1WM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C20 | sing | 1.39Å | 1.45Å | |
| C22 | C20 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C17 | C16 | sing | 1.43Å | 1.45Å | |
| C16 | C15 | trip | 1.17Å | 1.19Å | |
| C15 | C14 | sing | 1.38Å | 1.47Å | |
| C14 | C13 | trip | 1.17Å | 1.23Å | |
| C13 | C12 | sing | 1.43Å | 1.48Å | |
| C24 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.37Å | 1.42Å | Aromatic |
| C12 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C09 | doub | 1.40Å | 1.43Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C07 | sing | 1.48Å | 1.50Å | |
| O08 | C07 | doub | 1.22Å | 1.23Å | |
| C07 | N06 | sing | 1.35Å | 1.47Å | |
| O01 | N02 | sing | 1.42Å | 1.35Å | |
| N02 | C03 | sing | 1.35Å | 1.42Å | |
| N06 | C05 | sing | 1.46Å | 1.46Å | |
| C03 | O04 | doub | 1.21Å | 1.23Å | |
| C03 | C05 | sing | 1.51Å | 1.51Å | |
| C05 | C26 | sing | 1.53Å | 1.50Å | |
| C26 | O27 | sing | 1.43Å | 1.37Å | |
| C26 | C29 | sing | 1.51Å | 1.48Å | |
| C29 | C35 | doub | 1.38Å | 1.44Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.43Å | Aromatic |
| C35 | C34 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.42Å | Aromatic |
| C34 | C32 | doub | 1.39Å | 1.43Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| C32 | O33 | sing | 1.36Å | 1.40Å | |
| 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 | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| O27 | H16 | sing | 0.97Å | 0.95Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| C31 | H18 | sing | 1.08Å | 1.08Å | |
| O33 | H19 | sing | 0.97Å | 0.95Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C20 | C22 | 120.2° | 119.9° |
| N21 | C20 | C19 | 119.3° | 119.9° |
| C20 | N21 | H9 | 109.5° | 120.0° |
| C20 | N21 | H10 | 109.4° | 120.0° |
| C20 | C22 | C23 | 120.5° | 120.1° |
| C22 | C20 | C19 | 120.5° | 120.2° |
| C20 | C22 | H11 | 119.7° | 119.9° |
| C22 | C23 | C17 | 118.7° | 119.9° |
| C23 | C22 | H11 | 119.7° | 120.0° |
| C22 | C23 | H12 | 120.7° | 120.1° |
| C20 | C19 | C18 | 119.2° | 120.1° |
| C20 | C19 | H8 | 120.4° | 119.9° |
| C23 | C17 | C18 | 121.1° | 119.8° |
| C23 | C17 | C16 | 122.5° | 120.1° |
| C17 | C23 | H12 | 120.7° | 120.0° |
| C19 | C18 | C17 | 120.0° | 119.9° |
| C19 | C18 | H7 | 120.0° | 120.0° |
| C18 | C19 | H8 | 120.4° | 120.0° |
| C18 | C17 | C16 | 116.4° | 120.0° |
| C17 | C18 | H7 | 120.0° | 120.1° |
| C17 | C16 | C15 | 178.7° | 179.9° |
| C16 | C15 | C14 | 178.3° | 179.9° |
| C15 | C14 | C13 | 178.1° | 179.9° |
| C14 | C13 | C12 | 178.7° | 180.0° |
| C13 | C12 | C24 | 125.0° | 120.1° |
| C13 | C12 | C11 | 113.6° | 120.0° |
| C12 | C24 | C25 | 118.7° | 120.0° |
| C24 | C12 | C11 | 121.4° | 120.0° |
| C12 | C24 | H13 | 120.6° | 120.0° |
| C24 | C25 | C09 | 119.4° | 120.0° |
| C25 | C24 | H13 | 120.7° | 120.0° |
| C24 | C25 | H14 | 120.3° | 120.0° |
| C12 | C11 | C10 | 120.1° | 119.9° |
| C12 | C11 | H6 | 120.0° | 120.0° |
| C25 | C09 | C10 | 121.6° | 120.1° |
| C25 | C09 | C07 | 120.7° | 119.9° |
| C09 | C25 | H14 | 120.3° | 120.0° |
| C11 | C10 | C09 | 118.7° | 120.1° |
| C11 | C10 | H5 | 120.7° | 120.0° |
| C10 | C11 | H6 | 119.9° | 120.0° |
| C10 | C09 | C07 | 117.8° | 120.0° |
| C09 | C10 | H5 | 120.6° | 120.0° |
| C09 | C07 | O08 | 121.4° | 120.0° |
| C09 | C07 | N06 | 116.8° | 120.0° |
| O08 | C07 | N06 | 121.7° | 120.0° |
| C07 | N06 | C05 | 120.6° | 120.0° |
| C07 | N06 | H4 | 119.7° | 120.0° |
| O01 | N02 | C03 | 118.2° | 120.0° |
| N02 | O01 | H1 | 109.5° | 114.0° |
| O01 | N02 | H2 | 120.9° | 120.0° |
| N02 | C03 | O04 | 119.1° | 120.0° |
| N02 | C03 | C05 | 119.7° | 120.0° |
| C03 | N02 | H2 | 120.9° | 120.0° |
| N06 | C05 | C03 | 105.0° | 109.5° |
| N06 | C05 | C26 | 112.0° | 109.5° |
| N06 | C05 | H3 | 110.1° | 109.4° |
| C05 | N06 | H4 | 119.7° | 120.0° |
| O04 | C03 | C05 | 120.0° | 120.0° |
| C03 | C05 | C26 | 110.9° | 109.5° |
| C03 | C05 | H3 | 109.4° | 109.5° |
| C05 | C26 | O27 | 111.6° | 109.5° |
| C05 | C26 | C29 | 110.6° | 109.5° |
| C26 | C05 | H3 | 109.4° | 109.4° |
| C05 | C26 | H15 | 107.0° | 109.5° |
| O27 | C26 | C29 | 111.5° | 109.4° |
| O27 | C26 | H15 | 108.7° | 109.5° |
| C26 | O27 | H16 | 109.5° | 114.0° |
| C26 | C29 | C35 | 120.7° | 120.0° |
| C26 | C29 | C30 | 119.4° | 120.0° |
| C29 | C26 | H15 | 107.2° | 109.4° |
| C35 | C29 | C30 | 119.8° | 120.1° |
| C29 | C35 | C34 | 119.6° | 120.1° |
| C29 | C35 | H21 | 120.2° | 119.9° |
| C29 | C30 | C31 | 120.4° | 120.1° |
| C29 | C30 | H17 | 119.8° | 119.9° |
| C35 | C34 | C32 | 120.5° | 119.9° |
| C35 | C34 | H20 | 119.8° | 120.0° |
| C34 | C35 | H21 | 120.2° | 120.0° |
| C30 | C31 | C32 | 119.6° | 119.9° |
| C31 | C30 | H17 | 119.8° | 120.0° |
| C30 | C31 | H18 | 120.2° | 120.1° |
| C34 | C32 | C31 | 120.1° | 119.9° |
| C34 | C32 | O33 | 119.8° | 120.0° |
| C32 | C34 | H20 | 119.7° | 120.1° |
| C31 | C32 | O33 | 120.0° | 120.0° |
| C32 | C31 | H18 | 120.2° | 120.0° |
| C32 | O33 | H19 | 109.5° | 114.0° |
| H9 | N21 | H10 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C20 | C22 | C19 | 179.9° | 179.9° |
| N21 | C20 | C22 | C23 | 179.7° | 179.7° |
| N21 | C20 | C19 | C18 | 179.7° | 179.9° |
| N21 | C20 | C19 | H8 | 0.3° | 0.0° |
| C20 | N21 | H9 | H10 | 120.0° | 179.9° |
| N21 | C20 | C22 | H11 | 0.3° | 0.0° |
| C20 | C22 | C23 | H11 | 180.0° | 179.7° |
| C20 | C22 | C23 | C17 | 0.6° | 0.5° |
| C22 | C20 | C19 | C18 | 0.2° | 0.0° |
| C22 | C20 | C19 | H8 | 179.8° | 179.9° |
| C22 | C20 | N21 | H9 | 180.0° | 180.0° |
| C22 | C20 | N21 | H10 | 60.0° | 0.1° |
| C20 | C22 | C23 | H12 | 179.4° | 180.0° |
| C23 | C22 | C20 | C19 | 0.2° | 0.2° |
| C22 | C23 | C17 | H12 | 180.0° | 179.6° |
| C22 | C23 | C17 | C18 | 1.1° | 0.5° |
| C22 | C23 | C17 | C16 | 179.9° | 179.8° |
| C20 | C19 | C18 | H8 | 180.0° | 180.0° |
| C20 | C19 | C18 | C17 | 0.6° | 0.0° |
| C20 | C19 | C18 | H7 | 179.4° | 179.9° |
| C19 | C20 | N21 | H9 | 0.1° | 0.1° |
| C19 | C20 | N21 | H10 | 119.9° | 180.0° |
| C19 | C20 | C22 | H11 | 179.8° | 179.9° |
| C23 | C17 | C18 | C19 | 1.1° | 0.3° |
| C23 | C17 | C18 | C16 | 178.9° | 179.7° |
| C23 | C17 | C16 | C15 | 150.0° | 45.8° |
| C23 | C17 | C18 | H7 | 178.9° | 179.8° |
| C17 | C23 | C22 | H11 | 179.4° | 179.8° |
| C19 | C18 | C17 | H7 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 28.9° | 133.9° |
| C17 | C18 | C19 | H8 | 179.3° | 180.0° |
| C18 | C17 | C23 | H12 | 179.0° | 179.9° |
| C17 | C16 | C15 | C14 | 4.6° | 152.7° |
| C16 | C17 | C18 | H7 | 0.0° | 0.1° |
| C16 | C17 | C23 | H12 | 0.1° | 0.2° |
| C16 | C15 | C14 | C13 | 10.0° | 135.2° |
| C15 | C14 | C13 | C12 | 54.2° | 143.3° |
| C14 | C13 | C12 | C24 | 161.1° | 81.5° |
| C14 | C13 | C12 | C11 | 20.8° | 98.5° |
| C13 | C12 | C24 | C11 | 177.9° | 180.0° |
| C13 | C12 | C24 | C25 | 179.1° | 179.7° |
| C13 | C12 | C11 | C10 | 179.5° | 180.0° |
| C13 | C12 | C11 | H6 | 0.5° | 0.0° |
| C13 | C12 | C24 | H13 | 0.9° | 0.0° |
| C12 | C24 | C25 | H13 | 180.0° | 179.7° |
| C12 | C24 | C25 | C09 | 0.5° | 0.5° |
| C24 | C12 | C11 | C10 | 1.3° | 0.0° |
| C24 | C12 | C11 | H6 | 178.7° | 180.0° |
| C12 | C24 | C25 | H14 | 179.4° | 180.0° |
| C25 | C24 | C12 | C11 | 1.2° | 0.3° |
| C24 | C25 | C09 | H14 | 180.0° | 179.5° |
| C24 | C25 | C09 | C10 | 0.0° | 0.6° |
| C24 | C25 | C09 | C07 | 178.9° | 179.7° |
| C12 | C11 | C10 | H6 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 0.8° | 0.0° |
| C12 | C11 | C10 | H5 | 179.2° | 180.0° |
| C11 | C12 | C24 | H13 | 178.8° | 180.0° |
| C25 | C09 | C10 | C11 | 0.2° | 0.3° |
| C25 | C09 | C10 | C07 | 178.9° | 179.7° |
| C25 | C09 | C07 | O08 | 17.7° | 179.7° |
| C25 | C09 | C07 | N06 | 166.8° | 0.3° |
| C25 | C09 | C10 | H5 | 179.8° | 179.8° |
| C09 | C25 | C24 | H13 | 179.5° | 179.7° |
| C11 | C10 | C09 | H5 | 180.0° | 180.0° |
| C11 | C10 | C09 | C07 | 179.1° | 180.0° |
| C10 | C09 | C07 | O08 | 161.2° | 0.0° |
| C10 | C09 | C07 | N06 | 14.3° | 180.0° |
| C09 | C10 | C11 | H6 | 179.2° | 180.0° |
| C10 | C09 | C25 | H14 | 179.9° | 180.0° |
| C09 | C07 | O08 | N06 | 175.2° | 180.0° |
| C09 | C07 | N06 | C05 | 173.8° | 180.0° |
| C09 | C07 | N06 | H4 | 6.2° | 0.1° |
| C07 | C09 | C10 | H5 | 0.9° | 0.0° |
| C07 | C09 | C25 | H14 | 1.0° | 0.3° |
| O08 | C07 | N06 | C05 | 1.6° | 0.0° |
| O08 | C07 | N06 | H4 | 178.4° | 180.0° |
| C07 | N06 | C05 | H4 | 180.0° | 180.0° |
| C07 | N06 | C05 | C03 | 88.8° | 85.0° |
| C07 | N06 | C05 | C26 | 150.8° | 155.0° |
| C07 | N06 | C05 | H3 | 28.8° | 35.0° |
| O01 | N02 | C03 | H2 | 180.0° | 179.9° |
| O01 | N02 | C03 | O04 | 4.0° | 4.9° |
| O01 | N02 | C03 | C05 | 171.3° | 175.1° |
| N02 | C03 | C05 | N06 | 119.4° | 153.2° |
| N02 | C03 | O04 | C05 | 167.2° | 179.9° |
| N02 | C03 | C05 | C26 | 119.5° | 86.7° |
| C03 | N02 | O01 | H1 | 1.9° | 180.0° |
| N02 | C03 | C05 | H3 | 1.4° | 33.3° |
| N06 | C05 | C03 | O04 | 73.5° | 26.8° |
| N06 | C05 | C03 | C26 | 121.1° | 120.0° |
| N06 | C05 | C03 | H3 | 118.0° | 120.0° |
| N06 | C05 | C26 | H3 | 122.3° | 119.9° |
| N06 | C05 | C26 | O27 | 172.3° | 178.8° |
| N06 | C05 | C26 | C29 | 62.9° | 58.8° |
| N06 | C05 | C26 | H15 | 53.5° | 61.2° |
| O04 | C03 | C05 | C26 | 47.7° | 93.2° |
| O04 | C03 | N02 | H2 | 175.9° | 175.0° |
| O04 | C03 | C05 | H3 | 168.5° | 146.8° |
| C03 | C05 | C26 | H3 | 120.8° | 120.0° |
| C03 | C05 | C26 | O27 | 55.4° | 61.2° |
| C03 | C05 | C26 | C29 | 179.8° | 178.8° |
| C05 | C03 | N02 | H2 | 8.7° | 5.0° |
| C03 | C05 | N06 | H4 | 91.2° | 95.1° |
| C03 | C05 | C26 | H15 | 63.4° | 58.9° |
| C05 | C26 | O27 | C29 | 124.2° | 120.0° |
| C05 | C26 | O27 | H15 | 117.8° | 120.0° |
| C05 | C26 | C29 | H15 | 116.3° | 120.0° |
| C05 | C26 | C29 | C35 | 65.8° | 99.2° |
| C05 | C26 | C29 | C30 | 116.3° | 80.6° |
| C26 | C05 | N06 | H4 | 29.3° | 25.0° |
| C05 | C26 | O27 | H16 | 180.0° | 60.0° |
| O27 | C26 | C29 | H15 | 118.9° | 120.0° |
| O27 | C26 | C29 | C35 | 58.9° | 140.8° |
| O27 | C26 | C29 | C30 | 118.9° | 39.5° |
| O27 | C26 | C05 | H3 | 65.3° | 58.8° |
| C26 | C29 | C35 | C30 | 177.8° | 179.7° |
| C26 | C29 | C35 | C34 | 178.4° | 179.8° |
| C26 | C29 | C30 | C31 | 178.3° | 180.0° |
| C29 | C26 | C05 | H3 | 59.4° | 61.2° |
| C29 | C26 | O27 | H16 | 55.8° | 60.0° |
| C26 | C29 | C30 | H17 | 1.7° | 0.0° |
| C26 | C29 | C35 | H21 | 1.6° | 0.0° |
| C29 | C35 | C34 | H21 | 180.0° | 179.8° |
| C35 | C29 | C30 | C31 | 0.5° | 0.2° |
| C29 | C35 | C34 | C32 | 0.5° | 0.5° |
| C35 | C29 | C26 | H15 | 177.8° | 20.8° |
| C35 | C29 | C30 | H17 | 179.6° | 179.7° |
| C29 | C35 | C34 | H20 | 179.4° | 179.7° |
| C30 | C29 | C35 | C34 | 0.6° | 0.5° |
| C29 | C30 | C31 | H17 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | C26 | H15 | 0.0° | 159.5° |
| C29 | C30 | C31 | H18 | 179.8° | 179.9° |
| C30 | C29 | C35 | H21 | 179.4° | 179.7° |
| C35 | C34 | C32 | H20 | 180.0° | 179.9° |
| C35 | C34 | C32 | C31 | 0.3° | 0.2° |
| C35 | C34 | C32 | O33 | 179.7° | 179.7° |
| C30 | C31 | C32 | C34 | 0.2° | 0.1° |
| C30 | C31 | C32 | H18 | 180.0° | 179.9° |
| C30 | C31 | C32 | O33 | 179.9° | 180.0° |
| C34 | C32 | C31 | O33 | 179.9° | 179.9° |
| C34 | C32 | C31 | H18 | 179.8° | 180.0° |
| C34 | C32 | O33 | H19 | 180.0° | 90.0° |
| C32 | C34 | C35 | H21 | 179.4° | 179.8° |
| C32 | C31 | C30 | H17 | 179.7° | 180.0° |
| C31 | C32 | O33 | H19 | 0.1° | 89.9° |
| C31 | C32 | C34 | H20 | 179.6° | 180.0° |
| O33 | C32 | C31 | H18 | 0.1° | 0.1° |
| O33 | C32 | C34 | H20 | 0.3° | 0.1° |
| H1 | O01 | N02 | H2 | 178.1° | 0.1° |
| H3 | C05 | N06 | H4 | 151.3° | 144.9° |
| H3 | C05 | C26 | H15 | 175.8° | 178.9° |
| H5 | C10 | C11 | H6 | 0.8° | 0.0° |
| H7 | C18 | C19 | H8 | 0.7° | 0.1° |
| H11 | C22 | C23 | H12 | 0.6° | 0.3° |
| H13 | C24 | C25 | H14 | 0.6° | 0.3° |
| H15 | C26 | O27 | H16 | 62.2° | 180.0° |
| H17 | C30 | C31 | H18 | 0.2° | 0.1° |
| H20 | C34 | C35 | H21 | 0.6° | 0.1° |
