6YD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | N12 | sing | 1.40Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.35Å | 1.34Å | Aromatic |
| N12 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C14 | C10 | doub | 1.37Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| N22 | C21 | sing | 1.35Å | 1.33Å | |
| O23 | C21 | doub | 1.22Å | 1.25Å | |
| C10 | C06 | sing | 1.48Å | 1.48Å | |
| C21 | C19 | sing | 1.48Å | 1.47Å | |
| C06 | N05 | doub | 1.32Å | 1.34Å | Aromatic |
| C06 | C07 | sing | 1.40Å | 1.39Å | Aromatic |
| N05 | C04 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | N18 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C15 | sing | 1.42Å | 1.43Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| N18 | N17 | sing | 1.28Å | 1.36Å | Aromatic |
| N01 | C15 | sing | 1.40Å | 1.42Å | |
| N01 | C02 | sing | 1.35Å | 1.37Å | |
| C15 | C16 | doub | 1.36Å | 1.42Å | Aromatic |
| C04 | C02 | sing | 1.48Å | 1.51Å | |
| C04 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C02 | O03 | doub | 1.22Å | 1.23Å | |
| N17 | C16 | sing | 1.36Å | 1.34Å | Aromatic |
| N17 | C20 | sing | 1.46Å | 1.46Å | |
| N01 | H1 | sing | 0.97Å | 1.00Å | |
| C07 | H2 | sing | 1.08Å | 1.08Å | |
| C08 | H3 | sing | 1.08Å | 1.08Å | |
| C09 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| N22 | H11 | sing | 0.97Å | 1.00Å | |
| N22 | H12 | sing | 0.97Å | 1.00Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N13 | N12 | 122.2° | 125.9° |
| C24 | N13 | C14 | 127.2° | 125.9° |
| N13 | C24 | H13 | 109.5° | 109.5° |
| N13 | C24 | H14 | 109.5° | 109.5° |
| N13 | C24 | H15 | 109.5° | 109.5° |
| N12 | N13 | C14 | 110.6° | 108.2° |
| N13 | N12 | C11 | 104.3° | 108.6° |
| N13 | C14 | C10 | 108.6° | 107.6° |
| N13 | C14 | H6 | 125.7° | 126.2° |
| N12 | C11 | C10 | 112.2° | 108.0° |
| N12 | C11 | H5 | 123.9° | 126.0° |
| C14 | C10 | C11 | 104.3° | 107.6° |
| C14 | C10 | C06 | 125.5° | 126.2° |
| C10 | C14 | H6 | 125.7° | 126.2° |
| C11 | C10 | C06 | 130.1° | 126.2° |
| C10 | C11 | H5 | 123.9° | 125.9° |
| N22 | C21 | O23 | 123.2° | 120.0° |
| N22 | C21 | C19 | 116.7° | 120.1° |
| C21 | N22 | H11 | 120.0° | 120.0° |
| C21 | N22 | H12 | 120.0° | 120.0° |
| O23 | C21 | C19 | 120.1° | 120.0° |
| C10 | C06 | N05 | 115.7° | 119.7° |
| C10 | C06 | C07 | 121.3° | 119.6° |
| C21 | C19 | N18 | 121.2° | 126.4° |
| C21 | C19 | C15 | 126.0° | 126.5° |
| N05 | C06 | C07 | 123.0° | 120.7° |
| C06 | N05 | C04 | 117.8° | 121.5° |
| C06 | C07 | C08 | 118.5° | 119.3° |
| C06 | C07 | H2 | 120.7° | 120.4° |
| N05 | C04 | C02 | 117.6° | 119.7° |
| N05 | C04 | C09 | 122.7° | 120.7° |
| N18 | C19 | C15 | 112.8° | 107.0° |
| C19 | N18 | N17 | 104.2° | 110.3° |
| C19 | C15 | N01 | 126.4° | 127.2° |
| C19 | C15 | C16 | 102.1° | 105.4° |
| C07 | C08 | C09 | 119.3° | 118.6° |
| C08 | C07 | H2 | 120.8° | 120.3° |
| C07 | C08 | H3 | 120.3° | 120.7° |
| N18 | N17 | C16 | 113.4° | 110.2° |
| N18 | N17 | C20 | 119.1° | 124.9° |
| C15 | N01 | C02 | 122.6° | 120.0° |
| N01 | C15 | C16 | 131.5° | 127.3° |
| C15 | N01 | H1 | 118.7° | 120.0° |
| N01 | C02 | C04 | 116.7° | 120.0° |
| N01 | C02 | O03 | 122.0° | 120.0° |
| C02 | N01 | H1 | 118.7° | 120.0° |
| C15 | C16 | N17 | 107.4° | 107.0° |
| C15 | C16 | H7 | 126.3° | 126.5° |
| C02 | C04 | C09 | 119.3° | 119.7° |
| C04 | C02 | O03 | 121.0° | 120.0° |
| C04 | C09 | C08 | 118.7° | 119.3° |
| C04 | C09 | H4 | 120.6° | 120.4° |
| C09 | C08 | H3 | 120.3° | 120.7° |
| C08 | C09 | H4 | 120.7° | 120.3° |
| C16 | N17 | C20 | 127.5° | 124.9° |
| N17 | C16 | H7 | 126.3° | 126.5° |
| N17 | C20 | H8 | 109.5° | 109.5° |
| N17 | C20 | H9 | 109.5° | 109.5° |
| N17 | C20 | H10 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.4° | 109.5° |
| H8 | C20 | H10 | 109.5° | 109.4° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H11 | N22 | H12 | 120.0° | 120.0° |
| H13 | C24 | H14 | 109.4° | 109.4° |
| H13 | C24 | H15 | 109.5° | 109.5° |
| H14 | C24 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | N13 | N12 | C14 | 179.7° | 179.8° |
| C24 | N13 | N12 | C11 | 179.7° | 180.0° |
| C24 | N13 | C14 | C10 | 179.6° | 179.8° |
| C24 | N13 | C14 | H6 | 0.4° | 0.2° |
| N13 | C24 | H13 | H14 | 120.0° | 120.0° |
| N13 | C24 | H13 | H15 | 120.0° | 120.1° |
| N13 | C24 | H14 | H15 | 120.0° | 120.1° |
| N12 | N13 | C14 | C10 | 0.6° | 0.4° |
| N13 | N12 | C11 | C10 | 0.8° | 0.0° |
| N13 | N12 | C11 | H5 | 179.2° | 180.0° |
| N12 | N13 | C14 | H6 | 179.3° | 179.9° |
| N12 | N13 | C24 | H13 | 0.0° | 90.1° |
| N12 | N13 | C24 | H14 | 120.0° | 150.0° |
| N12 | N13 | C24 | H15 | 120.0° | 30.0° |
| C14 | N13 | N12 | C11 | 0.1° | 0.2° |
| N13 | C14 | C10 | H6 | 180.0° | 179.6° |
| N13 | C14 | C10 | C11 | 1.1° | 0.5° |
| N13 | C14 | C10 | C06 | 179.6° | 179.9° |
| C14 | N13 | C24 | H13 | 179.7° | 89.7° |
| C14 | N13 | C24 | H14 | 60.3° | 30.3° |
| C14 | N13 | C24 | H15 | 59.7° | 150.3° |
| N12 | C11 | C10 | C14 | 1.2° | 0.3° |
| N12 | C11 | C10 | H5 | 180.0° | 179.9° |
| N12 | C11 | C10 | C06 | 179.6° | 180.0° |
| C14 | C10 | C11 | C06 | 178.4° | 179.7° |
| C14 | C10 | C06 | N05 | 19.1° | 4.7° |
| C14 | C10 | C06 | C07 | 159.2° | 175.3° |
| C14 | C10 | C11 | H5 | 178.8° | 179.8° |
| C11 | C10 | C06 | N05 | 162.9° | 175.0° |
| C11 | C10 | C06 | C07 | 18.9° | 5.1° |
| C11 | C10 | C14 | H6 | 178.9° | 179.9° |
| N22 | C21 | O23 | C19 | 177.6° | 180.0° |
| N22 | C21 | C19 | N18 | 17.1° | 0.0° |
| N22 | C21 | C19 | C15 | 160.9° | 179.5° |
| C21 | N22 | H11 | H12 | 180.0° | 180.0° |
| O23 | C21 | C19 | N18 | 165.2° | 180.0° |
| O23 | C21 | C19 | C15 | 16.9° | 0.6° |
| O23 | C21 | N22 | H11 | 0.0° | 180.0° |
| O23 | C21 | N22 | H12 | 180.0° | 0.0° |
| C10 | C06 | N05 | C07 | 178.2° | 180.0° |
| C10 | C06 | N05 | C04 | 179.6° | 180.0° |
| C10 | C06 | C07 | C08 | 178.0° | 180.0° |
| C10 | C06 | C07 | H2 | 1.9° | 0.0° |
| C06 | C10 | C11 | H5 | 0.4° | 0.1° |
| C06 | C10 | C14 | H6 | 0.4° | 0.2° |
| C21 | C19 | N18 | C15 | 178.2° | 179.5° |
| C21 | C19 | N18 | N17 | 178.0° | 180.0° |
| C21 | C19 | C15 | N01 | 2.3° | 0.3° |
| C21 | C19 | C15 | C16 | 177.7° | 180.0° |
| C19 | C21 | N22 | H11 | 177.6° | 0.0° |
| C19 | C21 | N22 | H12 | 2.3° | 180.0° |
| N05 | C06 | C07 | C08 | 0.1° | 0.0° |
| C06 | N05 | C04 | C02 | 174.8° | 180.0° |
| C06 | N05 | C04 | C09 | 1.9° | 0.3° |
| N05 | C06 | C07 | H2 | 180.0° | 180.0° |
| C07 | C06 | N05 | C04 | 1.4° | 0.0° |
| C06 | C07 | C08 | H2 | 180.0° | 179.9° |
| C06 | C07 | C08 | C09 | 1.0° | 0.3° |
| C06 | C07 | C08 | H3 | 179.0° | 180.0° |
| N05 | C04 | C02 | N01 | 7.1° | 0.3° |
| N05 | C04 | C02 | C09 | 173.2° | 179.7° |
| N05 | C04 | C09 | C08 | 1.0° | 0.5° |
| N05 | C04 | C02 | O03 | 179.5° | 179.7° |
| N05 | C04 | C09 | H4 | 179.0° | 179.7° |
| N18 | C19 | C15 | N01 | 179.7° | 179.9° |
| N18 | C19 | C15 | C16 | 0.4° | 0.5° |
| C19 | N18 | N17 | C16 | 0.2° | 0.3° |
| C19 | N18 | N17 | C20 | 179.1° | 179.7° |
| C15 | C19 | N18 | N17 | 0.2° | 0.5° |
| C19 | C15 | N01 | C16 | 179.9° | 179.6° |
| C19 | C15 | N01 | C02 | 163.0° | 179.7° |
| C19 | C15 | C16 | N17 | 0.5° | 0.3° |
| C19 | C15 | N01 | H1 | 17.1° | 0.0° |
| C19 | C15 | C16 | H7 | 179.5° | 179.8° |
| C07 | C08 | C09 | C04 | 0.5° | 0.5° |
| C07 | C08 | C09 | H3 | 180.0° | 179.7° |
| C07 | C08 | C09 | H4 | 179.5° | 179.7° |
| N18 | N17 | C16 | C15 | 0.5° | 0.0° |
| N18 | N17 | C16 | C20 | 178.8° | 180.0° |
| N18 | N17 | C16 | H7 | 179.5° | 179.9° |
| N18 | N17 | C20 | H8 | 0.0° | 90.1° |
| N18 | N17 | C20 | H9 | 120.0° | 30.0° |
| N18 | N17 | C20 | H10 | 120.0° | 150.0° |
| C15 | N01 | C02 | H1 | 180.0° | 179.7° |
| C15 | N01 | C02 | C04 | 168.5° | 180.0° |
| C15 | N01 | C02 | O03 | 4.7° | 0.0° |
| N01 | C15 | C16 | N17 | 179.6° | 180.0° |
| N01 | C15 | C16 | H7 | 0.4° | 0.1° |
| C02 | N01 | C15 | C16 | 16.9° | 0.0° |
| N01 | C02 | C04 | O03 | 173.3° | 180.0° |
| N01 | C02 | C04 | C09 | 166.0° | 180.0° |
| C15 | C16 | N17 | H7 | 180.0° | 179.9° |
| C15 | C16 | N17 | C20 | 179.2° | 180.0° |
| C16 | C15 | N01 | H1 | 163.0° | 179.7° |
| C02 | C04 | C09 | C08 | 173.8° | 179.8° |
| C04 | C02 | N01 | H1 | 11.5° | 0.3° |
| C02 | C04 | C09 | H4 | 6.2° | 0.0° |
| C04 | C09 | C08 | H4 | 180.0° | 179.8° |
| C09 | C04 | C02 | O03 | 7.3° | 0.0° |
| C04 | C09 | C08 | H3 | 179.5° | 179.8° |
| C09 | C08 | C07 | H2 | 179.0° | 179.8° |
| O03 | C02 | N01 | H1 | 175.2° | 179.7° |
| C16 | N17 | C20 | H8 | 178.7° | 90.0° |
| C16 | N17 | C20 | H9 | 61.3° | 150.0° |
| C16 | N17 | C20 | H10 | 58.7° | 30.0° |
| C20 | N17 | C16 | H7 | 0.8° | 0.1° |
| N17 | C20 | H8 | H9 | 120.0° | 120.1° |
| N17 | C20 | H8 | H10 | 120.0° | 120.0° |
| N17 | C20 | H9 | H10 | 120.0° | 120.0° |
| H2 | C07 | C08 | H3 | 1.0° | 0.1° |
| H3 | C08 | C09 | H4 | 0.5° | 0.0° |
| H8 | C20 | H9 | H10 | 120.0° | 119.9° |
| H13 | C24 | H14 | H15 | 120.0° | 119.9° |
