IYL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | N2 | sing | 1.47Å | 1.45Å | |
| O5 | C23 | doub | 1.21Å | 1.24Å | |
| N2 | C32 | sing | 1.46Å | 1.45Å | |
| N2 | C30 | sing | 1.39Å | 1.38Å | |
| C29 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C30 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C8 | sing | 1.48Å | 1.50Å | |
| C23 | O4 | sing | 1.35Å | 1.28Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | C7 | doub | 1.41Å | 1.41Å | Aromatic |
| C33 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C27 | C26 | doub | 1.41Å | 1.40Å | Aromatic |
| C27 | C6 | sing | 1.47Å | 1.47Å | |
| C11 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.49Å | |
| C7 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.51Å | |
| C26 | O6 | sing | 1.35Å | 1.38Å | |
| N1 | C12 | sing | 1.35Å | 1.34Å | |
| N1 | C13 | sing | 1.46Å | 1.46Å | |
| C12 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | C5 | doub | 1.41Å | 1.41Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| O6 | C25 | sing | 1.35Å | 1.38Å | |
| C5 | C25 | sing | 1.46Å | 1.41Å | |
| C5 | C4 | sing | 1.41Å | 1.38Å | |
| C14 | O | sing | 1.43Å | 1.41Å | |
| C25 | C24 | doub | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.35Å | 1.39Å | |
| O | C15 | sing | 1.43Å | 1.44Å | |
| C24 | C2 | sing | 1.41Å | 1.39Å | |
| C3 | C2 | sing | 1.46Å | 1.40Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C2 | N | doub | 1.33Å | 1.39Å | |
| O1 | C16 | sing | 1.43Å | 1.42Å | |
| O1 | C17 | sing | 1.43Å | 1.41Å | |
| O2 | C21 | sing | 1.43Å | 1.42Å | |
| C21 | C20 | sing | 1.53Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N | C | sing | 1.47Å | 1.45Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C9 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| C3 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.08Å | 1.08Å | |
| C29 | H34 | sing | 1.08Å | 1.08Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å | |
| C32 | H39 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H41 | sing | 1.08Å | 1.08Å | |
| O2 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | N2 | C32 | 116.5° | 120.0° |
| C31 | N2 | C30 | 120.8° | 120.0° |
| N2 | C31 | H35 | 109.5° | 109.5° |
| N2 | C31 | H36 | 109.5° | 109.5° |
| N2 | C31 | H37 | 109.5° | 109.4° |
| O5 | C23 | C8 | 118.4° | 120.0° |
| O5 | C23 | O4 | 122.6° | 120.0° |
| C32 | N2 | C30 | 119.8° | 120.0° |
| N2 | C32 | H38 | 109.5° | 109.5° |
| N2 | C32 | H39 | 109.5° | 109.5° |
| N2 | C32 | H40 | 109.5° | 109.4° |
| N2 | C30 | C29 | 121.2° | 119.7° |
| N2 | C30 | C33 | 120.7° | 119.7° |
| C30 | C29 | C28 | 120.6° | 120.3° |
| C29 | C30 | C33 | 118.1° | 120.5° |
| C30 | C29 | H34 | 119.7° | 119.9° |
| C29 | C28 | C27 | 121.4° | 119.9° |
| C29 | C28 | H33 | 119.3° | 120.1° |
| C28 | C29 | H34 | 119.7° | 119.9° |
| C30 | C33 | C26 | 120.8° | 119.9° |
| C30 | C33 | H41 | 119.6° | 120.0° |
| C8 | C23 | O4 | 117.2° | 120.0° |
| C23 | C8 | C9 | 119.3° | 120.1° |
| C23 | C8 | C7 | 121.4° | 120.1° |
| C23 | O4 | H7 | 109.5° | 117.0° |
| C10 | C9 | C8 | 121.0° | 120.1° |
| C9 | C10 | C11 | 120.3° | 120.4° |
| C10 | C9 | H2 | 119.5° | 119.9° |
| C9 | C10 | H12 | 119.9° | 119.8° |
| C9 | C8 | C7 | 119.0° | 119.8° |
| C8 | C9 | H2 | 119.5° | 119.9° |
| C28 | C27 | C26 | 117.5° | 120.1° |
| C28 | C27 | C6 | 124.4° | 120.4° |
| C27 | C28 | H33 | 119.3° | 120.0° |
| C10 | C11 | C22 | 119.6° | 120.1° |
| C10 | C11 | C12 | 123.7° | 120.0° |
| C11 | C10 | H12 | 119.9° | 119.8° |
| C8 | C7 | C22 | 118.9° | 119.7° |
| C8 | C7 | C6 | 123.7° | 120.1° |
| C33 | C26 | C27 | 121.5° | 119.2° |
| C33 | C26 | O6 | 116.2° | 119.8° |
| C26 | C33 | H41 | 119.6° | 120.1° |
| C26 | C27 | C6 | 118.1° | 119.5° |
| C27 | C26 | O6 | 122.3° | 121.0° |
| C27 | C6 | C7 | 118.4° | 121.1° |
| C27 | C6 | C5 | 119.0° | 117.7° |
| C22 | C11 | C12 | 116.7° | 119.9° |
| C11 | C22 | C7 | 121.2° | 119.8° |
| C11 | C22 | H31 | 119.4° | 120.1° |
| C11 | C12 | N1 | 117.1° | 120.0° |
| C11 | C12 | O3 | 120.0° | 120.0° |
| C22 | C7 | C6 | 117.2° | 120.2° |
| C7 | C22 | H31 | 119.4° | 120.1° |
| C7 | C6 | C5 | 122.3° | 121.2° |
| C26 | O6 | C25 | 119.6° | 122.4° |
| C12 | N1 | C13 | 121.2° | 120.0° |
| N1 | C12 | O3 | 122.9° | 120.0° |
| C12 | N1 | H1 | 119.4° | 120.0° |
| N1 | C13 | C14 | 109.4° | 109.5° |
| C13 | N1 | H1 | 119.4° | 120.0° |
| N1 | C13 | H13 | 109.5° | 109.5° |
| N1 | C13 | H14 | 109.5° | 109.5° |
| C6 | C5 | C25 | 119.1° | 119.0° |
| C6 | C5 | C4 | 123.2° | 120.6° |
| C13 | C14 | O | 108.6° | 109.5° |
| C14 | C13 | H13 | 109.5° | 109.5° |
| C14 | C13 | H14 | 109.5° | 109.5° |
| C13 | C14 | H15 | 109.7° | 109.5° |
| C13 | C14 | H16 | 109.7° | 109.5° |
| O6 | C25 | C5 | 122.0° | 120.4° |
| O6 | C25 | C24 | 116.7° | 120.1° |
| C25 | C5 | C4 | 117.7° | 120.4° |
| C5 | C25 | C24 | 121.3° | 119.5° |
| C5 | C4 | C3 | 121.4° | 119.9° |
| C5 | C4 | H6 | 119.3° | 120.0° |
| C14 | O | C15 | 110.9° | 114.0° |
| O | C14 | H15 | 109.7° | 109.5° |
| O | C14 | H16 | 109.7° | 109.5° |
| C25 | C24 | C2 | 120.5° | 120.0° |
| C25 | C24 | H32 | 119.8° | 120.0° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C3 | C4 | H6 | 119.3° | 120.1° |
| C4 | C3 | H8 | 119.7° | 119.9° |
| O | C15 | C16 | 111.8° | 109.5° |
| O | C15 | H17 | 108.9° | 109.4° |
| O | C15 | H18 | 108.9° | 109.4° |
| C24 | C2 | C3 | 118.5° | 120.2° |
| C24 | C2 | N | 121.0° | 119.9° |
| C2 | C24 | H32 | 119.8° | 120.0° |
| C3 | C2 | N | 120.6° | 119.9° |
| C2 | C3 | H8 | 119.7° | 120.0° |
| C15 | C16 | O1 | 110.0° | 109.5° |
| C16 | C15 | H17 | 108.9° | 109.5° |
| C16 | C15 | H18 | 108.9° | 109.5° |
| C15 | C16 | H19 | 109.3° | 109.5° |
| C15 | C16 | H20 | 109.4° | 109.4° |
| C2 | N | C | 120.7° | 120.0° |
| C2 | N | C1 | 120.1° | 120.0° |
| C16 | O1 | C17 | 115.2° | 114.0° |
| O1 | C16 | H19 | 109.3° | 109.5° |
| O1 | C16 | H20 | 109.3° | 109.5° |
| O1 | C17 | C18 | 107.2° | 109.5° |
| O1 | C17 | H21 | 110.0° | 109.4° |
| O1 | C17 | H22 | 110.0° | 109.5° |
| O2 | C21 | C20 | 110.6° | 109.4° |
| O2 | C21 | H29 | 109.2° | 109.5° |
| O2 | C21 | H30 | 109.2° | 109.5° |
| C21 | O2 | H42 | 109.5° | 114.0° |
| C21 | C20 | C19 | 116.1° | 109.4° |
| C21 | C20 | H27 | 107.8° | 109.4° |
| C21 | C20 | H28 | 107.8° | 109.5° |
| C20 | C21 | H29 | 109.2° | 109.5° |
| C20 | C21 | H30 | 109.2° | 109.5° |
| C20 | C19 | C18 | 113.1° | 109.5° |
| C20 | C19 | H25 | 108.6° | 109.5° |
| C20 | C19 | H26 | 108.6° | 109.5° |
| C19 | C20 | H27 | 107.8° | 109.5° |
| C19 | C20 | H28 | 107.8° | 109.4° |
| C19 | C18 | C17 | 116.0° | 109.5° |
| C19 | C18 | H23 | 107.8° | 109.5° |
| C19 | C18 | H24 | 107.8° | 109.4° |
| C18 | C19 | H25 | 108.6° | 109.5° |
| C18 | C19 | H26 | 108.6° | 109.5° |
| C18 | C17 | H21 | 110.1° | 109.5° |
| C18 | C17 | H22 | 110.0° | 109.5° |
| C17 | C18 | H23 | 107.8° | 109.5° |
| C17 | C18 | H24 | 107.8° | 109.5° |
| C | N | C1 | 119.2° | 120.0° |
| N | C | H9 | 109.5° | 109.5° |
| N | C | H10 | 109.5° | 109.5° |
| N | C | H11 | 109.5° | 109.5° |
| N | C1 | H3 | 109.5° | 109.4° |
| N | C1 | H4 | 109.5° | 109.5° |
| N | C1 | H5 | 109.4° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H5 | 109.5° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.4° |
| H10 | C | H11 | 109.4° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.4° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.4° |
| H25 | C19 | H26 | 109.5° | 109.4° |
| H27 | C20 | H28 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.4° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H37 | 109.4° | 109.5° |
| H36 | C31 | H37 | 109.5° | 109.5° |
| H38 | C32 | H39 | 109.5° | 109.5° |
| H38 | C32 | H40 | 109.5° | 109.5° |
| H39 | C32 | H40 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | N2 | C32 | C30 | 161.0° | 179.9° |
| C31 | N2 | C30 | C29 | 1.4° | 174.2° |
| C31 | N2 | C30 | C33 | 177.7° | 5.8° |
| N2 | C31 | H35 | H36 | 120.0° | 120.0° |
| N2 | C31 | H35 | H37 | 120.0° | 119.9° |
| N2 | C31 | H36 | H37 | 120.0° | 119.9° |
| C31 | N2 | C32 | H38 | 180.0° | 174.9° |
| C31 | N2 | C32 | H39 | 60.0° | 65.0° |
| C31 | N2 | C32 | H40 | 60.0° | 55.0° |
| O5 | C23 | C8 | O4 | 165.4° | 180.0° |
| O5 | C23 | C8 | C9 | 27.4° | 179.9° |
| O5 | C23 | C8 | C7 | 146.6° | 0.1° |
| O5 | C23 | O4 | H7 | 0.0° | 0.0° |
| C32 | N2 | C30 | C29 | 158.8° | 5.9° |
| C32 | N2 | C30 | C33 | 22.1° | 174.2° |
| C32 | N2 | C31 | H35 | 180.0° | 89.9° |
| C32 | N2 | C31 | H36 | 60.0° | 150.0° |
| C32 | N2 | C31 | H37 | 60.0° | 30.0° |
| N2 | C32 | H38 | H39 | 120.0° | 120.0° |
| N2 | C32 | H38 | H40 | 120.0° | 120.0° |
| N2 | C32 | H39 | H40 | 120.0° | 120.0° |
| N2 | C30 | C29 | C33 | 179.1° | 180.0° |
| N2 | C30 | C29 | C28 | 179.0° | 179.9° |
| N2 | C30 | C33 | C26 | 178.1° | 180.0° |
| N2 | C30 | C29 | H34 | 1.0° | 0.0° |
| C30 | N2 | C31 | H35 | 19.2° | 90.0° |
| C30 | N2 | C31 | H36 | 139.2° | 30.1° |
| C30 | N2 | C31 | H37 | 100.8° | 150.0° |
| C30 | N2 | C32 | H38 | 19.0° | 5.1° |
| C30 | N2 | C32 | H39 | 101.0° | 114.9° |
| C30 | N2 | C32 | H40 | 139.0° | 125.1° |
| N2 | C30 | C33 | H41 | 1.8° | 0.0° |
| C30 | C29 | C28 | H34 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.6° | 0.0° |
| C29 | C30 | C33 | C26 | 1.0° | 0.1° |
| C30 | C29 | C28 | H33 | 179.4° | 180.0° |
| C29 | C30 | C33 | H41 | 179.0° | 180.0° |
| C28 | C29 | C30 | C33 | 0.1° | 0.0° |
| C29 | C28 | C27 | H33 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 0.5° | 0.0° |
| C29 | C28 | C27 | C6 | 178.0° | 179.7° |
| C30 | C33 | C26 | H41 | 180.0° | 180.0° |
| C30 | C33 | C26 | C27 | 1.1° | 0.1° |
| C30 | C33 | C26 | O6 | 179.0° | 180.0° |
| C33 | C30 | C29 | H34 | 179.9° | 180.0° |
| C23 | C8 | C9 | C10 | 177.0° | 179.9° |
| C23 | C8 | C9 | C7 | 174.2° | 179.9° |
| C23 | C8 | C7 | C22 | 175.8° | 180.0° |
| C23 | C8 | C7 | C6 | 1.2° | 0.2° |
| C23 | C8 | C9 | H2 | 3.0° | 0.1° |
| C8 | C23 | O4 | H7 | 164.8° | 179.9° |
| O4 | C23 | C8 | C9 | 138.0° | 0.1° |
| O4 | C23 | C8 | C7 | 48.0° | 180.0° |
| C10 | C9 | C8 | H2 | 180.0° | 180.0° |
| C9 | C10 | C11 | H12 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 2.9° | 0.1° |
| C9 | C10 | C11 | C22 | 0.0° | 0.0° |
| C9 | C10 | C11 | C12 | 177.1° | 180.0° |
| C8 | C9 | C10 | C11 | 2.0° | 0.0° |
| C9 | C8 | C7 | C22 | 1.8° | 0.1° |
| C9 | C8 | C7 | C6 | 172.8° | 179.7° |
| C8 | C9 | C10 | H12 | 178.0° | 179.9° |
| C28 | C27 | C26 | C33 | 0.3° | 0.1° |
| C28 | C27 | C26 | C6 | 177.7° | 179.7° |
| C28 | C27 | C6 | C7 | 3.3° | 0.4° |
| C28 | C27 | C26 | O6 | 178.1° | 179.9° |
| C28 | C27 | C6 | C5 | 176.2° | 179.7° |
| C27 | C28 | C29 | H34 | 179.4° | 180.0° |
| C10 | C11 | C22 | C12 | 177.3° | 180.0° |
| C10 | C11 | C22 | C7 | 1.1° | 0.0° |
| C10 | C11 | C12 | N1 | 28.6° | 0.0° |
| C10 | C11 | C12 | O3 | 153.4° | 180.0° |
| C11 | C10 | C9 | H2 | 178.0° | 180.0° |
| C10 | C11 | C22 | H31 | 178.9° | 179.7° |
| C8 | C7 | C6 | C27 | 67.6° | 74.8° |
| C8 | C7 | C22 | C11 | 0.1° | 0.0° |
| C8 | C7 | C22 | C6 | 174.9° | 179.8° |
| C8 | C7 | C6 | C5 | 119.8° | 105.3° |
| C7 | C8 | C9 | H2 | 177.1° | 180.0° |
| C8 | C7 | C22 | H31 | 179.9° | 179.7° |
| C33 | C26 | C27 | O6 | 177.7° | 179.9° |
| C33 | C26 | C27 | C6 | 177.3° | 179.6° |
| C33 | C26 | O6 | C25 | 175.8° | 179.3° |
| C26 | C27 | C6 | C7 | 174.1° | 180.0° |
| C26 | C27 | C6 | C5 | 1.3° | 0.0° |
| C27 | C26 | O6 | C25 | 2.0° | 0.6° |
| C26 | C27 | C28 | H33 | 179.5° | 180.0° |
| C27 | C26 | C33 | H41 | 178.9° | 179.9° |
| C27 | C6 | C7 | C22 | 107.1° | 105.0° |
| C27 | C6 | C7 | C5 | 172.6° | 180.0° |
| C6 | C27 | C26 | O6 | 0.4° | 0.3° |
| C27 | C6 | C5 | C25 | 1.3° | 0.0° |
| C27 | C6 | C5 | C4 | 179.3° | 179.7° |
| C6 | C27 | C28 | H33 | 2.0° | 0.3° |
| C11 | C22 | C7 | H31 | 180.0° | 179.7° |
| C11 | C22 | C7 | C6 | 175.1° | 179.8° |
| C22 | C11 | C12 | N1 | 154.3° | 180.0° |
| C22 | C11 | C12 | O3 | 23.8° | 0.0° |
| C22 | C11 | C10 | H12 | 180.0° | 180.0° |
| C12 | C11 | C22 | C7 | 178.4° | 180.0° |
| C11 | C12 | N1 | O3 | 178.0° | 180.0° |
| C11 | C12 | N1 | C13 | 179.5° | 179.9° |
| C11 | C12 | N1 | H1 | 0.5° | 0.3° |
| C12 | C11 | C10 | H12 | 2.9° | 0.1° |
| C12 | C11 | C22 | H31 | 1.6° | 0.3° |
| C22 | C7 | C6 | C5 | 65.5° | 75.0° |
| C7 | C6 | C5 | C25 | 173.9° | 180.0° |
| C7 | C6 | C5 | C4 | 6.7° | 0.3° |
| C6 | C7 | C22 | H31 | 4.9° | 0.1° |
| C26 | O6 | C25 | C5 | 2.0° | 0.7° |
| C26 | O6 | C25 | C24 | 178.7° | 179.4° |
| O6 | C26 | C33 | H41 | 1.1° | 0.0° |
| C12 | N1 | C13 | H1 | 180.0° | 179.8° |
| C12 | N1 | C13 | C14 | 90.2° | 180.0° |
| C12 | N1 | C13 | H13 | 149.8° | 60.0° |
| C12 | N1 | C13 | H14 | 29.8° | 60.0° |
| C13 | N1 | C12 | O3 | 2.5° | 0.0° |
| N1 | C13 | C14 | H13 | 120.0° | 120.0° |
| N1 | C13 | C14 | H14 | 120.0° | 120.0° |
| N1 | C13 | C14 | O | 174.5° | 65.1° |
| N1 | C13 | H13 | H14 | 120.1° | 120.0° |
| N1 | C13 | C14 | H15 | 65.7° | 55.0° |
| N1 | C13 | C14 | H16 | 54.6° | 174.9° |
| O3 | C12 | N1 | H1 | 177.5° | 179.8° |
| C6 | C5 | C25 | O6 | 0.3° | 0.3° |
| C6 | C5 | C25 | C4 | 179.4° | 179.7° |
| C6 | C5 | C25 | C24 | 179.5° | 179.8° |
| C6 | C5 | C4 | C3 | 178.9° | 179.7° |
| C6 | C5 | C4 | H6 | 1.0° | 0.3° |
| C13 | C14 | O | H15 | 119.9° | 120.1° |
| C13 | C14 | O | H16 | 119.9° | 120.0° |
| C13 | C14 | O | C15 | 176.3° | 180.0° |
| C14 | C13 | N1 | H1 | 89.8° | 0.2° |
| C14 | C13 | H13 | H14 | 120.0° | 120.0° |
| C13 | C14 | H15 | H16 | 120.4° | 120.0° |
| O6 | C25 | C5 | C24 | 179.3° | 179.9° |
| O6 | C25 | C5 | C4 | 179.2° | 179.9° |
| O6 | C25 | C24 | C2 | 179.8° | 180.0° |
| O6 | C25 | C24 | H32 | 0.2° | 0.1° |
| C25 | C5 | C4 | C3 | 1.7° | 0.0° |
| C5 | C25 | C24 | C2 | 0.9° | 0.1° |
| C25 | C5 | C4 | H6 | 178.3° | 180.0° |
| C5 | C25 | C24 | H32 | 179.1° | 180.0° |
| C4 | C5 | C25 | C24 | 0.1° | 0.0° |
| C5 | C4 | C3 | H6 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 2.3° | 0.0° |
| C5 | C4 | C3 | H8 | 177.7° | 180.0° |
| C14 | O | C15 | C16 | 177.9° | 180.0° |
| O | C14 | C13 | H13 | 54.5° | 55.0° |
| O | C14 | C13 | H14 | 65.5° | 175.0° |
| O | C14 | H15 | H16 | 120.4° | 119.9° |
| C14 | O | C15 | H17 | 61.7° | 60.0° |
| C14 | O | C15 | H18 | 57.6° | 60.0° |
| C25 | C24 | C2 | H32 | 180.0° | 179.9° |
| C25 | C24 | C2 | C3 | 0.3° | 0.0° |
| C25 | C24 | C2 | N | 179.0° | 179.9° |
| C4 | C3 | C2 | C24 | 1.2° | 0.0° |
| C4 | C3 | C2 | H8 | 180.0° | 179.9° |
| C4 | C3 | C2 | N | 179.5° | 180.0° |
| O | C15 | C16 | H17 | 120.4° | 120.0° |
| O | C15 | C16 | H18 | 120.3° | 119.9° |
| O | C15 | C16 | O1 | 66.7° | 65.0° |
| C15 | O | C14 | H15 | 56.5° | 59.9° |
| C15 | O | C14 | H16 | 63.8° | 60.0° |
| O | C15 | H17 | H18 | 118.9° | 119.9° |
| O | C15 | C16 | H19 | 173.2° | 55.0° |
| O | C15 | C16 | H20 | 53.3° | 175.0° |
| C24 | C2 | C3 | N | 179.3° | 180.0° |
| C24 | C2 | N | C | 1.9° | 175.3° |
| C24 | C2 | N | C1 | 179.4° | 4.6° |
| C24 | C2 | C3 | H8 | 178.8° | 179.9° |
| C3 | C2 | N | C | 177.4° | 4.6° |
| C3 | C2 | N | C1 | 0.1° | 175.4° |
| C2 | C3 | C4 | H6 | 177.8° | 180.0° |
| C3 | C2 | C24 | H32 | 179.7° | 180.0° |
| C15 | C16 | O1 | H19 | 120.1° | 120.1° |
| C15 | C16 | O1 | H20 | 120.1° | 120.0° |
| C15 | C16 | O1 | C17 | 93.2° | 180.0° |
| C16 | C15 | H17 | H18 | 118.9° | 120.1° |
| C15 | C16 | H19 | H20 | 119.8° | 119.9° |
| C2 | N | C | C1 | 177.6° | 179.9° |
| C2 | N | C1 | H3 | 180.0° | 90.0° |
| C2 | N | C1 | H4 | 60.0° | 150.0° |
| C2 | N | C1 | H5 | 60.0° | 29.9° |
| N | C2 | C3 | H8 | 0.6° | 0.1° |
| C2 | N | C | H9 | 180.0° | 55.0° |
| C2 | N | C | H10 | 60.0° | 175.1° |
| C2 | N | C | H11 | 60.0° | 65.0° |
| N | C2 | C24 | H32 | 1.0° | 0.0° |
| C16 | O1 | C17 | C18 | 167.9° | 180.0° |
| O1 | C16 | C15 | H17 | 53.6° | 54.9° |
| O1 | C16 | C15 | H18 | 172.9° | 175.0° |
| O1 | C16 | H19 | H20 | 119.7° | 120.0° |
| C16 | O1 | C17 | H21 | 72.5° | 60.0° |
| C16 | O1 | C17 | H22 | 48.3° | 60.0° |
| O1 | C17 | C18 | C19 | 60.9° | 180.0° |
| O1 | C17 | C18 | H21 | 119.6° | 120.0° |
| O1 | C17 | C18 | H22 | 119.6° | 120.0° |
| C17 | O1 | C16 | H19 | 26.9° | 60.0° |
| C17 | O1 | C16 | H20 | 146.7° | 60.0° |
| O1 | C17 | H21 | H22 | 121.0° | 120.0° |
| O1 | C17 | C18 | H23 | 178.2° | 60.0° |
| O1 | C17 | C18 | H24 | 60.1° | 60.0° |
| O2 | C21 | C20 | H29 | 120.2° | 120.0° |
| O2 | C21 | C20 | H30 | 120.2° | 120.1° |
| O2 | C21 | C20 | C19 | 179.3° | 180.0° |
| O2 | C21 | C20 | H27 | 59.8° | 60.1° |
| O2 | C21 | C20 | H28 | 58.3° | 60.0° |
| O2 | C21 | H29 | H30 | 119.5° | 120.1° |
| C21 | C20 | C19 | H27 | 121.0° | 119.9° |
| C21 | C20 | C19 | H28 | 120.9° | 120.0° |
| C21 | C20 | C19 | C18 | 178.3° | 180.0° |
| C21 | C20 | C19 | H25 | 61.2° | 60.0° |
| C21 | C20 | C19 | H26 | 57.7° | 60.0° |
| C21 | C20 | H27 | H28 | 117.0° | 120.0° |
| C20 | C21 | H29 | H30 | 119.5° | 120.0° |
| C20 | C21 | O2 | H42 | 180.0° | 180.0° |
| C20 | C19 | C18 | H25 | 120.5° | 120.0° |
| C20 | C19 | C18 | H26 | 120.5° | 120.0° |
| C20 | C19 | C18 | C17 | 179.6° | 180.0° |
| C20 | C19 | C18 | H23 | 59.4° | 60.0° |
| C20 | C19 | C18 | H24 | 58.7° | 60.0° |
| C20 | C19 | H25 | H26 | 118.4° | 120.0° |
| C19 | C20 | H27 | H28 | 117.0° | 120.0° |
| C19 | C20 | C21 | H29 | 59.1° | 60.0° |
| C19 | C20 | C21 | H30 | 60.6° | 60.0° |
| C19 | C18 | C17 | H23 | 120.9° | 120.0° |
| C19 | C18 | C17 | H24 | 120.9° | 120.0° |
| C19 | C18 | C17 | H21 | 179.5° | 60.0° |
| C19 | C18 | C17 | H22 | 58.7° | 60.0° |
| C19 | C18 | H23 | H24 | 117.0° | 119.9° |
| C18 | C19 | H25 | H26 | 118.4° | 120.0° |
| C18 | C19 | C20 | H27 | 57.3° | 60.0° |
| C18 | C19 | C20 | H28 | 60.8° | 60.1° |
| C18 | C17 | H21 | H22 | 121.1° | 120.0° |
| C17 | C18 | H23 | H24 | 117.1° | 120.0° |
| C17 | C18 | C19 | H25 | 59.1° | 60.0° |
| C17 | C18 | C19 | H26 | 59.9° | 60.0° |
| C | N | C1 | H3 | 2.4° | 90.0° |
| C | N | C1 | H4 | 122.4° | 29.9° |
| C | N | C1 | H5 | 117.6° | 150.0° |
| N | C | H9 | H10 | 120.0° | 120.1° |
| N | C | H9 | H11 | 120.0° | 120.0° |
| N | C | H10 | H11 | 120.0° | 120.0° |
| N | C1 | H3 | H4 | 120.0° | 120.0° |
| N | C1 | H3 | H5 | 120.0° | 120.0° |
| N | C1 | H4 | H5 | 120.0° | 120.0° |
| C1 | N | C | H9 | 2.4° | 125.0° |
| C1 | N | C | H10 | 117.6° | 4.9° |
| C1 | N | C | H11 | 122.4° | 115.1° |
| H1 | N1 | C13 | H13 | 30.2° | 120.2° |
| H1 | N1 | C13 | H14 | 150.2° | 119.8° |
| H2 | C9 | C10 | H12 | 2.0° | 0.0° |
| H3 | C1 | H4 | H5 | 120.0° | 120.0° |
| H6 | C4 | C3 | H8 | 2.3° | 0.1° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H13 | C13 | C14 | H15 | 174.3° | 175.0° |
| H13 | C13 | C14 | H16 | 65.4° | 65.0° |
| H14 | C13 | C14 | H15 | 54.3° | 65.0° |
| H14 | C13 | C14 | H16 | 174.6° | 55.0° |
| H17 | C15 | C16 | H19 | 66.5° | 175.0° |
| H17 | C15 | C16 | H20 | 173.7° | 65.1° |
| H18 | C15 | C16 | H19 | 52.8° | 64.9° |
| H18 | C15 | C16 | H20 | 67.0° | 55.0° |
| H21 | C17 | C18 | H23 | 58.5° | 180.0° |
| H21 | C17 | C18 | H24 | 59.6° | 60.0° |
| H22 | C17 | C18 | H23 | 62.2° | 60.0° |
| H22 | C17 | C18 | H24 | 179.7° | 180.0° |
| H23 | C18 | C19 | H25 | 180.0° | 180.0° |
| H23 | C18 | C19 | H26 | 61.1° | 60.0° |
| H24 | C18 | C19 | H25 | 61.9° | 60.1° |
| H24 | C18 | C19 | H26 | 179.2° | 180.0° |
| H25 | C19 | C20 | H27 | 177.8° | 179.9° |
| H25 | C19 | C20 | H28 | 59.7° | 60.0° |
| H26 | C19 | C20 | H27 | 63.2° | 60.0° |
| H26 | C19 | C20 | H28 | 178.7° | 180.0° |
| H27 | C20 | C21 | H29 | 180.0° | 180.0° |
| H27 | C20 | C21 | H30 | 60.4° | 60.0° |
| H28 | C20 | C21 | H29 | 61.9° | 60.0° |
| H28 | C20 | C21 | H30 | 178.5° | 179.9° |
| H29 | C21 | O2 | H42 | 59.8° | 60.0° |
| H30 | C21 | O2 | H42 | 59.8° | 60.0° |
| H33 | C28 | C29 | H34 | 0.6° | 0.0° |
| H35 | C31 | H36 | H37 | 120.0° | 120.1° |
| H38 | C32 | H39 | H40 | 120.0° | 120.0° |
