WWQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.22Å | |
| C3 | C4 | sing | 1.48Å | 1.50Å | |
| C3 | N | sing | 1.35Å | 1.32Å | |
| C14 | N | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.48Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N | C2 | sing | 1.47Å | 1.47Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| N3 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.39Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| N1 | C7 | sing | 1.47Å | 1.46Å | |
| N1 | C11 | sing | 1.47Å | 1.47Å | |
| C9 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C16 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C | sing | 1.51Å | 1.53Å | |
| C | N4 | sing | 1.35Å | 1.34Å | |
| N5 | C24 | sing | 1.35Å | 1.35Å | |
| C24 | O2 | doub | 1.22Å | 1.25Å | |
| C24 | C23 | sing | 1.48Å | 1.50Å | |
| C23 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| N4 | C17 | sing | 1.40Å | 1.42Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.48Å | |
| C17 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| N5 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C21 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N4 | H30 | sing | 0.97Å | 1.00Å | |
| C15 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H34 | sing | 1.09Å | 1.10Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C4 | 118.3° | 119.9° |
| O1 | C3 | N | 123.2° | 120.0° |
| C4 | C3 | N | 118.4° | 120.0° |
| C3 | C4 | C5 | 119.1° | 119.7° |
| C3 | C4 | N3 | 116.5° | 119.6° |
| C3 | N | C14 | 122.6° | 120.6° |
| C3 | N | C2 | 123.6° | 120.7° |
| N | C14 | C15 | 109.3° | 108.7° |
| C14 | N | C2 | 113.7° | 118.8° |
| N | C14 | H16 | 109.5° | 109.6° |
| N | C14 | H17 | 109.5° | 109.6° |
| C14 | C15 | C16 | 112.0° | 109.3° |
| C15 | C14 | H16 | 109.5° | 109.6° |
| C15 | C14 | H17 | 109.5° | 109.5° |
| C14 | C15 | H31 | 108.8° | 109.5° |
| C14 | C15 | H32 | 108.8° | 109.5° |
| C5 | C4 | N3 | 124.2° | 120.7° |
| C4 | C5 | C6 | 118.9° | 119.0° |
| C4 | C5 | H4 | 120.6° | 120.5° |
| C4 | N3 | C13 | 116.5° | 121.8° |
| C5 | C6 | C12 | 117.1° | 118.4° |
| C5 | C6 | N1 | 121.5° | 120.8° |
| C6 | C5 | H4 | 120.5° | 120.5° |
| N | C2 | C1 | 110.8° | 108.8° |
| N | C2 | H2 | 109.1° | 109.6° |
| N | C2 | H3 | 109.1° | 109.7° |
| C15 | C16 | C1 | 112.6° | 109.6° |
| C15 | C16 | H18 | 108.7° | 109.5° |
| C15 | C16 | H19 | 108.7° | 109.4° |
| C16 | C15 | H31 | 108.8° | 109.5° |
| C16 | C15 | H32 | 108.8° | 109.5° |
| N3 | C13 | C12 | 123.8° | 121.0° |
| N3 | C13 | H15 | 118.1° | 119.5° |
| C13 | C12 | C6 | 119.4° | 119.3° |
| C13 | C12 | H14 | 120.3° | 120.3° |
| C12 | C13 | H15 | 118.1° | 119.5° |
| C12 | C6 | N1 | 121.4° | 120.8° |
| C6 | C12 | H14 | 120.3° | 120.4° |
| C6 | N1 | C7 | 121.3° | 111.0° |
| C6 | N1 | C11 | 119.2° | 111.0° |
| C7 | C8 | N2 | 111.0° | 109.4° |
| C8 | C7 | N1 | 109.3° | 109.4° |
| C8 | C7 | H5 | 109.5° | 109.6° |
| C8 | C7 | H6 | 109.5° | 109.5° |
| C7 | C8 | H34 | 109.1° | 109.5° |
| C7 | C8 | H35 | 109.1° | 109.4° |
| C8 | N2 | C9 | 110.4° | 111.0° |
| C8 | N2 | C10 | 109.5° | 110.9° |
| N2 | C8 | H34 | 109.1° | 109.5° |
| N2 | C8 | H35 | 109.1° | 109.5° |
| C7 | N1 | C11 | 110.1° | 110.9° |
| N1 | C7 | H5 | 109.5° | 109.5° |
| N1 | C7 | H6 | 109.5° | 109.4° |
| N1 | C11 | C10 | 110.9° | 109.4° |
| N1 | C11 | H12 | 109.1° | 109.5° |
| N1 | C11 | H13 | 109.1° | 109.5° |
| C9 | N2 | C10 | 111.2° | 111.0° |
| N2 | C9 | H7 | 109.5° | 109.5° |
| N2 | C9 | H8 | 109.5° | 109.5° |
| N2 | C9 | H9 | 109.5° | 109.5° |
| N2 | C10 | C11 | 110.9° | 109.4° |
| N2 | C10 | H10 | 109.1° | 109.5° |
| N2 | C10 | H11 | 109.1° | 109.4° |
| C11 | C10 | H10 | 109.1° | 109.6° |
| C11 | C10 | H11 | 109.1° | 109.5° |
| C10 | C11 | H12 | 109.1° | 109.5° |
| C10 | C11 | H13 | 109.1° | 109.5° |
| C2 | C1 | C16 | 112.6° | 109.3° |
| C2 | C1 | C | 110.2° | 109.5° |
| C2 | C1 | H1 | 107.8° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.5° |
| C1 | C2 | H3 | 109.2° | 109.6° |
| O | C | C1 | 121.6° | 120.0° |
| O | C | N4 | 124.4° | 120.0° |
| C16 | C1 | C | 110.8° | 109.5° |
| C16 | C1 | H1 | 107.6° | 109.5° |
| C1 | C16 | H18 | 108.7° | 109.4° |
| C1 | C16 | H19 | 108.7° | 109.5° |
| C1 | C | N4 | 113.9° | 120.0° |
| C | C1 | H1 | 107.7° | 109.5° |
| C | N4 | C17 | 131.7° | 120.0° |
| C | N4 | H30 | 114.2° | 119.9° |
| N5 | C24 | O2 | 122.6° | 120.0° |
| N5 | C24 | C23 | 117.9° | 120.0° |
| C24 | N5 | H20 | 120.0° | 120.0° |
| C24 | N5 | H21 | 120.0° | 120.0° |
| O2 | C24 | C23 | 119.6° | 120.0° |
| C24 | C23 | C25 | 121.1° | 120.0° |
| C24 | C23 | C22 | 120.5° | 120.0° |
| C25 | C23 | C22 | 118.4° | 120.0° |
| C23 | C25 | C26 | 120.7° | 119.9° |
| C23 | C25 | H24 | 119.6° | 120.0° |
| C23 | C22 | C21 | 120.8° | 120.0° |
| C23 | C22 | H22 | 119.6° | 120.0° |
| N4 | C17 | C18 | 125.1° | 120.0° |
| N4 | C17 | C29 | 114.8° | 120.0° |
| C17 | N4 | H30 | 114.2° | 120.1° |
| C25 | C26 | C20 | 121.2° | 120.1° |
| C26 | C25 | H24 | 119.7° | 120.0° |
| C25 | C26 | H25 | 119.4° | 120.0° |
| C22 | C21 | C20 | 121.2° | 120.0° |
| C21 | C22 | H22 | 119.6° | 120.0° |
| C22 | C21 | H23 | 119.4° | 120.0° |
| C17 | C18 | C19 | 120.9° | 119.8° |
| C18 | C17 | C29 | 119.7° | 120.0° |
| C17 | C18 | H26 | 119.5° | 120.1° |
| C18 | C19 | C20 | 121.0° | 120.1° |
| C18 | C19 | C27 | 118.3° | 119.8° |
| C19 | C18 | H26 | 119.5° | 120.1° |
| C26 | C20 | C21 | 117.6° | 120.1° |
| C26 | C20 | C19 | 121.2° | 120.0° |
| C20 | C26 | H25 | 119.4° | 120.0° |
| C21 | C20 | C19 | 121.1° | 119.9° |
| C20 | C21 | H23 | 119.4° | 120.0° |
| C20 | C19 | C27 | 120.7° | 120.1° |
| C17 | C29 | C28 | 119.9° | 120.2° |
| C17 | C29 | H29 | 120.0° | 119.9° |
| C19 | C27 | C28 | 120.7° | 120.0° |
| C19 | C27 | H27 | 119.6° | 120.0° |
| C29 | C28 | C27 | 120.4° | 120.2° |
| C29 | C28 | H28 | 119.8° | 119.9° |
| C28 | C29 | H29 | 120.1° | 119.9° |
| C28 | C27 | H27 | 119.6° | 120.0° |
| C27 | C28 | H28 | 119.8° | 119.9° |
| H2 | C2 | H3 | 109.5° | 109.6° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H7 | C9 | H8 | 109.5° | 109.4° |
| H7 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.7° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H20 | N5 | H21 | 120.0° | 120.0° |
| H31 | C15 | H32 | 109.5° | 109.5° |
| H34 | C8 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C4 | N | 175.2° | 180.0° |
| O1 | C3 | N | C14 | 11.7° | 0.4° |
| O1 | C3 | C4 | C5 | 66.2° | 22.4° |
| O1 | C3 | C4 | N3 | 109.6° | 157.3° |
| O1 | C3 | N | C2 | 165.5° | 179.7° |
| C4 | C3 | N | C14 | 163.2° | 179.6° |
| C3 | C4 | C5 | N3 | 175.4° | 179.7° |
| C3 | C4 | C5 | C6 | 174.3° | 180.0° |
| C4 | C3 | N | C2 | 19.5° | 0.3° |
| C3 | C4 | N3 | C13 | 174.0° | 179.7° |
| C3 | C4 | C5 | H4 | 5.7° | 0.0° |
| C3 | N | C14 | C2 | 177.5° | 179.9° |
| C3 | N | C14 | C15 | 114.6° | 126.5° |
| N | C3 | C4 | C5 | 118.6° | 157.6° |
| N | C3 | C4 | N3 | 65.6° | 22.7° |
| C3 | N | C2 | C1 | 119.6° | 126.5° |
| C3 | N | C2 | H2 | 120.2° | 113.8° |
| C3 | N | C2 | H3 | 0.6° | 6.6° |
| C3 | N | C14 | H16 | 5.3° | 6.7° |
| C3 | N | C14 | H17 | 125.4° | 113.8° |
| N | C14 | C15 | H16 | 120.0° | 119.8° |
| N | C14 | C15 | H17 | 120.0° | 119.7° |
| N | C14 | C15 | C16 | 57.1° | 54.6° |
| C14 | N | C2 | C1 | 57.9° | 53.6° |
| C14 | N | C2 | H2 | 62.3° | 66.1° |
| C14 | N | C2 | H3 | 178.1° | 173.5° |
| N | C14 | H16 | H17 | 120.1° | 120.4° |
| N | C14 | C15 | H31 | 63.3° | 174.6° |
| N | C14 | C15 | H32 | 177.5° | 65.3° |
| C15 | C14 | N | C2 | 62.9° | 53.6° |
| C14 | C15 | C16 | H31 | 120.4° | 120.0° |
| C14 | C15 | C16 | H32 | 120.4° | 120.0° |
| C14 | C15 | C16 | C1 | 49.3° | 61.4° |
| C15 | C14 | H16 | H17 | 120.0° | 120.3° |
| C14 | C15 | C16 | H18 | 169.8° | 178.7° |
| C14 | C15 | C16 | H19 | 71.2° | 58.7° |
| C14 | C15 | H31 | H32 | 118.8° | 120.1° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C5 | C4 | N3 | C13 | 1.6° | 0.6° |
| C4 | C5 | C6 | C12 | 0.7° | 0.1° |
| C4 | C5 | C6 | N1 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C4 | N3 | C13 | C12 | 1.7° | 0.6° |
| N3 | C4 | C5 | H4 | 178.9° | 179.8° |
| C4 | N3 | C13 | H15 | 178.3° | 179.7° |
| C5 | C6 | C12 | C13 | 0.9° | 0.1° |
| C5 | C6 | C12 | N1 | 178.6° | 180.0° |
| C5 | C6 | N1 | C7 | 23.1° | 179.9° |
| C5 | C6 | N1 | C11 | 166.1° | 56.2° |
| C5 | C6 | C12 | H14 | 179.2° | 180.0° |
| N | C2 | C1 | H2 | 120.2° | 119.8° |
| N | C2 | C1 | H3 | 120.2° | 119.9° |
| N | C2 | C1 | C16 | 47.4° | 54.6° |
| N | C2 | C1 | C | 76.8° | 174.6° |
| N | C2 | C1 | H1 | 165.8° | 65.3° |
| N | C2 | H2 | H3 | 119.4° | 120.5° |
| C2 | N | C14 | H16 | 177.1° | 173.4° |
| C2 | N | C14 | H17 | 57.1° | 66.1° |
| C15 | C16 | C1 | C2 | 44.1° | 61.3° |
| C15 | C16 | C1 | H18 | 120.5° | 120.1° |
| C15 | C16 | C1 | H19 | 120.5° | 120.0° |
| C15 | C16 | C1 | C | 79.8° | 178.7° |
| C15 | C16 | C1 | H1 | 162.7° | 58.6° |
| C16 | C15 | C14 | H16 | 177.0° | 174.4° |
| C16 | C15 | C14 | H17 | 62.9° | 65.1° |
| C15 | C16 | H18 | H19 | 118.6° | 120.0° |
| C16 | C15 | H31 | H32 | 118.8° | 120.1° |
| N3 | C13 | C12 | H15 | 180.0° | 179.7° |
| N3 | C13 | C12 | C6 | 1.5° | 0.3° |
| N3 | C13 | C12 | H14 | 178.6° | 179.8° |
| C13 | C12 | C6 | H14 | 180.0° | 179.9° |
| C13 | C12 | C6 | N1 | 179.5° | 180.0° |
| C12 | C6 | N1 | C7 | 155.5° | 0.0° |
| C12 | C6 | N1 | C11 | 12.4° | 123.8° |
| C12 | C6 | C5 | H4 | 179.3° | 180.0° |
| C6 | C12 | C13 | H15 | 178.6° | 180.0° |
| C6 | N1 | C7 | C8 | 155.5° | 176.8° |
| C6 | N1 | C7 | C11 | 146.0° | 123.9° |
| C6 | N1 | C11 | C10 | 155.8° | 176.8° |
| N1 | C6 | C5 | H4 | 0.7° | 0.1° |
| C6 | N1 | C7 | H5 | 84.5° | 56.8° |
| C6 | N1 | C7 | H6 | 35.6° | 63.2° |
| C6 | N1 | C11 | H12 | 84.0° | 56.8° |
| C6 | N1 | C11 | H13 | 35.6° | 63.2° |
| N1 | C6 | C12 | H14 | 0.5° | 0.0° |
| C7 | C8 | N2 | H34 | 120.2° | 120.0° |
| C7 | C8 | N2 | H35 | 120.2° | 119.9° |
| C8 | C7 | N1 | H5 | 120.0° | 120.1° |
| C8 | C7 | N1 | H6 | 120.0° | 120.0° |
| C8 | C7 | N1 | C11 | 58.4° | 59.2° |
| C7 | C8 | N2 | C9 | 178.5° | 176.8° |
| C7 | C8 | N2 | C10 | 58.8° | 59.3° |
| C8 | C7 | H5 | H6 | 120.1° | 120.1° |
| C7 | C8 | H34 | H35 | 119.3° | 120.0° |
| N2 | C8 | C7 | N1 | 60.0° | 58.4° |
| C8 | N2 | C9 | C10 | 121.7° | 123.8° |
| C8 | N2 | C10 | C11 | 56.6° | 59.3° |
| N2 | C8 | C7 | H5 | 60.0° | 178.4° |
| N2 | C8 | C7 | H6 | 179.9° | 61.6° |
| C8 | N2 | C9 | H7 | 180.0° | 63.8° |
| C8 | N2 | C9 | H8 | 60.0° | 56.2° |
| C8 | N2 | C9 | H9 | 60.0° | 176.2° |
| C8 | N2 | C10 | H10 | 63.6° | 179.3° |
| C8 | N2 | C10 | H11 | 176.8° | 60.6° |
| N2 | C8 | H34 | H35 | 119.3° | 120.1° |
| C7 | N1 | C11 | C10 | 57.3° | 59.2° |
| N1 | C7 | H5 | H6 | 120.1° | 119.9° |
| C7 | N1 | C11 | H12 | 62.9° | 179.2° |
| C7 | N1 | C11 | H13 | 177.6° | 60.7° |
| N1 | C7 | C8 | H34 | 60.3° | 61.7° |
| N1 | C7 | C8 | H35 | 179.8° | 178.3° |
| N1 | C11 | C10 | N2 | 56.5° | 58.3° |
| N1 | C11 | C10 | H12 | 120.2° | 120.0° |
| N1 | C11 | C10 | H13 | 120.2° | 120.0° |
| C11 | N1 | C7 | H5 | 61.5° | 179.3° |
| C11 | N1 | C7 | H6 | 178.4° | 60.8° |
| N1 | C11 | C10 | H10 | 63.7° | 178.4° |
| N1 | C11 | C10 | H11 | 176.8° | 61.5° |
| N1 | C11 | H12 | H13 | 119.3° | 120.0° |
| C9 | N2 | C10 | C11 | 178.9° | 176.8° |
| N2 | C9 | H7 | H8 | 120.0° | 120.0° |
| N2 | C9 | H7 | H9 | 120.0° | 120.1° |
| N2 | C9 | H8 | H9 | 120.0° | 120.1° |
| C9 | N2 | C10 | H10 | 58.7° | 56.7° |
| C9 | N2 | C10 | H11 | 60.9° | 63.3° |
| C9 | N2 | C8 | H34 | 61.3° | 63.2° |
| C9 | N2 | C8 | H35 | 58.3° | 56.9° |
| N2 | C10 | C11 | H10 | 120.2° | 120.0° |
| N2 | C10 | C11 | H11 | 120.2° | 119.9° |
| C10 | N2 | C9 | H7 | 58.3° | 60.1° |
| C10 | N2 | C9 | H8 | 61.7° | 180.0° |
| C10 | N2 | C9 | H9 | 178.3° | 59.9° |
| N2 | C10 | H10 | H11 | 119.4° | 120.0° |
| N2 | C10 | C11 | H12 | 63.7° | 178.4° |
| N2 | C10 | C11 | H13 | 176.8° | 61.6° |
| C10 | N2 | C8 | H34 | 61.4° | 60.7° |
| C10 | N2 | C8 | H35 | 179.0° | 179.2° |
| C11 | C10 | H10 | H11 | 119.3° | 120.1° |
| C10 | C11 | H12 | H13 | 119.3° | 120.0° |
| C2 | C1 | C | O | 15.6° | 120.0° |
| C2 | C1 | C16 | C | 123.9° | 120.0° |
| C2 | C1 | C16 | H1 | 118.6° | 119.9° |
| C2 | C1 | C | H1 | 117.3° | 120.0° |
| C2 | C1 | C | N4 | 163.8° | 60.0° |
| C1 | C2 | H2 | H3 | 119.4° | 120.3° |
| C2 | C1 | C16 | H18 | 164.6° | 178.6° |
| C2 | C1 | C16 | H19 | 76.4° | 58.7° |
| O | C | C1 | C16 | 109.6° | 0.1° |
| O | C | C1 | N4 | 179.4° | 180.0° |
| O | C | N4 | C17 | 8.4° | 4.1° |
| O | C | C1 | H1 | 133.0° | 120.0° |
| O | C | N4 | H30 | 171.6° | 175.8° |
| C16 | C1 | C | H1 | 117.4° | 120.1° |
| C16 | C1 | C | N4 | 71.0° | 179.9° |
| C16 | C1 | C2 | H2 | 72.8° | 65.2° |
| C16 | C1 | C2 | H3 | 167.6° | 174.5° |
| C1 | C16 | H18 | H19 | 118.6° | 119.9° |
| C1 | C16 | C15 | H31 | 71.1° | 178.7° |
| C1 | C16 | C15 | H32 | 169.7° | 58.6° |
| C1 | C | N4 | C17 | 171.0° | 175.9° |
| C | C1 | C2 | H2 | 162.9° | 54.8° |
| C | C1 | C2 | H3 | 43.3° | 65.5° |
| C | C1 | C16 | H18 | 40.6° | 58.6° |
| C | C1 | C16 | H19 | 159.7° | 61.3° |
| C1 | C | N4 | H30 | 9.0° | 4.1° |
| C | N4 | C17 | H30 | 180.0° | 180.0° |
| C | N4 | C17 | C18 | 12.6° | 144.4° |
| C | N4 | C17 | C29 | 160.0° | 35.7° |
| N4 | C | C1 | H1 | 46.5° | 60.0° |
| N5 | C24 | O2 | C23 | 179.0° | 179.9° |
| N5 | C24 | C23 | C25 | 10.2° | 180.0° |
| N5 | C24 | C23 | C22 | 168.8° | 0.3° |
| C24 | N5 | H20 | H21 | 180.0° | 179.9° |
| O2 | C24 | C23 | C25 | 170.7° | 0.0° |
| O2 | C24 | C23 | C22 | 10.3° | 179.7° |
| O2 | C24 | N5 | H20 | 0.0° | 0.1° |
| O2 | C24 | N5 | H21 | 180.0° | 180.0° |
| C24 | C23 | C25 | C22 | 179.0° | 179.7° |
| C24 | C23 | C25 | C26 | 179.0° | 180.0° |
| C24 | C23 | C22 | C21 | 179.0° | 180.0° |
| C23 | C24 | N5 | H20 | 179.0° | 180.0° |
| C23 | C24 | N5 | H21 | 0.9° | 0.1° |
| C24 | C23 | C22 | H22 | 1.0° | 0.1° |
| C24 | C23 | C25 | H24 | 1.0° | 0.0° |
| C23 | C25 | C26 | H24 | 180.0° | 180.0° |
| C25 | C23 | C22 | C21 | 0.0° | 0.3° |
| C23 | C25 | C26 | C20 | 2.8° | 0.0° |
| C25 | C23 | C22 | H22 | 180.0° | 179.8° |
| C23 | C25 | C26 | H25 | 177.3° | 180.0° |
| C22 | C23 | C25 | C26 | 2.0° | 0.3° |
| C23 | C22 | C21 | H22 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 1.4° | 0.0° |
| C23 | C22 | C21 | H23 | 178.6° | 179.9° |
| C22 | C23 | C25 | H24 | 178.0° | 179.7° |
| N4 | C17 | C18 | C29 | 172.3° | 179.9° |
| N4 | C17 | C18 | C19 | 170.9° | 180.0° |
| N4 | C17 | C29 | C28 | 171.0° | 179.7° |
| N4 | C17 | C18 | H26 | 9.1° | 0.1° |
| N4 | C17 | C29 | H29 | 9.0° | 0.0° |
| C25 | C26 | C20 | H25 | 180.0° | 179.9° |
| C25 | C26 | C20 | C21 | 1.4° | 0.2° |
| C25 | C26 | C20 | C19 | 179.4° | 180.0° |
| C22 | C21 | C20 | C26 | 0.7° | 0.2° |
| C22 | C21 | C20 | H23 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 177.3° | 180.0° |
| C17 | C18 | C19 | H26 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 178.5° | 180.0° |
| C17 | C18 | C19 | C27 | 0.2° | 0.3° |
| C18 | C17 | C29 | C28 | 2.1° | 0.3° |
| C18 | C17 | C29 | H29 | 177.9° | 179.9° |
| C18 | C17 | N4 | H30 | 167.4° | 35.6° |
| C18 | C19 | C20 | C26 | 159.4° | 0.5° |
| C18 | C19 | C20 | C21 | 22.6° | 179.7° |
| C18 | C19 | C20 | C27 | 178.7° | 179.7° |
| C19 | C18 | C17 | C29 | 1.4° | 0.0° |
| C18 | C19 | C27 | C28 | 1.2° | 0.2° |
| C18 | C19 | C27 | H27 | 178.8° | 179.8° |
| C26 | C20 | C21 | C19 | 178.0° | 179.8° |
| C26 | C20 | C19 | C27 | 21.8° | 179.8° |
| C26 | C20 | C21 | H23 | 179.3° | 179.8° |
| C20 | C26 | C25 | H24 | 177.2° | 179.9° |
| C21 | C20 | C19 | C27 | 156.1° | 0.0° |
| C20 | C21 | C22 | H22 | 178.6° | 179.9° |
| C21 | C20 | C26 | H25 | 178.6° | 179.7° |
| C20 | C19 | C27 | C28 | 177.5° | 180.0° |
| C19 | C20 | C21 | H23 | 2.6° | 0.0° |
| C19 | C20 | C26 | H25 | 0.6° | 0.1° |
| C20 | C19 | C18 | H26 | 1.5° | 0.0° |
| C20 | C19 | C27 | H27 | 2.5° | 0.0° |
| C17 | C29 | C28 | H29 | 180.0° | 179.7° |
| C17 | C29 | C28 | C27 | 1.1° | 0.3° |
| C29 | C17 | C18 | H26 | 178.6° | 180.0° |
| C17 | C29 | C28 | H28 | 178.9° | 179.8° |
| C29 | C17 | N4 | H30 | 20.0° | 144.3° |
| C19 | C27 | C28 | C29 | 0.6° | 0.0° |
| C19 | C27 | C28 | H27 | 180.0° | 180.0° |
| C27 | C19 | C18 | H26 | 179.8° | 179.7° |
| C19 | C27 | C28 | H28 | 179.4° | 180.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | H27 | 179.4° | 180.0° |
| C27 | C28 | C29 | H29 | 178.9° | 180.0° |
| H1 | C1 | C2 | H2 | 45.6° | 174.9° |
| H1 | C1 | C2 | H3 | 74.0° | 54.6° |
| H1 | C1 | C16 | H18 | 76.9° | 61.4° |
| H1 | C1 | C16 | H19 | 42.2° | 178.6° |
| H5 | C7 | C8 | H34 | 179.8° | 58.4° |
| H5 | C7 | C8 | H35 | 60.2° | 61.6° |
| H6 | C7 | C8 | H34 | 59.7° | 178.4° |
| H6 | C7 | C8 | H35 | 59.9° | 58.4° |
| H7 | C9 | H8 | H9 | 120.0° | 120.0° |
| H10 | C10 | C11 | H12 | 176.1° | 61.6° |
| H10 | C10 | C11 | H13 | 56.5° | 58.4° |
| H11 | C10 | C11 | H12 | 56.5° | 58.5° |
| H11 | C10 | C11 | H13 | 63.0° | 178.5° |
| H14 | C12 | C13 | H15 | 1.4° | 0.0° |
| H16 | C14 | C15 | H31 | 56.7° | 65.6° |
| H16 | C14 | C15 | H32 | 62.6° | 54.5° |
| H17 | C14 | C15 | H31 | 176.7° | 54.8° |
| H17 | C14 | C15 | H32 | 57.5° | 174.9° |
| H18 | C16 | C15 | H31 | 49.4° | 58.7° |
| H18 | C16 | C15 | H32 | 69.9° | 61.4° |
| H19 | C16 | C15 | H31 | 168.4° | 61.3° |
| H19 | C16 | C15 | H32 | 49.2° | 178.6° |
| H22 | C22 | C21 | H23 | 1.3° | 0.0° |
| H24 | C25 | C26 | H25 | 2.7° | 0.0° |
| H27 | C27 | C28 | H28 | 0.6° | 0.0° |
| H28 | C28 | C29 | H29 | 1.1° | 0.1° |
