Y5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| N20 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| N20 | C02 | sing | 1.32Å | 1.35Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C02 | C03 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | N05 | sing | 1.39Å | 1.42Å | |
| N05 | C06 | sing | 1.35Å | 1.35Å | |
| O07 | C06 | doub | 1.22Å | 1.22Å | |
| C06 | C08 | sing | 1.48Å | 1.50Å | |
| C09 | C08 | doub | 1.40Å | 1.37Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | C16 | sing | 1.40Å | 1.39Å | Aromatic |
| O13 | N11 | doub | 1.22Å | 1.22Å | |
| N11 | C10 | sing | 1.48Å | 1.46Å | |
| N11 | O12 | sing | 1.22Å | 1.22Å | |
| C10 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | CL1 | sing | 1.74Å | 1.76Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.08Å | 1.08Å | |
| C09 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.08Å | 1.08Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| N05 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N20 | 116.5° | 119.6° |
| C01 | C02 | C03 | 121.5° | 119.6° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C01 | H4 | 109.5° | 109.4° |
| C19 | N20 | C02 | 118.9° | 121.9° |
| N20 | C19 | C18 | 122.6° | 120.8° |
| N20 | C19 | H9 | 118.7° | 119.6° |
| N20 | C02 | C03 | 122.0° | 120.8° |
| C19 | C18 | C04 | 118.8° | 119.1° |
| C19 | C18 | H8 | 120.6° | 120.5° |
| C18 | C19 | H9 | 118.7° | 119.6° |
| C02 | C03 | C04 | 118.5° | 119.1° |
| C02 | C03 | H5 | 120.7° | 120.4° |
| C18 | C04 | C03 | 119.2° | 118.3° |
| C18 | C04 | N05 | 118.9° | 120.9° |
| C04 | C18 | H8 | 120.6° | 120.4° |
| C03 | C04 | N05 | 121.9° | 120.8° |
| C04 | C03 | H5 | 120.7° | 120.5° |
| C04 | N05 | C06 | 129.5° | 120.1° |
| C04 | N05 | H10 | 115.3° | 119.9° |
| N05 | C06 | O07 | 123.8° | 120.0° |
| N05 | C06 | C08 | 115.4° | 120.0° |
| C06 | N05 | H10 | 115.2° | 120.0° |
| O07 | C06 | C08 | 120.7° | 120.0° |
| C06 | C08 | C09 | 120.4° | 120.1° |
| C06 | C08 | C16 | 121.3° | 120.2° |
| C08 | C09 | C10 | 119.9° | 119.9° |
| C09 | C08 | C16 | 118.1° | 119.7° |
| C08 | C09 | H6 | 120.0° | 120.0° |
| C09 | C10 | N11 | 118.7° | 119.9° |
| C09 | C10 | C14 | 122.3° | 120.2° |
| C10 | C09 | H6 | 120.0° | 120.1° |
| C08 | C16 | C15 | 121.5° | 119.8° |
| C08 | C16 | CL1 | 123.2° | 120.1° |
| O13 | N11 | C10 | 118.2° | 120.0° |
| O13 | N11 | O12 | 123.5° | 120.0° |
| C10 | N11 | O12 | 118.3° | 120.0° |
| N11 | C10 | C14 | 118.9° | 119.9° |
| C10 | C14 | C15 | 118.3° | 120.3° |
| C10 | C14 | H7 | 120.9° | 119.8° |
| C16 | C15 | C14 | 119.7° | 120.2° |
| C15 | C16 | CL1 | 113.8° | 120.2° |
| C16 | C15 | H1 | 120.1° | 119.9° |
| C14 | C15 | H1 | 120.1° | 119.9° |
| C15 | C14 | H7 | 120.9° | 119.9° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H4 | 109.5° | 109.4° |
| H3 | C01 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N20 | C19 | 179.9° | 180.0° |
| C01 | C02 | N20 | C03 | 179.5° | 179.9° |
| C01 | C02 | C03 | C04 | 179.5° | 180.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C02 | C01 | H2 | H4 | 120.0° | 119.9° |
| C02 | C01 | H3 | H4 | 120.0° | 120.0° |
| C01 | C02 | C03 | H5 | 0.5° | 0.1° |
| N20 | C19 | C18 | H9 | 180.0° | 179.9° |
| C19 | N20 | C02 | C03 | 0.4° | 0.1° |
| N20 | C19 | C18 | C04 | 0.2° | 0.0° |
| N20 | C19 | C18 | H8 | 179.8° | 180.0° |
| C02 | N20 | C19 | C18 | 0.1° | 0.0° |
| N20 | C02 | C03 | C04 | 1.0° | 0.1° |
| N20 | C02 | C01 | H2 | 0.0° | 89.9° |
| N20 | C02 | C01 | H3 | 120.0° | 150.0° |
| N20 | C02 | C01 | H4 | 120.0° | 30.0° |
| N20 | C02 | C03 | H5 | 179.0° | 180.0° |
| C02 | N20 | C19 | H9 | 180.0° | 180.0° |
| C19 | C18 | C04 | H8 | 180.0° | 180.0° |
| C19 | C18 | C04 | C03 | 0.9° | 0.0° |
| C19 | C18 | C04 | N05 | 179.7° | 180.0° |
| C02 | C03 | C04 | C18 | 1.3° | 0.0° |
| C02 | C03 | C04 | H5 | 180.0° | 180.0° |
| C02 | C03 | C04 | N05 | 179.9° | 180.0° |
| C03 | C02 | C01 | H2 | 179.5° | 90.0° |
| C03 | C02 | C01 | H3 | 60.5° | 30.1° |
| C03 | C02 | C01 | H4 | 59.5° | 150.1° |
| C18 | C04 | C03 | N05 | 178.8° | 180.0° |
| C18 | C04 | N05 | C06 | 173.8° | 147.5° |
| C18 | C04 | C03 | H5 | 178.7° | 180.0° |
| C04 | C18 | C19 | H9 | 179.8° | 180.0° |
| C18 | C04 | N05 | H10 | 6.2° | 32.6° |
| C03 | C04 | N05 | C06 | 5.0° | 32.5° |
| C03 | C04 | C18 | H8 | 179.1° | 180.0° |
| C03 | C04 | N05 | H10 | 175.0° | 147.5° |
| C04 | N05 | C06 | H10 | 180.0° | 180.0° |
| C04 | N05 | C06 | O07 | 0.0° | 5.3° |
| C04 | N05 | C06 | C08 | 176.2° | 174.7° |
| N05 | C04 | C03 | H5 | 0.1° | 0.0° |
| N05 | C04 | C18 | H8 | 0.3° | 0.0° |
| N05 | C06 | O07 | C08 | 176.0° | 179.9° |
| N05 | C06 | C08 | C09 | 21.5° | 0.1° |
| N05 | C06 | C08 | C16 | 153.2° | 180.0° |
| O07 | C06 | C08 | C09 | 154.8° | 180.0° |
| O07 | C06 | C08 | C16 | 30.5° | 0.1° |
| O07 | C06 | N05 | H10 | 180.0° | 174.7° |
| C06 | C08 | C09 | C16 | 174.9° | 179.9° |
| C06 | C08 | C09 | C10 | 179.0° | 180.0° |
| C06 | C08 | C16 | C15 | 178.3° | 180.0° |
| C06 | C08 | C16 | CL1 | 12.9° | 0.1° |
| C06 | C08 | C09 | H6 | 1.0° | 0.1° |
| C08 | C06 | N05 | H10 | 3.8° | 5.2° |
| C08 | C09 | C10 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 177.7° | 179.7° |
| C08 | C09 | C10 | C14 | 3.0° | 0.0° |
| C09 | C08 | C16 | C15 | 3.5° | 0.1° |
| C09 | C08 | C16 | CL1 | 161.9° | 180.0° |
| C10 | C09 | C08 | C16 | 4.2° | 0.0° |
| C09 | C10 | N11 | O13 | 0.9° | 0.3° |
| C09 | C10 | N11 | C14 | 179.3° | 179.7° |
| C09 | C10 | N11 | O12 | 179.8° | 179.7° |
| C09 | C10 | C14 | C15 | 0.9° | 0.0° |
| C09 | C10 | C14 | H7 | 179.0° | 180.0° |
| C08 | C16 | C15 | CL1 | 166.7° | 180.0° |
| C08 | C16 | C15 | C14 | 1.6° | 0.0° |
| C08 | C16 | C15 | H1 | 178.4° | 180.0° |
| C16 | C08 | C09 | H6 | 175.8° | 180.0° |
| O13 | N11 | C10 | O12 | 179.3° | 180.0° |
| O13 | N11 | C10 | C14 | 179.7° | 180.0° |
| N11 | C10 | C14 | C15 | 179.8° | 179.7° |
| N11 | C10 | C09 | H6 | 2.3° | 0.3° |
| N11 | C10 | C14 | H7 | 0.3° | 0.3° |
| O12 | N11 | C10 | C14 | 0.5° | 0.0° |
| C10 | C14 | C15 | C16 | 0.2° | 0.0° |
| C10 | C14 | C15 | H7 | 180.0° | 180.0° |
| C10 | C14 | C15 | H1 | 179.8° | 180.0° |
| C14 | C10 | C09 | H6 | 177.0° | 180.0° |
| C16 | C15 | C14 | H1 | 180.0° | 180.0° |
| C16 | C15 | C14 | H7 | 179.8° | 180.0° |
| C14 | C15 | C16 | CL1 | 165.1° | 180.0° |
| CL1 | C16 | C15 | H1 | 14.9° | 0.0° |
| H1 | C15 | C14 | H7 | 0.2° | 0.0° |
| H2 | C01 | H3 | H4 | 120.0° | 120.0° |
| H8 | C18 | C19 | H9 | 0.2° | 0.0° |
