1WN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C32 | sing | 1.36Å | 1.37Å | |
| C32 | C31 | doub | 1.39Å | 1.41Å | Aromatic |
| C32 | C34 | sing | 1.39Å | 1.43Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| C35 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| O27 | C26 | sing | 1.43Å | 1.34Å | |
| C29 | C26 | sing | 1.51Å | 1.48Å | |
| C28 | C26 | sing | 1.53Å | 1.47Å | |
| C26 | C05 | sing | 1.53Å | 1.50Å | |
| C05 | C03 | sing | 1.51Å | 1.54Å | |
| C05 | N06 | sing | 1.46Å | 1.46Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| C03 | N02 | sing | 1.35Å | 1.44Å | |
| N06 | C07 | sing | 1.35Å | 1.44Å | |
| N02 | O01 | sing | 1.42Å | 1.27Å | |
| C07 | O08 | doub | 1.22Å | 1.19Å | |
| C07 | C09 | sing | 1.47Å | 1.50Å | |
| C10 | C09 | doub | 1.40Å | 1.37Å | Aromatic |
| C10 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C09 | C25 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | trip | 1.17Å | 1.19Å | |
| C14 | C15 | sing | 1.38Å | 1.46Å | |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | trip | 1.17Å | 1.15Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | N21 | sing | 1.39Å | 1.42Å | |
| C20 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| N02 | H2 | sing | 0.97Å | 1.00Å | |
| 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 | |
| O27 | H15 | sing | 0.97Å | 0.95Å | |
| C28 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| O33 | H21 | sing | 0.97Å | 0.95Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C32 | C31 | 118.0° | 120.1° |
| O33 | C32 | C34 | 120.9° | 120.1° |
| C32 | O33 | H21 | 109.5° | 114.0° |
| C31 | C32 | C34 | 121.0° | 119.8° |
| C32 | C31 | C30 | 117.0° | 120.0° |
| C32 | C31 | H20 | 121.5° | 120.0° |
| C32 | C34 | C35 | 120.5° | 120.0° |
| C32 | C34 | H22 | 119.7° | 120.0° |
| C31 | C30 | C29 | 123.5° | 120.0° |
| C31 | C30 | H19 | 118.2° | 120.0° |
| C30 | C31 | H20 | 121.5° | 120.0° |
| C34 | C35 | C29 | 118.7° | 120.0° |
| C35 | C34 | H22 | 119.8° | 120.0° |
| C34 | C35 | H23 | 120.6° | 120.0° |
| C30 | C29 | C35 | 118.2° | 120.2° |
| C30 | C29 | C26 | 123.8° | 119.9° |
| C29 | C30 | H19 | 118.2° | 120.0° |
| C35 | C29 | C26 | 117.3° | 119.9° |
| C29 | C35 | H23 | 120.7° | 120.0° |
| O27 | C26 | C29 | 105.2° | 109.5° |
| O27 | C26 | C28 | 103.6° | 109.5° |
| O27 | C26 | C05 | 111.9° | 109.5° |
| C26 | O27 | H15 | 109.5° | 114.0° |
| C29 | C26 | C28 | 112.0° | 109.4° |
| C29 | C26 | C05 | 114.0° | 109.5° |
| C28 | C26 | C05 | 109.7° | 109.5° |
| C26 | C28 | H16 | 109.5° | 109.4° |
| C26 | C28 | H17 | 109.4° | 109.5° |
| C26 | C28 | H18 | 109.5° | 109.5° |
| C26 | C05 | C03 | 113.8° | 109.5° |
| C26 | C05 | N06 | 109.7° | 109.5° |
| C26 | C05 | H3 | 109.1° | 109.5° |
| C03 | C05 | N06 | 105.7° | 109.4° |
| C05 | C03 | O04 | 119.0° | 120.0° |
| C05 | C03 | N02 | 120.2° | 120.0° |
| C03 | C05 | H3 | 108.7° | 109.4° |
| C05 | N06 | C07 | 121.9° | 120.0° |
| N06 | C05 | H3 | 109.8° | 109.5° |
| C05 | N06 | H4 | 119.1° | 120.0° |
| O04 | C03 | N02 | 120.9° | 120.0° |
| C03 | N02 | O01 | 123.7° | 120.0° |
| C03 | N02 | H2 | 118.1° | 120.0° |
| N06 | C07 | O08 | 123.4° | 120.0° |
| N06 | C07 | C09 | 117.8° | 120.0° |
| C07 | N06 | H4 | 119.1° | 120.0° |
| N02 | O01 | H1 | 109.5° | 114.0° |
| O01 | N02 | H2 | 118.1° | 120.0° |
| O08 | C07 | C09 | 117.2° | 120.0° |
| C07 | C09 | C10 | 119.7° | 120.0° |
| C07 | C09 | C25 | 118.2° | 120.0° |
| C09 | C10 | C11 | 120.1° | 120.1° |
| C10 | C09 | C25 | 121.6° | 120.0° |
| C09 | C10 | H5 | 119.9° | 120.0° |
| C10 | C11 | C12 | 117.9° | 119.9° |
| C11 | C10 | H5 | 119.9° | 119.9° |
| C10 | C11 | H6 | 121.0° | 120.1° |
| C09 | C25 | C24 | 118.0° | 120.1° |
| C09 | C25 | H14 | 121.0° | 120.0° |
| C11 | C12 | C24 | 120.9° | 120.0° |
| C11 | C12 | C13 | 115.5° | 120.0° |
| C12 | C11 | H6 | 121.1° | 120.0° |
| C25 | C24 | C12 | 119.7° | 120.0° |
| C25 | C24 | H13 | 120.1° | 120.1° |
| C24 | C25 | H14 | 121.0° | 120.0° |
| C24 | C12 | C13 | 122.7° | 120.1° |
| C12 | C24 | H13 | 120.1° | 120.0° |
| C12 | C13 | C14 | 178.5° | 179.9° |
| C13 | C14 | C15 | 177.6° | 179.9° |
| C14 | C15 | C16 | 177.4° | 180.0° |
| C19 | C18 | C17 | 121.4° | 119.9° |
| C18 | C19 | C20 | 114.9° | 120.1° |
| C19 | C18 | H7 | 119.3° | 120.1° |
| C18 | C19 | H8 | 122.6° | 119.9° |
| C18 | C17 | C16 | 113.4° | 120.1° |
| C18 | C17 | C23 | 122.7° | 119.8° |
| C17 | C18 | H7 | 119.3° | 120.1° |
| C15 | C16 | C17 | 178.3° | 180.0° |
| C19 | C20 | N21 | 116.7° | 119.9° |
| C19 | C20 | C22 | 123.5° | 120.2° |
| C20 | C19 | H8 | 122.6° | 120.0° |
| C16 | C17 | C23 | 123.2° | 120.1° |
| C17 | C23 | C22 | 116.5° | 120.0° |
| C17 | C23 | H12 | 121.7° | 120.0° |
| N21 | C20 | C22 | 119.8° | 119.9° |
| C20 | N21 | H9 | 109.5° | 120.0° |
| C20 | N21 | H10 | 109.5° | 120.0° |
| C20 | C22 | C23 | 120.1° | 120.1° |
| C20 | C22 | H11 | 120.0° | 120.0° |
| C23 | C22 | H11 | 119.9° | 120.0° |
| C22 | C23 | H12 | 121.7° | 120.0° |
| H9 | N21 | H10 | 109.5° | 119.9° |
| H16 | C28 | H17 | 109.5° | 109.5° |
| H16 | C28 | H18 | 109.4° | 109.4° |
| H17 | C28 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C32 | C31 | C34 | 175.7° | 180.0° |
| O33 | C32 | C31 | C30 | 177.2° | 180.0° |
| O33 | C32 | C34 | C35 | 175.1° | 179.7° |
| O33 | C32 | C31 | H20 | 2.8° | 0.0° |
| O33 | C32 | C34 | H22 | 4.9° | 0.0° |
| C32 | C31 | C30 | H20 | 180.0° | 179.9° |
| C31 | C32 | C34 | C35 | 9.4° | 0.3° |
| C32 | C31 | C30 | C29 | 3.5° | 0.0° |
| C32 | C31 | C30 | H19 | 176.5° | 180.0° |
| C31 | C32 | O33 | H21 | 180.0° | 90.1° |
| C31 | C32 | C34 | H22 | 170.6° | 180.0° |
| C34 | C32 | C31 | C30 | 1.5° | 0.0° |
| C32 | C34 | C35 | H22 | 180.0° | 179.7° |
| C32 | C34 | C35 | C29 | 12.0° | 0.6° |
| C34 | C32 | C31 | H20 | 178.5° | 179.9° |
| C34 | C32 | O33 | H21 | 4.3° | 90.0° |
| C32 | C34 | C35 | H23 | 168.0° | 180.0° |
| C31 | C30 | C29 | H19 | 180.0° | 180.0° |
| C31 | C30 | C29 | C35 | 0.8° | 0.3° |
| C31 | C30 | C29 | C26 | 170.1° | 180.0° |
| C34 | C35 | C29 | C30 | 7.0° | 0.6° |
| C34 | C35 | C29 | H23 | 180.0° | 179.4° |
| C34 | C35 | C29 | C26 | 178.4° | 179.7° |
| C30 | C29 | C35 | C26 | 171.5° | 179.7° |
| C30 | C29 | C26 | O27 | 122.2° | 0.9° |
| C30 | C29 | C26 | C28 | 10.4° | 120.8° |
| C30 | C29 | C26 | C05 | 114.9° | 119.2° |
| C29 | C30 | C31 | H20 | 176.5° | 179.9° |
| C30 | C29 | C35 | H23 | 173.0° | 180.0° |
| C35 | C29 | C26 | O27 | 48.8° | 179.4° |
| C35 | C29 | C26 | C28 | 160.6° | 59.5° |
| C35 | C29 | C26 | C05 | 74.1° | 60.5° |
| C35 | C29 | C30 | H19 | 179.2° | 179.7° |
| C29 | C35 | C34 | H22 | 168.0° | 179.7° |
| O27 | C26 | C29 | C28 | 111.8° | 120.0° |
| O27 | C26 | C29 | C05 | 122.9° | 120.1° |
| O27 | C26 | C28 | C05 | 119.6° | 120.1° |
| O27 | C26 | C05 | C03 | 54.6° | 57.5° |
| O27 | C26 | C05 | N06 | 172.7° | 62.5° |
| O27 | C26 | C05 | H3 | 67.0° | 177.4° |
| O27 | C26 | C28 | H16 | 180.0° | 60.1° |
| O27 | C26 | C28 | H17 | 60.0° | 60.0° |
| O27 | C26 | C28 | H18 | 60.0° | 180.0° |
| C29 | C26 | C28 | C05 | 127.6° | 120.0° |
| C29 | C26 | C05 | C03 | 173.8° | 62.6° |
| C29 | C26 | C05 | N06 | 68.1° | 177.5° |
| C29 | C26 | C05 | H3 | 52.2° | 57.4° |
| C29 | C26 | O27 | H15 | 180.0° | 60.0° |
| C29 | C26 | C28 | H16 | 67.2° | 180.0° |
| C29 | C26 | C28 | H17 | 172.8° | 60.0° |
| C29 | C26 | C28 | H18 | 52.8° | 60.0° |
| C26 | C29 | C30 | H19 | 9.9° | 0.0° |
| C26 | C29 | C35 | H23 | 1.5° | 0.3° |
| C28 | C26 | C05 | C03 | 59.7° | 177.5° |
| C28 | C26 | C05 | N06 | 58.4° | 57.5° |
| C28 | C26 | C05 | H3 | 178.7° | 62.5° |
| C28 | C26 | O27 | H15 | 62.3° | 180.0° |
| C26 | C28 | H16 | H17 | 120.0° | 120.0° |
| C26 | C28 | H16 | H18 | 120.0° | 120.0° |
| C26 | C28 | H17 | H18 | 120.0° | 120.0° |
| C26 | C05 | C03 | N06 | 120.4° | 120.0° |
| C26 | C05 | C03 | H3 | 121.8° | 120.0° |
| C26 | C05 | N06 | H3 | 119.9° | 120.1° |
| C26 | C05 | C03 | O04 | 61.7° | 92.4° |
| C26 | C05 | C03 | N02 | 117.3° | 87.6° |
| C26 | C05 | N06 | C07 | 149.2° | 155.0° |
| C26 | C05 | N06 | H4 | 30.8° | 25.0° |
| C05 | C26 | O27 | H15 | 55.7° | 60.0° |
| C05 | C26 | C28 | H16 | 60.5° | 60.0° |
| C05 | C26 | C28 | H17 | 59.6° | 180.0° |
| C05 | C26 | C28 | H18 | 179.6° | 59.9° |
| C03 | C05 | N06 | H3 | 117.0° | 119.9° |
| C05 | C03 | O04 | N02 | 179.0° | 180.0° |
| C03 | C05 | N06 | C07 | 87.8° | 85.0° |
| C05 | C03 | N02 | O01 | 161.3° | 174.9° |
| C05 | C03 | N02 | H2 | 18.8° | 5.1° |
| C03 | C05 | N06 | H4 | 92.2° | 95.0° |
| N06 | C05 | C03 | O04 | 58.8° | 27.6° |
| N06 | C05 | C03 | N02 | 122.2° | 152.4° |
| C05 | N06 | C07 | H4 | 180.0° | 180.0° |
| C05 | N06 | C07 | O08 | 9.3° | 0.0° |
| C05 | N06 | C07 | C09 | 174.5° | 180.0° |
| O04 | C03 | N02 | O01 | 17.7° | 5.1° |
| O04 | C03 | N02 | H2 | 162.3° | 174.9° |
| O04 | C03 | C05 | H3 | 176.5° | 147.5° |
| C03 | N02 | O01 | H2 | 180.0° | 180.0° |
| C03 | N02 | O01 | H1 | 7.9° | 179.9° |
| N02 | C03 | C05 | H3 | 4.5° | 32.4° |
| N06 | C07 | O08 | C09 | 165.3° | 180.0° |
| N06 | C07 | C09 | C10 | 26.0° | 0.3° |
| N06 | C07 | C09 | C25 | 161.8° | 180.0° |
| C07 | N06 | C05 | H3 | 29.2° | 34.9° |
| O08 | C07 | C09 | C10 | 167.9° | 179.7° |
| O08 | C07 | C09 | C25 | 4.3° | 0.0° |
| O08 | C07 | N06 | H4 | 170.7° | 179.9° |
| C07 | C09 | C10 | C25 | 171.9° | 179.7° |
| C07 | C09 | C10 | C11 | 177.5° | 180.0° |
| C07 | C09 | C25 | C24 | 177.0° | 179.7° |
| C09 | C07 | N06 | H4 | 5.5° | 0.0° |
| C07 | C09 | C10 | H5 | 2.5° | 0.0° |
| C07 | C09 | C25 | H14 | 3.0° | 0.0° |
| C09 | C10 | C11 | H5 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 9.8° | 0.0° |
| C10 | C09 | C25 | C24 | 5.0° | 0.6° |
| C09 | C10 | C11 | H6 | 170.2° | 180.0° |
| C10 | C09 | C25 | H14 | 175.1° | 179.7° |
| C11 | C10 | C09 | C25 | 5.6° | 0.3° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C24 | 13.8° | 0.0° |
| C10 | C11 | C12 | C13 | 176.9° | 180.0° |
| C09 | C25 | C24 | H14 | 180.0° | 179.7° |
| C09 | C25 | C24 | C12 | 8.8° | 0.5° |
| C25 | C09 | C10 | H5 | 174.4° | 179.7° |
| C09 | C25 | C24 | H13 | 171.2° | 179.7° |
| C11 | C12 | C24 | C25 | 13.5° | 0.3° |
| C11 | C12 | C24 | C13 | 168.5° | 180.0° |
| C11 | C12 | C13 | C14 | 26.6° | 115.4° |
| C12 | C11 | C10 | H5 | 170.2° | 180.0° |
| C11 | C12 | C24 | H13 | 166.5° | 180.0° |
| C25 | C24 | C12 | H13 | 180.0° | 179.8° |
| C25 | C24 | C12 | C13 | 177.9° | 179.7° |
| C24 | C12 | C13 | C14 | 142.5° | 64.6° |
| C24 | C12 | C11 | H6 | 166.2° | 180.0° |
| C12 | C24 | C25 | H14 | 171.3° | 179.7° |
| C12 | C13 | C14 | C15 | 9.3° | 158.0° |
| C13 | C12 | C11 | H6 | 3.1° | 0.0° |
| C13 | C12 | C24 | H13 | 2.1° | 0.1° |
| C13 | C14 | C15 | C16 | 21.8° | 135.1° |
| C14 | C15 | C16 | C17 | 2.6° | 90.4° |
| C19 | C18 | C17 | H7 | 180.0° | 180.0° |
| C18 | C19 | C20 | H8 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 169.0° | 180.0° |
| C19 | C18 | C17 | C23 | 1.0° | 0.3° |
| C18 | C19 | C20 | N21 | 173.8° | 180.0° |
| C18 | C19 | C20 | C22 | 3.7° | 0.0° |
| C18 | C17 | C16 | C15 | 21.6° | 48.2° |
| C17 | C18 | C19 | C20 | 6.7° | 0.0° |
| C18 | C17 | C16 | C23 | 170.0° | 179.7° |
| C18 | C17 | C23 | C22 | 7.9° | 0.6° |
| C17 | C18 | C19 | H8 | 173.3° | 180.0° |
| C18 | C17 | C23 | H12 | 172.1° | 179.7° |
| C15 | C16 | C17 | C23 | 148.4° | 132.1° |
| C19 | C20 | N21 | C22 | 177.5° | 180.0° |
| C19 | C20 | C22 | C23 | 5.2° | 0.3° |
| C20 | C19 | C18 | H7 | 173.3° | 180.0° |
| C19 | C20 | N21 | H9 | 180.0° | 0.0° |
| C19 | C20 | N21 | H10 | 60.0° | 180.0° |
| C19 | C20 | C22 | H11 | 174.8° | 180.0° |
| C16 | C17 | C23 | C22 | 177.0° | 179.7° |
| C16 | C17 | C18 | H7 | 11.0° | 0.0° |
| C16 | C17 | C23 | H12 | 3.0° | 0.0° |
| C17 | C23 | C22 | C20 | 10.7° | 0.6° |
| C17 | C23 | C22 | H12 | 180.0° | 179.7° |
| C23 | C17 | C18 | H7 | 178.9° | 179.7° |
| C17 | C23 | C22 | H11 | 169.3° | 179.7° |
| N21 | C20 | C22 | C23 | 177.4° | 179.7° |
| N21 | C20 | C19 | H8 | 6.2° | 0.0° |
| C20 | N21 | H9 | H10 | 120.0° | 180.0° |
| N21 | C20 | C22 | H11 | 2.6° | 0.0° |
| C20 | C22 | C23 | H11 | 180.0° | 179.7° |
| C22 | C20 | C19 | H8 | 176.3° | 180.0° |
| C22 | C20 | N21 | H9 | 2.5° | 180.0° |
| C22 | C20 | N21 | H10 | 117.6° | 0.0° |
| C20 | C22 | C23 | H12 | 169.2° | 179.7° |
| H1 | O01 | N02 | H2 | 172.1° | 0.1° |
| H3 | C05 | N06 | H4 | 150.8° | 145.1° |
| H5 | C10 | C11 | H6 | 9.8° | 0.0° |
| H7 | C18 | C19 | H8 | 6.7° | 0.0° |
| H11 | C22 | C23 | H12 | 10.7° | 0.0° |
| H13 | C24 | C25 | H14 | 8.8° | 0.0° |
| H16 | C28 | H17 | H18 | 119.9° | 120.0° |
| H19 | C30 | C31 | H20 | 3.5° | 0.1° |
| H22 | C34 | C35 | H23 | 12.0° | 0.2° |
