° | 0.1° |
| H3 | C17 | C18 | CL1 | 4.6° | 0.4° |
| H5 | C04 | C05 | H6 | 0.0° | 0.0° |
