1WL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C29 | doub | 1.30Å | 1.36Å | Aromatic |
| N30 | C31 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | N28 | sing | 1.35Å | 1.36Å | Aromatic |
| C31 | C27 | doub | 1.35Å | 1.37Å | Aromatic |
| N28 | C27 | sing | 1.37Å | 1.34Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.49Å | |
| C26 | C05 | sing | 1.53Å | 1.46Å | |
| C05 | C02 | sing | 1.51Å | 1.46Å | |
| C05 | N06 | sing | 1.47Å | 1.40Å | |
| C02 | O01 | doub | 1.21Å | 1.22Å | |
| C02 | N03 | sing | 1.35Å | 1.43Å | |
| N06 | C07 | sing | 1.35Å | 1.42Å | |
| N03 | O04 | sing | 1.42Å | 1.31Å | |
| O08 | C07 | doub | 1.22Å | 1.22Å | |
| C07 | C09 | sing | 1.48Å | 1.49Å | |
| C25 | C09 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.37Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.43Å | 1.48Å | |
| C13 | C14 | trip | 1.17Å | 1.20Å | |
| C14 | C15 | sing | 1.38Å | 1.48Å | |
| C15 | C16 | trip | 1.17Å | 1.20Å | |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.43Å | 1.48Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C23 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | N21 | sing | 1.39Å | 1.43Å | |
| C20 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| N03 | H1 | sing | 0.97Å | 1.00Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| N06 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.08Å | 1.08Å | |
| N21 | H9 | sing | 0.97Å | 1.00Å | |
| N21 | H10 | sing | 0.97Å | 1.00Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| N28 | H17 | sing | 0.97Å | 1.00Å | |
| C29 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N30 | C31 | 107.7° | 109.3° |
| N30 | C29 | N28 | 108.0° | 108.7° |
| N30 | C29 | H18 | 126.0° | 125.7° |
| N30 | C31 | C27 | 108.4° | 108.0° |
| N30 | C31 | H20 | 125.8° | 126.0° |
| C29 | N28 | C27 | 108.3° | 107.2° |
| C29 | N28 | H17 | 125.8° | 126.4° |
| N28 | C29 | H18 | 126.0° | 125.7° |
| C31 | C27 | N28 | 107.6° | 106.8° |
| C31 | C27 | C26 | 126.2° | 126.6° |
| C27 | C31 | H20 | 125.8° | 126.0° |
| N28 | C27 | C26 | 126.1° | 126.6° |
| C27 | N28 | H17 | 125.8° | 126.4° |
| C27 | C26 | C05 | 114.5° | 109.5° |
| C27 | C26 | H15 | 108.2° | 109.5° |
| C27 | C26 | H16 | 108.2° | 109.5° |
| C26 | C05 | C02 | 111.4° | 109.5° |
| C26 | C05 | N06 | 115.9° | 109.5° |
| C26 | C05 | H3 | 105.0° | 109.5° |
| C05 | C26 | H15 | 108.2° | 109.5° |
| C05 | C26 | H16 | 108.2° | 109.5° |
| C02 | C05 | N06 | 112.8° | 109.5° |
| C05 | C02 | O01 | 118.8° | 120.0° |
| C05 | C02 | N03 | 122.2° | 120.0° |
| C02 | C05 | H3 | 105.0° | 109.5° |
| C05 | N06 | C07 | 123.5° | 120.0° |
| N06 | C05 | H3 | 105.7° | 109.5° |
| C05 | N06 | H4 | 118.2° | 120.0° |
| O01 | C02 | N03 | 119.0° | 120.0° |
| C02 | N03 | O04 | 117.8° | 120.0° |
| C02 | N03 | H1 | 121.1° | 120.0° |
| N06 | C07 | O08 | 119.4° | 120.0° |
| N06 | C07 | C09 | 115.8° | 120.0° |
| C07 | N06 | H4 | 118.3° | 120.0° |
| O04 | N03 | H1 | 121.1° | 120.0° |
| N03 | O04 | H2 | 109.5° | 114.0° |
| O08 | C07 | C09 | 119.8° | 120.0° |
| C07 | C09 | C25 | 117.1° | 120.0° |
| C07 | C09 | C10 | 122.2° | 120.0° |
| C09 | C25 | C24 | 120.0° | 120.0° |
| C25 | C09 | C10 | 120.6° | 120.1° |
| C09 | C25 | H14 | 120.0° | 120.0° |
| C25 | C24 | C12 | 119.6° | 119.9° |
| C25 | C24 | H13 | 120.2° | 120.0° |
| C24 | C25 | H14 | 120.0° | 120.0° |
| C09 | C10 | C11 | 119.4° | 120.0° |
| C09 | C10 | H5 | 120.3° | 120.0° |
| C24 | C12 | C11 | 121.0° | 120.0° |
| C24 | C12 | C13 | 115.8° | 120.0° |
| C12 | C24 | H13 | 120.2° | 120.0° |
| C10 | C11 | C12 | 119.3° | 120.0° |
| C11 | C10 | H5 | 120.3° | 120.0° |
| C10 | C11 | H6 | 120.4° | 120.0° |
| C11 | C12 | C13 | 123.0° | 120.0° |
| C12 | C11 | H6 | 120.4° | 120.0° |
| C12 | C13 | C14 | 178.5° | 180.0° |
| C13 | C14 | C15 | 178.0° | 180.0° |
| C14 | C15 | C16 | 178.2° | 180.0° |
| C15 | C16 | C17 | 178.6° | 180.0° |
| C19 | C18 | C17 | 120.5° | 119.9° |
| C18 | C19 | C20 | 119.0° | 120.1° |
| C19 | C18 | H7 | 119.7° | 120.1° |
| C18 | C19 | H8 | 120.5° | 119.9° |
| C18 | C17 | C16 | 116.1° | 120.1° |
| C18 | C17 | C23 | 120.8° | 119.8° |
| C17 | C18 | H7 | 119.7° | 120.1° |
| C16 | C17 | C23 | 123.1° | 120.1° |
| C19 | C20 | N21 | 118.9° | 119.9° |
| C19 | C20 | C22 | 120.5° | 120.2° |
| C20 | C19 | H8 | 120.5° | 119.9° |
| C17 | C23 | C22 | 118.6° | 119.9° |
| C17 | C23 | H12 | 120.7° | 120.0° |
| N21 | C20 | C22 | 120.6° | 119.9° |
| C20 | N21 | H9 | 109.5° | 120.0° |
| C20 | N21 | H10 | 109.5° | 120.0° |
| C20 | C22 | C23 | 120.6° | 120.1° |
| C20 | C22 | H11 | 119.7° | 120.0° |
| C23 | C22 | H11 | 119.7° | 119.9° |
| C22 | C23 | H12 | 120.7° | 120.1° |
| H9 | N21 | H10 | 109.5° | 120.0° |
| H15 | C26 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N30 | C29 | N28 | H18 | 180.0° | 180.0° |
| C29 | N30 | C31 | C27 | 0.2° | 0.4° |
| N30 | C29 | N28 | C27 | 0.6° | 0.0° |
| N30 | C29 | N28 | H17 | 179.4° | 180.0° |
| C29 | N30 | C31 | H20 | 179.9° | 180.0° |
| C31 | N30 | C29 | N28 | 0.2° | 0.3° |
| N30 | C31 | C27 | H20 | 180.0° | 179.6° |
| N30 | C31 | C27 | N28 | 0.5° | 0.4° |
| N30 | C31 | C27 | C26 | 178.1° | 179.9° |
| C31 | N30 | C29 | H18 | 179.7° | 179.8° |
| C29 | N28 | C27 | C31 | 0.7° | 0.2° |
| C29 | N28 | C27 | H17 | 180.0° | 180.0° |
| C29 | N28 | C27 | C26 | 178.3° | 180.0° |
| C31 | C27 | N28 | C26 | 177.6° | 179.8° |
| C31 | C27 | C26 | C05 | 85.9° | 85.3° |
| C31 | C27 | C26 | H15 | 34.8° | 154.7° |
| C31 | C27 | C26 | H16 | 153.3° | 34.7° |
| C31 | C27 | N28 | H17 | 179.3° | 179.8° |
| N28 | C27 | C26 | C05 | 96.9° | 95.0° |
| N28 | C27 | C26 | H15 | 142.4° | 25.0° |
| N28 | C27 | C26 | H16 | 23.8° | 145.0° |
| C27 | N28 | C29 | H18 | 179.4° | 180.0° |
| N28 | C27 | C31 | H20 | 179.5° | 180.0° |
| C27 | C26 | C05 | H15 | 120.7° | 120.0° |
| C27 | C26 | C05 | H16 | 120.7° | 120.0° |
| C27 | C26 | C05 | C02 | 179.6° | 175.0° |
| C27 | C26 | C05 | N06 | 49.6° | 65.0° |
| C27 | C26 | C05 | H3 | 66.5° | 55.0° |
| C27 | C26 | H15 | H16 | 117.7° | 120.0° |
| C26 | C27 | N28 | H17 | 1.7° | 0.0° |
| C26 | C27 | C31 | H20 | 1.9° | 0.2° |
| C26 | C05 | C02 | N06 | 132.3° | 120.0° |
| C26 | C05 | C02 | H3 | 113.1° | 120.0° |
| C26 | C05 | N06 | H3 | 115.7° | 120.0° |
| C26 | C05 | C02 | O01 | 66.1° | 120.0° |
| C26 | C05 | C02 | N03 | 112.7° | 60.3° |
| C26 | C05 | N06 | C07 | 125.0° | 155.0° |
| C26 | C05 | N06 | H4 | 55.0° | 25.0° |
| C05 | C26 | H15 | H16 | 117.7° | 120.0° |
| C02 | C05 | N06 | H3 | 114.1° | 120.0° |
| C05 | C02 | O01 | N03 | 178.8° | 179.7° |
| C02 | C05 | N06 | C07 | 104.9° | 85.0° |
| C05 | C02 | N03 | O04 | 173.4° | 179.7° |
| C05 | C02 | N03 | H1 | 6.6° | 0.3° |
| C02 | C05 | N06 | H4 | 75.1° | 95.0° |
| C02 | C05 | C26 | H15 | 58.9° | 65.0° |
| C02 | C05 | C26 | H16 | 59.6° | 55.0° |
| N06 | C05 | C02 | O01 | 66.3° | 0.0° |
| N06 | C05 | C02 | N03 | 114.9° | 179.8° |
| C05 | N06 | C07 | H4 | 180.0° | 180.0° |
| C05 | N06 | C07 | O08 | 29.7° | 0.0° |
| C05 | N06 | C07 | C09 | 175.3° | 180.0° |
| N06 | C05 | C26 | H15 | 170.3° | 55.0° |
| N06 | C05 | C26 | H16 | 71.1° | 175.0° |
| O01 | C02 | N03 | O04 | 5.4° | 0.0° |
| O01 | C02 | N03 | H1 | 174.6° | 180.0° |
| O01 | C02 | C05 | H3 | 179.2° | 120.0° |
| C02 | N03 | O04 | H1 | 180.0° | 180.0° |
| C02 | N03 | O04 | H2 | 2.5° | 180.0° |
| N03 | C02 | C05 | H3 | 0.4° | 59.7° |
| N06 | C07 | O08 | C09 | 154.0° | 180.0° |
| N06 | C07 | C09 | C25 | 1.5° | 0.3° |
| N06 | C07 | C09 | C10 | 178.2° | 180.0° |
| C07 | N06 | C05 | H3 | 9.3° | 35.0° |
| O08 | C07 | C09 | C25 | 153.4° | 179.8° |
| O08 | C07 | C09 | C10 | 23.4° | 0.1° |
| O08 | C07 | N06 | H4 | 150.3° | 179.9° |
| C07 | C09 | C25 | C10 | 176.8° | 179.7° |
| C07 | C09 | C25 | C24 | 176.8° | 179.7° |
| C07 | C09 | C10 | C11 | 176.7° | 180.0° |
| C09 | C07 | N06 | H4 | 4.7° | 0.0° |
| C07 | C09 | C10 | H5 | 3.3° | 0.0° |
| C07 | C09 | C25 | H14 | 3.2° | 0.0° |
| C09 | C25 | C24 | H14 | 180.0° | 179.7° |
| C09 | C25 | C24 | C12 | 1.1° | 0.5° |
| C25 | C09 | C10 | C11 | 0.1° | 0.3° |
| C25 | C09 | C10 | H5 | 179.9° | 179.8° |
| C09 | C25 | C24 | H13 | 178.9° | 179.7° |
| C24 | C25 | C09 | C10 | 0.0° | 0.6° |
| C25 | C24 | C12 | H13 | 180.0° | 179.8° |
| C25 | C24 | C12 | C11 | 2.1° | 0.2° |
| C25 | C24 | C12 | C13 | 178.3° | 179.7° |
| C09 | C10 | C11 | H5 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 1.0° | 0.0° |
| C09 | C10 | C11 | H6 | 179.0° | 179.9° |
| C10 | C09 | C25 | H14 | 180.0° | 179.7° |
| C24 | C12 | C11 | C10 | 2.1° | 0.0° |
| C24 | C12 | C11 | C13 | 175.9° | 180.0° |
| C24 | C12 | C13 | C14 | 55.1° | 86.0° |
| C24 | C12 | C11 | H6 | 177.9° | 179.9° |
| C12 | C24 | C25 | H14 | 179.0° | 179.7° |
| C10 | C11 | C12 | H6 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 178.0° | 180.0° |
| C11 | C12 | C13 | C14 | 121.1° | 93.9° |
| C12 | C11 | C10 | H5 | 179.1° | 180.0° |
| C11 | C12 | C24 | H13 | 177.8° | 180.0° |
| C12 | C13 | C14 | C15 | 6.6° | 137.6° |
| C13 | C12 | C11 | H6 | 2.0° | 0.1° |
| C13 | C12 | C24 | H13 | 1.7° | 0.0° |
| C13 | C14 | C15 | C16 | 11.0° | 180.0° |
| C14 | C15 | C16 | C17 | 10.7° | 137.6° |
| C15 | C16 | C17 | C18 | 43.3° | 86.3° |
| C15 | C16 | C17 | C23 | 134.8° | 94.0° |
| C19 | C18 | C17 | H7 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 179.2° | 180.0° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C19 | C18 | C17 | C23 | 1.1° | 0.3° |
| C18 | C19 | C20 | N21 | 179.5° | 180.0° |
| C18 | C19 | C20 | C22 | 0.3° | 0.0° |
| C18 | C17 | C16 | C23 | 178.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.4° | 0.0° |
| C18 | C17 | C23 | C22 | 1.2° | 0.5° |
| C17 | C18 | C19 | H8 | 179.6° | 180.0° |
| C18 | C17 | C23 | H12 | 178.8° | 179.7° |
| C16 | C17 | C23 | C22 | 179.2° | 179.8° |
| C16 | C17 | C18 | H7 | 0.8° | 0.1° |
| C16 | C17 | C23 | H12 | 0.9° | 0.0° |
| C19 | C20 | N21 | C22 | 179.2° | 180.0° |
| C19 | C20 | C22 | C23 | 0.1° | 0.3° |
| C20 | C19 | C18 | H7 | 179.6° | 180.0° |
| C19 | C20 | N21 | H9 | 180.0° | 0.1° |
| C19 | C20 | N21 | H10 | 60.0° | 180.0° |
| C19 | C20 | C22 | H11 | 179.8° | 179.9° |
| C17 | C23 | C22 | C20 | 0.6° | 0.5° |
| C17 | C23 | C22 | H12 | 180.0° | 179.8° |
| C23 | C17 | C18 | H7 | 178.9° | 179.8° |
| C17 | C23 | C22 | H11 | 179.4° | 179.7° |
| N21 | C20 | C22 | C23 | 179.3° | 179.8° |
| N21 | C20 | C19 | H8 | 0.5° | 0.0° |
| C20 | N21 | H9 | H10 | 120.0° | 179.9° |
| N21 | C20 | C22 | H11 | 0.6° | 0.0° |
| C20 | C22 | C23 | H11 | 180.0° | 179.8° |
| C22 | C20 | C19 | H8 | 179.7° | 180.0° |
| C22 | C20 | N21 | H9 | 0.8° | 180.0° |
| C22 | C20 | N21 | H10 | 120.8° | 0.0° |
| C20 | C22 | C23 | H12 | 179.4° | 179.7° |
| H1 | N03 | O04 | H2 | 177.5° | 0.0° |
| H3 | C05 | N06 | H4 | 170.7° | 145.0° |
| H3 | C05 | C26 | H15 | 54.2° | 175.0° |
| H3 | C05 | C26 | H16 | 172.7° | 65.0° |
| H5 | C10 | C11 | H6 | 1.0° | 0.1° |
| H7 | C18 | C19 | H8 | 0.4° | 0.1° |
| H11 | C22 | C23 | H12 | 0.5° | 0.1° |
| H13 | C24 | C25 | H14 | 1.1° | 0.0° |
| H17 | N28 | C29 | H18 | 0.6° | 0.0° |
