UI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C10 | doub | 1.22Å | 1.23Å | |
| C40 | C20 | doub | 1.31Å | 1.34Å | |
| C20 | C18 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| O2 | C10 | sing | 1.35Å | 1.37Å | |
| O2 | C9 | sing | 1.45Å | 1.43Å | |
| C10 | N2 | sing | 1.35Å | 1.39Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C7 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | C24 | sing | 1.53Å | 1.55Å | |
| C16 | C24 | sing | 1.53Å | 1.55Å | |
| C16 | C14 | sing | 1.51Å | 1.52Å | |
| C24 | O6 | sing | 1.45Å | 1.42Å | |
| N2 | C13 | sing | 1.40Å | 1.39Å | |
| C15 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| O6 | C28 | sing | 1.34Å | 1.34Å | |
| C19 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | C26 | sing | 1.42Å | 1.43Å | Aromatic |
| C14 | C11 | doub | 1.33Å | 1.35Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | O8 | doub | 1.21Å | 1.23Å | |
| C11 | C1 | sing | 1.47Å | 1.44Å | |
| C29 | C33 | sing | 1.53Å | 1.54Å | |
| C29 | N5 | sing | 1.47Å | 1.48Å | |
| C33 | C32 | sing | 1.54Å | 1.50Å | |
| N3 | C27 | doub | 1.31Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.57Å | 1.51Å | |
| O7 | C30 | doub | 1.22Å | 1.23Å | |
| N5 | C30 | sing | 1.34Å | 1.37Å | |
| N5 | C31 | sing | 1.46Å | 1.47Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | O1 | doub | 1.22Å | 1.23Å | |
| C30 | C5 | sing | 1.47Å | 1.44Å | |
| N1 | C12 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | doub | 1.36Å | 1.39Å | Aromatic |
| C5 | N4 | sing | 1.37Å | 1.32Å | Aromatic |
| C12 | C23 | sing | 1.51Å | 1.51Å | |
| C6 | O4 | sing | 1.35Å | 1.35Å | Aromatic |
| C23 | C34 | doub | 1.33Å | 1.35Å | |
| N4 | C4 | doub | 1.30Å | 1.30Å | Aromatic |
| O4 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C36 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | C35 | sing | 1.47Å | 1.46Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C35 | C37 | doub | 1.33Å | 1.35Å | |
| F1 | C2 | sing | 1.40Å | 1.33Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C39 | sing | 1.53Å | 1.53Å | |
| C37 | C38 | sing | 1.50Å | 1.52Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | O5 | sing | 1.43Å | 1.40Å | |
| N1 | H41 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H46 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | H42 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.08Å | 1.08Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.09Å | 1.10Å | |
| C39 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H45 | sing | 1.08Å | 1.08Å | |
| C40 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C10 | O2 | 120.8° | 120.0° |
| O3 | C10 | N2 | 125.7° | 120.0° |
| C40 | C20 | C18 | 124.5° | 120.0° |
| C40 | C20 | H46 | 117.8° | 120.0° |
| C20 | C40 | H45 | 120.0° | 120.0° |
| C20 | C40 | H44 | 120.0° | 119.9° |
| C20 | C18 | C16 | 114.8° | 109.4° |
| C18 | C20 | H46 | 117.7° | 120.0° |
| C20 | C18 | H18 | 108.1° | 109.5° |
| C20 | C18 | H17 | 108.1° | 109.4° |
| C8 | C7 | C9 | 111.5° | 109.5° |
| C8 | C7 | C24 | 112.7° | 109.5° |
| C8 | C7 | H5 | 108.1° | 109.5° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.4° | 109.5° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C10 | O2 | C9 | 124.4° | 117.0° |
| O2 | C10 | N2 | 113.5° | 120.0° |
| O2 | C9 | C7 | 113.3° | 109.4° |
| O2 | C9 | H10 | 108.5° | 109.5° |
| O2 | C9 | H9 | 108.5° | 109.5° |
| C10 | N2 | C13 | 127.7° | 120.0° |
| C10 | N2 | H42 | 116.2° | 120.0° |
| C18 | C16 | C24 | 113.0° | 109.5° |
| C18 | C16 | C14 | 116.1° | 109.5° |
| C18 | C16 | H16 | 105.8° | 109.5° |
| C16 | C18 | H18 | 108.1° | 109.5° |
| C16 | C18 | H17 | 108.1° | 109.4° |
| C9 | C7 | C24 | 108.2° | 109.4° |
| C9 | C7 | H5 | 108.1° | 109.5° |
| C7 | C9 | H10 | 108.5° | 109.5° |
| C7 | C9 | H9 | 108.5° | 109.4° |
| C7 | C24 | C16 | 118.9° | 109.5° |
| C7 | C24 | O6 | 107.4° | 109.5° |
| C24 | C7 | H5 | 108.0° | 109.5° |
| C7 | C24 | H23 | 106.7° | 109.5° |
| C24 | C16 | C14 | 109.4° | 109.4° |
| C16 | C24 | O6 | 108.7° | 109.3° |
| C16 | C24 | H23 | 106.6° | 109.5° |
| C24 | C16 | H16 | 105.7° | 109.5° |
| C16 | C14 | C11 | 127.4° | 120.0° |
| C16 | C14 | H14 | 116.3° | 119.8° |
| C14 | C16 | H16 | 106.0° | 109.5° |
| C24 | O6 | C28 | 121.5° | 116.8° |
| O6 | C24 | H23 | 108.2° | 109.5° |
| N2 | C13 | C15 | 122.2° | 119.2° |
| N2 | C13 | N3 | 114.5° | 119.2° |
| C13 | N2 | H42 | 116.1° | 120.0° |
| C13 | C15 | C17 | 118.8° | 118.5° |
| C15 | C13 | N3 | 123.3° | 121.5° |
| C13 | C15 | H15 | 120.6° | 120.7° |
| C15 | C17 | C19 | 122.3° | 122.1° |
| C15 | C17 | C26 | 118.7° | 118.3° |
| C17 | C15 | H15 | 120.6° | 120.8° |
| O6 | C28 | C29 | 110.4° | 120.7° |
| O6 | C28 | O8 | 125.4° | 119.6° |
| C17 | C19 | C21 | 120.2° | 119.5° |
| C19 | C17 | C26 | 119.0° | 119.5° |
| C17 | C19 | H19 | 119.9° | 120.3° |
| C19 | C21 | C22 | 120.7° | 121.0° |
| C19 | C21 | H20 | 119.7° | 119.5° |
| C21 | C19 | H19 | 119.9° | 120.3° |
| C13 | N3 | C27 | 117.8° | 122.7° |
| C17 | C26 | C27 | 117.0° | 118.8° |
| C17 | C26 | C25 | 119.7° | 119.3° |
| C14 | C11 | C1 | 121.7° | 120.0° |
| C14 | C11 | H11 | 119.1° | 119.9° |
| C11 | C14 | H14 | 116.3° | 120.2° |
| C21 | C22 | C25 | 120.7° | 121.1° |
| C22 | C21 | H20 | 119.6° | 119.5° |
| C21 | C22 | H21 | 119.6° | 119.5° |
| C29 | C28 | O8 | 124.1° | 119.7° |
| C28 | C29 | C33 | 110.4° | 109.8° |
| C28 | C29 | N5 | 117.5° | 109.1° |
| C28 | C29 | H26 | 108.2° | 110.1° |
| C11 | C1 | N1 | 113.2° | 120.0° |
| C11 | C1 | O1 | 123.7° | 120.0° |
| C1 | C11 | H11 | 119.2° | 120.1° |
| C33 | C29 | N5 | 103.8° | 107.9° |
| C29 | C33 | C32 | 105.3° | 105.8° |
| C33 | C29 | H26 | 107.9° | 110.2° |
| C29 | C33 | H31 | 110.5° | 110.2° |
| C29 | C33 | H32 | 110.5° | 110.2° |
| C29 | N5 | C30 | 123.1° | 123.0° |
| C29 | N5 | C31 | 109.5° | 110.5° |
| N5 | C29 | H26 | 108.6° | 109.8° |
| C33 | C32 | C31 | 101.6° | 106.0° |
| C33 | C32 | H30 | 111.4° | 109.3° |
| C33 | C32 | H29 | 111.4° | 110.7° |
| C32 | C33 | H31 | 110.5° | 110.2° |
| C32 | C33 | H32 | 110.5° | 110.2° |
| N3 | C27 | C26 | 124.3° | 120.2° |
| N3 | C27 | H25 | 117.8° | 119.9° |
| C27 | C26 | C25 | 123.3° | 122.0° |
| C26 | C27 | H25 | 117.9° | 119.9° |
| C26 | C25 | C22 | 119.8° | 119.6° |
| C26 | C25 | H24 | 120.1° | 120.2° |
| C25 | C22 | H21 | 119.7° | 119.4° |
| C22 | C25 | H24 | 120.1° | 120.2° |
| C32 | C31 | N5 | 105.3° | 107.0° |
| C32 | C31 | H27 | 110.5° | 111.5° |
| C32 | C31 | H28 | 110.5° | 109.2° |
| C31 | C32 | H30 | 111.4° | 110.2° |
| C31 | C32 | H29 | 111.4° | 110.2° |
| O7 | C30 | N5 | 122.3° | 118.9° |
| O7 | C30 | C5 | 119.3° | 120.5° |
| C30 | N5 | C31 | 127.3° | 126.5° |
| N5 | C30 | C5 | 118.4° | 120.6° |
| N5 | C31 | H27 | 110.5° | 109.7° |
| N5 | C31 | H28 | 110.5° | 109.7° |
| N1 | C1 | O1 | 123.0° | 120.1° |
| C1 | N1 | C12 | 125.3° | 120.6° |
| C1 | N1 | H41 | 117.4° | 119.7° |
| C30 | C5 | C6 | 126.6° | 128.2° |
| C30 | C5 | N4 | 125.2° | 124.8° |
| N1 | C12 | C23 | 111.8° | 110.0° |
| C12 | N1 | H41 | 117.4° | 119.7° |
| N1 | C12 | H13 | 108.9° | 109.4° |
| N1 | C12 | H12 | 108.9° | 109.4° |
| C6 | C5 | N4 | 107.8° | 106.8° |
| C5 | C6 | O4 | 108.3° | 107.0° |
| C5 | C6 | H4 | 125.8° | 126.5° |
| C5 | N4 | C4 | 106.4° | 108.3° |
| C12 | C23 | C34 | 124.9° | 119.9° |
| C23 | C12 | H13 | 108.9° | 109.4° |
| C23 | C12 | H12 | 108.9° | 109.4° |
| C12 | C23 | H22 | 117.5° | 120.1° |
| C6 | O4 | C4 | 103.0° | 108.1° |
| O4 | C6 | H4 | 125.8° | 126.5° |
| C23 | C34 | C35 | 125.2° | 119.9° |
| C34 | C23 | H22 | 117.6° | 120.0° |
| C23 | C34 | H33 | 117.4° | 120.0° |
| N4 | C4 | O4 | 113.9° | 109.6° |
| N4 | C4 | C3 | 126.3° | 124.4° |
| O4 | C4 | C3 | 119.8° | 126.0° |
| C36 | C35 | C34 | 119.9° | 120.1° |
| C36 | C35 | C37 | 122.0° | 120.1° |
| C35 | C36 | H35 | 109.5° | 109.4° |
| C35 | C36 | H34 | 109.5° | 109.5° |
| C35 | C36 | H36 | 109.5° | 109.5° |
| C34 | C35 | C37 | 118.0° | 119.8° |
| C35 | C34 | H33 | 117.4° | 120.1° |
| C4 | C3 | C2 | 112.1° | 109.2° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H2 | 108.8° | 109.5° |
| C35 | C37 | C38 | 128.4° | 120.3° |
| C35 | C37 | H37 | 115.8° | 119.5° |
| F1 | C2 | C3 | 110.7° | 109.3° |
| F1 | C2 | C39 | 110.8° | 109.4° |
| F1 | C2 | H1 | 108.7° | 109.4° |
| C3 | C2 | C39 | 114.2° | 110.0° |
| C3 | C2 | H1 | 106.0° | 109.4° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H2 | 108.8° | 109.5° |
| C2 | C39 | C38 | 112.8° | 109.5° |
| C39 | C2 | H1 | 106.1° | 109.4° |
| C2 | C39 | H39 | 108.6° | 109.4° |
| C2 | C39 | H40 | 108.6° | 109.5° |
| C37 | C38 | C39 | 114.0° | 109.9° |
| C37 | C38 | O5 | 106.8° | 109.4° |
| C38 | C37 | H37 | 115.8° | 120.2° |
| C37 | C38 | H38 | 109.1° | 109.4° |
| C39 | C38 | O5 | 107.2° | 109.4° |
| C39 | C38 | H38 | 109.0° | 109.4° |
| C38 | C39 | H39 | 108.6° | 109.5° |
| C38 | C39 | H40 | 108.6° | 109.5° |
| C38 | O5 | H43 | 109.5° | 114.0° |
| O5 | C38 | H38 | 110.8° | 109.3° |
| H8 | C8 | H7 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H3 | C3 | H2 | 109.5° | 109.6° |
| H10 | C9 | H9 | 109.5° | 109.5° |
| H13 | C12 | H12 | 109.5° | 109.2° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H27 | C31 | H28 | 109.5° | 109.6° |
| H30 | C32 | H29 | 109.4° | 110.2° |
| H31 | C33 | H32 | 109.5° | 110.2° |
| H35 | C36 | H34 | 109.5° | 109.5° |
| H35 | C36 | H36 | 109.5° | 109.5° |
| H34 | C36 | H36 | 109.5° | 109.5° |
| H39 | C39 | H40 | 109.5° | 109.4° |
| H45 | C40 | H44 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C10 | O2 | N2 | 178.4° | 180.0° |
| O3 | C10 | O2 | C9 | 178.2° | 0.0° |
| O3 | C10 | N2 | C13 | 6.7° | 4.8° |
| O3 | C10 | N2 | H42 | 173.3° | 175.1° |
| C40 | C20 | C18 | H46 | 180.0° | 180.0° |
| C40 | C20 | C18 | C16 | 127.1° | 125.0° |
| C40 | C20 | C18 | H18 | 112.1° | 115.0° |
| C40 | C20 | C18 | H17 | 6.4° | 5.1° |
| C20 | C40 | H45 | H44 | 180.0° | 180.0° |
| C20 | C18 | C16 | H18 | 120.8° | 120.0° |
| C20 | C18 | C16 | H17 | 120.8° | 119.9° |
| C20 | C18 | C16 | C24 | 165.4° | 175.0° |
| C20 | C18 | C16 | C14 | 67.1° | 65.1° |
| C20 | C18 | C16 | H16 | 50.1° | 55.0° |
| C20 | C18 | H18 | H17 | 117.6° | 120.0° |
| C18 | C20 | C40 | H45 | 180.0° | 180.0° |
| C18 | C20 | C40 | H44 | 0.0° | 0.0° |
| C8 | C7 | C9 | O2 | 53.8° | 67.6° |
| C8 | C7 | C9 | C24 | 124.5° | 120.0° |
| C8 | C7 | C9 | H5 | 118.8° | 120.0° |
| C8 | C7 | C24 | H5 | 119.4° | 120.0° |
| C8 | C7 | C24 | C16 | 49.9° | 45.2° |
| C8 | C7 | C24 | O6 | 173.8° | 74.7° |
| C7 | C8 | H8 | H7 | 120.0° | 120.0° |
| C7 | C8 | H8 | H6 | 120.0° | 120.0° |
| C7 | C8 | H7 | H6 | 120.0° | 120.0° |
| C8 | C7 | C24 | H23 | 70.4° | 165.3° |
| C8 | C7 | C9 | H10 | 66.8° | 172.4° |
| C8 | C7 | C9 | H9 | 174.3° | 52.3° |
| C10 | O2 | C9 | C7 | 152.0° | 180.0° |
| O2 | C10 | N2 | C13 | 171.6° | 175.1° |
| O2 | C10 | N2 | H42 | 8.4° | 5.0° |
| C10 | O2 | C9 | H10 | 31.4° | 60.0° |
| C10 | O2 | C9 | H9 | 87.4° | 60.0° |
| C9 | O2 | C10 | N2 | 0.2° | 180.0° |
| O2 | C9 | C7 | H10 | 120.6° | 120.0° |
| O2 | C9 | C7 | H9 | 120.5° | 119.9° |
| O2 | C9 | C7 | C24 | 178.3° | 172.4° |
| O2 | C9 | C7 | H5 | 65.0° | 52.5° |
| O2 | C9 | H10 | H9 | 118.2° | 120.0° |
| C10 | N2 | C13 | H42 | 180.0° | 179.9° |
| C10 | N2 | C13 | C15 | 44.7° | 174.7° |
| C10 | N2 | C13 | N3 | 136.1° | 5.3° |
| C18 | C16 | C24 | C7 | 64.8° | 172.1° |
| C18 | C16 | C24 | C14 | 130.9° | 120.0° |
| C18 | C16 | C24 | H16 | 115.3° | 120.0° |
| C18 | C16 | C14 | H16 | 117.1° | 120.0° |
| C18 | C16 | C24 | O6 | 58.4° | 67.9° |
| C18 | C16 | C14 | C11 | 21.0° | 118.7° |
| C16 | C18 | C20 | H46 | 52.9° | 55.0° |
| C18 | C16 | C24 | H23 | 174.8° | 52.0° |
| C18 | C16 | C14 | H14 | 158.9° | 61.8° |
| C16 | C18 | H18 | H17 | 117.5° | 120.0° |
| C9 | C7 | C24 | H5 | 116.8° | 120.0° |
| C9 | C7 | C24 | C16 | 173.7° | 74.8° |
| C9 | C7 | C24 | O6 | 62.4° | 165.4° |
| C9 | C7 | C8 | H8 | 180.0° | 55.9° |
| C9 | C7 | C8 | H7 | 60.0° | 64.0° |
| C9 | C7 | C8 | H6 | 60.0° | 175.9° |
| C9 | C7 | C24 | H23 | 53.4° | 45.3° |
| C7 | C9 | H10 | H9 | 118.3° | 120.0° |
| C7 | C24 | C16 | O6 | 123.2° | 119.9° |
| C7 | C24 | C16 | H23 | 120.4° | 120.1° |
| C7 | C24 | C16 | C14 | 164.3° | 52.2° |
| C7 | C24 | O6 | H23 | 114.8° | 120.1° |
| C7 | C24 | O6 | C28 | 127.6° | 54.6° |
| C24 | C7 | C8 | H8 | 58.1° | 175.9° |
| C24 | C7 | C8 | H7 | 178.1° | 55.9° |
| C24 | C7 | C8 | H6 | 62.0° | 64.1° |
| C24 | C7 | C9 | H10 | 57.7° | 52.4° |
| C24 | C7 | C9 | H9 | 61.2° | 67.6° |
| C7 | C24 | C16 | H16 | 50.5° | 67.8° |
| C24 | C16 | C14 | H16 | 113.6° | 120.0° |
| C16 | C24 | O6 | H23 | 115.4° | 120.0° |
| C16 | C24 | O6 | C28 | 102.6° | 174.6° |
| C24 | C16 | C14 | C11 | 108.2° | 121.4° |
| C16 | C24 | C7 | H5 | 69.4° | 165.2° |
| C24 | C16 | C14 | H14 | 71.8° | 58.2° |
| C24 | C16 | C18 | H18 | 44.6° | 55.0° |
| C24 | C16 | C18 | H17 | 73.8° | 65.1° |
| C14 | C16 | C24 | O6 | 72.5° | 172.1° |
| C16 | C14 | C11 | H14 | 180.0° | 179.6° |
| C16 | C14 | C11 | C1 | 171.2° | 179.2° |
| C14 | C16 | C24 | H23 | 43.9° | 67.9° |
| C16 | C14 | C11 | H11 | 8.8° | 0.3° |
| C14 | C16 | C18 | H18 | 172.1° | 174.9° |
| C14 | C16 | C18 | H17 | 53.7° | 54.8° |
| C24 | O6 | C28 | C29 | 173.4° | 179.3° |
| C24 | O6 | C28 | O8 | 4.5° | 0.7° |
| O6 | C24 | C7 | H5 | 54.4° | 45.4° |
| O6 | C24 | C16 | H16 | 173.7° | 52.1° |
| N2 | C13 | C15 | N3 | 179.2° | 180.0° |
| N2 | C13 | C15 | C17 | 179.6° | 180.0° |
| N2 | C13 | N3 | C27 | 179.2° | 180.0° |
| N2 | C13 | C15 | H15 | 0.4° | 0.0° |
| C13 | C15 | C17 | H15 | 180.0° | 179.9° |
| C13 | C15 | C17 | C19 | 179.9° | 180.0° |
| C13 | C15 | C17 | C26 | 0.1° | 0.1° |
| C15 | C13 | N3 | C27 | 1.6° | 0.0° |
| C15 | C13 | N2 | H42 | 135.3° | 5.4° |
| C15 | C17 | C19 | C26 | 180.0° | 179.9° |
| C15 | C17 | C19 | C21 | 179.4° | 179.9° |
| C17 | C15 | C13 | N3 | 1.2° | 0.1° |
| C15 | C17 | C26 | C27 | 0.6° | 0.1° |
| C15 | C17 | C26 | C25 | 179.5° | 180.0° |
| C15 | C17 | C19 | H19 | 0.6° | 0.0° |
| O6 | C28 | C29 | O8 | 178.0° | 179.9° |
| O6 | C28 | C29 | C33 | 78.0° | 130.8° |
| O6 | C28 | C29 | N5 | 163.3° | 111.2° |
| C28 | O6 | C24 | H23 | 12.8° | 65.4° |
| O6 | C28 | C29 | H26 | 39.9° | 9.4° |
| C17 | C19 | C21 | H19 | 180.0° | 180.0° |
| C17 | C19 | C21 | C22 | 0.1° | 0.0° |
| C19 | C17 | C26 | C27 | 179.4° | 180.0° |
| C19 | C17 | C26 | C25 | 0.5° | 0.0° |
| C19 | C17 | C15 | H15 | 0.1° | 0.0° |
| C17 | C19 | C21 | H20 | 179.9° | 179.9° |
| C21 | C19 | C17 | C26 | 0.6° | 0.0° |
| C19 | C21 | C22 | H20 | 180.0° | 179.9° |
| C19 | C21 | C22 | C25 | 0.3° | 0.1° |
| C19 | C21 | C22 | H21 | 179.7° | 180.0° |
| C13 | N3 | C27 | C26 | 0.8° | 0.0° |
| N3 | C13 | C15 | H15 | 178.8° | 180.0° |
| N3 | C13 | N2 | H42 | 43.9° | 174.6° |
| C13 | N3 | C27 | H25 | 179.2° | 180.0° |
| C17 | C26 | C27 | N3 | 0.3° | 0.0° |
| C17 | C26 | C27 | C25 | 179.9° | 180.0° |
| C17 | C26 | C25 | C22 | 0.1° | 0.0° |
| C26 | C17 | C15 | H15 | 179.9° | 180.0° |
| C26 | C17 | C19 | H19 | 179.4° | 180.0° |
| C17 | C26 | C25 | H24 | 179.9° | 180.0° |
| C17 | C26 | C27 | H25 | 179.7° | 180.0° |
| C14 | C11 | C1 | H11 | 180.0° | 179.5° |
| C14 | C11 | C1 | N1 | 162.7° | 174.9° |
| C14 | C11 | C1 | O1 | 15.0° | 5.1° |
| C11 | C14 | C16 | H16 | 138.2° | 1.4° |
| C21 | C22 | C25 | C26 | 0.4° | 0.1° |
| C21 | C22 | C25 | H21 | 180.0° | 179.9° |
| C22 | C21 | C19 | H19 | 179.8° | 180.0° |
| C21 | C22 | C25 | H24 | 179.7° | 179.9° |
| C28 | C29 | C33 | N5 | 126.8° | 118.7° |
| C28 | C29 | C33 | H26 | 118.1° | 121.4° |
| C28 | C29 | N5 | H26 | 123.2° | 120.7° |
| C28 | C29 | C33 | C32 | 151.0° | 101.8° |
| C28 | C29 | N5 | C30 | 59.4° | 75.3° |
| C28 | C29 | N5 | C31 | 123.7° | 102.7° |
| C28 | C29 | C33 | H31 | 89.6° | 139.1° |
| C28 | C29 | C33 | H32 | 31.7° | 17.2° |
| O8 | C28 | C29 | C33 | 100.0° | 49.2° |
| O8 | C28 | C29 | N5 | 18.7° | 68.8° |
| O8 | C28 | C29 | H26 | 142.2° | 170.6° |
| C11 | C1 | N1 | O1 | 177.7° | 180.0° |
| C11 | C1 | N1 | C12 | 178.2° | 0.6° |
| C11 | C1 | N1 | H41 | 1.8° | 179.7° |
| C1 | C11 | C14 | H14 | 8.8° | 0.3° |
| C33 | C29 | N5 | H26 | 114.6° | 120.1° |
| C29 | C33 | C32 | H31 | 119.3° | 119.0° |
| C29 | C33 | C32 | H32 | 119.4° | 119.1° |
| C29 | C33 | C32 | C31 | 36.7° | 11.1° |
| C33 | C29 | N5 | C30 | 178.4° | 165.5° |
| C33 | C29 | N5 | C31 | 1.6° | 16.5° |
| C29 | C33 | C32 | H30 | 82.0° | 107.7° |
| C29 | C33 | C32 | H29 | 155.5° | 130.7° |
| C29 | C33 | H31 | H32 | 122.0° | 121.8° |
| N5 | C29 | C33 | C32 | 24.3° | 16.9° |
| C29 | N5 | C31 | C32 | 21.6° | 9.1° |
| C29 | N5 | C30 | O7 | 9.2° | 19.2° |
| C29 | N5 | C30 | C31 | 176.2° | 177.6° |
| C29 | N5 | C30 | C5 | 169.4° | 160.8° |
| C29 | N5 | C31 | H27 | 140.9° | 112.1° |
| C29 | N5 | C31 | H28 | 97.8° | 127.5° |
| N5 | C29 | C33 | H31 | 143.6° | 102.2° |
| N5 | C29 | C33 | H32 | 95.1° | 136.0° |
| C33 | C32 | C31 | H30 | 118.7° | 118.2° |
| C33 | C32 | C31 | H29 | 118.7° | 119.9° |
| C33 | C32 | C31 | N5 | 35.7° | 1.7° |
| C32 | C33 | C29 | H26 | 90.9° | 136.8° |
| C33 | C32 | C31 | H27 | 155.1° | 121.7° |
| C33 | C32 | C31 | H28 | 83.6° | 117.0° |
| C33 | C32 | H30 | H29 | 123.6° | 121.9° |
| C32 | C33 | H31 | H32 | 121.9° | 121.8° |
| N3 | C27 | C26 | H25 | 180.0° | 180.0° |
| N3 | C27 | C26 | C25 | 179.8° | 180.0° |
| C27 | C26 | C25 | C22 | 179.8° | 180.0° |
| C27 | C26 | C25 | H24 | 0.2° | 0.0° |
| C26 | C25 | C22 | H24 | 180.0° | 180.0° |
| C26 | C25 | C22 | H21 | 179.6° | 180.0° |
| C25 | C26 | C27 | H25 | 0.2° | 0.0° |
| C25 | C22 | C21 | H20 | 179.7° | 180.0° |
| C32 | C31 | N5 | C30 | 155.1° | 173.0° |
| C32 | C31 | N5 | H27 | 119.4° | 121.2° |
| C32 | C31 | N5 | H28 | 119.3° | 118.4° |
| C32 | C31 | H27 | H28 | 121.9° | 121.1° |
| C31 | C32 | H30 | H29 | 123.7° | 121.9° |
| C31 | C32 | C33 | H31 | 156.0° | 107.9° |
| C31 | C32 | C33 | H32 | 82.6° | 130.3° |
| O7 | C30 | N5 | C5 | 178.6° | 180.0° |
| O7 | C30 | N5 | C31 | 167.0° | 163.1° |
| O7 | C30 | C5 | C6 | 18.0° | 155.5° |
| O7 | C30 | C5 | N4 | 153.7° | 29.2° |
| N5 | C30 | C5 | C6 | 163.3° | 24.5° |
| N5 | C30 | C5 | N4 | 24.9° | 150.8° |
| C30 | N5 | C29 | H26 | 63.8° | 45.5° |
| C30 | N5 | C31 | H27 | 35.7° | 65.8° |
| C30 | N5 | C31 | H28 | 85.6° | 54.6° |
| C31 | N5 | C30 | C5 | 14.4° | 16.9° |
| C31 | N5 | C29 | H26 | 113.1° | 136.6° |
| N5 | C31 | H27 | H28 | 121.9° | 120.5° |
| N5 | C31 | C32 | H30 | 83.0° | 116.5° |
| N5 | C31 | C32 | H29 | 154.5° | 121.6° |
| C1 | N1 | C12 | H41 | 180.0° | 179.7° |
| C1 | N1 | C12 | C23 | 126.6° | 88.4° |
| N1 | C1 | C11 | H11 | 17.3° | 4.6° |
| C1 | N1 | C12 | H13 | 113.1° | 151.4° |
| C1 | N1 | C12 | H12 | 6.3° | 31.8° |
| O1 | C1 | N1 | C12 | 0.6° | 179.4° |
| O1 | C1 | N1 | H41 | 179.5° | 0.3° |
| O1 | C1 | C11 | H11 | 165.0° | 175.4° |
| C30 | C5 | C6 | N4 | 172.9° | 176.0° |
| C30 | C5 | C6 | O4 | 178.7° | 174.3° |
| C30 | C5 | N4 | C4 | 179.5° | 172.6° |
| C30 | C5 | C6 | H4 | 1.3° | 5.7° |
| N1 | C12 | C23 | H13 | 120.3° | 120.2° |
| N1 | C12 | C23 | H12 | 120.3° | 120.2° |
| N1 | C12 | C23 | C34 | 126.4° | 162.6° |
| N1 | C12 | H13 | H12 | 118.9° | 119.7° |
| N1 | C12 | C23 | H22 | 53.7° | 17.2° |
| C5 | C6 | O4 | H4 | 180.0° | 180.0° |
| C6 | C5 | N4 | C4 | 7.4° | 3.6° |
| C5 | C6 | O4 | C4 | 1.7° | 0.7° |
| N4 | C5 | C6 | O4 | 5.8° | 1.7° |
| C5 | N4 | C4 | O4 | 6.8° | 4.1° |
| C5 | N4 | C4 | C3 | 175.1° | 177.0° |
| N4 | C5 | C6 | H4 | 174.2° | 178.3° |
| C12 | C23 | C34 | H22 | 180.0° | 179.8° |
| C12 | C23 | C34 | C35 | 177.1° | 180.0° |
| C23 | C12 | N1 | H41 | 53.4° | 91.3° |
| C23 | C12 | H13 | H12 | 119.0° | 119.7° |
| C12 | C23 | C34 | H33 | 2.9° | 0.0° |
| C6 | O4 | C4 | N4 | 3.1° | 3.0° |
| C6 | O4 | C4 | C3 | 178.6° | 178.1° |
| C23 | C34 | C35 | C36 | 6.0° | 5.0° |
| C23 | C34 | C35 | H33 | 180.0° | 179.9° |
| C23 | C34 | C35 | C37 | 176.5° | 175.2° |
| C34 | C23 | C12 | H13 | 113.3° | 77.2° |
| C34 | C23 | C12 | H12 | 6.0° | 42.4° |
| N4 | C4 | O4 | C3 | 178.3° | 178.9° |
| N4 | C4 | C3 | C2 | 25.9° | 54.7° |
| N4 | C4 | C3 | H3 | 94.5° | 65.2° |
| N4 | C4 | C3 | H2 | 146.3° | 174.6° |
| O4 | C4 | C3 | C2 | 156.0° | 126.6° |
| C4 | O4 | C6 | H4 | 178.3° | 179.3° |
| O4 | C4 | C3 | H3 | 83.6° | 113.5° |
| O4 | C4 | C3 | H2 | 35.6° | 6.7° |
| C36 | C35 | C34 | C37 | 177.5° | 179.8° |
| C36 | C35 | C37 | C38 | 1.6° | 0.6° |
| C36 | C35 | C34 | H33 | 174.0° | 175.1° |
| C35 | C36 | H35 | H34 | 120.0° | 119.9° |
| C35 | C36 | H35 | H36 | 120.0° | 120.0° |
| C35 | C36 | H34 | H36 | 120.0° | 120.1° |
| C36 | C35 | C37 | H37 | 178.4° | 178.9° |
| C34 | C35 | C37 | C38 | 179.0° | 179.6° |
| C35 | C34 | C23 | H22 | 2.9° | 0.1° |
| C34 | C35 | C36 | H35 | 180.0° | 32.8° |
| C34 | C35 | C36 | H34 | 60.0° | 152.7° |
| C34 | C35 | C36 | H36 | 60.0° | 87.2° |
| C34 | C35 | C37 | H37 | 1.0° | 0.9° |
| C4 | C3 | C2 | F1 | 80.3° | 112.5° |
| C4 | C3 | C2 | H3 | 120.4° | 119.9° |
| C4 | C3 | C2 | H2 | 120.4° | 119.9° |
| C4 | C3 | C2 | C39 | 153.8° | 127.5° |
| C4 | C3 | C2 | H1 | 37.3° | 7.3° |
| C4 | C3 | H3 | H2 | 118.8° | 120.1° |
| C35 | C37 | C38 | H37 | 180.0° | 179.5° |
| C35 | C37 | C38 | C39 | 107.0° | 135.4° |
| C35 | C37 | C38 | O5 | 134.9° | 104.4° |
| C37 | C35 | C34 | H33 | 3.5° | 4.7° |
| C37 | C35 | C36 | H35 | 2.6° | 147.1° |
| C37 | C35 | C36 | H34 | 117.4° | 27.1° |
| C37 | C35 | C36 | H36 | 122.6° | 92.9° |
| C35 | C37 | C38 | H38 | 15.1° | 15.3° |
| F1 | C2 | C3 | C39 | 125.9° | 120.1° |
| F1 | C2 | C3 | H1 | 117.6° | 119.7° |
| F1 | C2 | C39 | H1 | 117.8° | 119.7° |
| F1 | C2 | C39 | C38 | 68.1° | 48.8° |
| F1 | C2 | C3 | H3 | 159.3° | 127.6° |
| F1 | C2 | C3 | H2 | 40.1° | 7.4° |
| F1 | C2 | C39 | H39 | 171.4° | 168.8° |
| F1 | C2 | C39 | H40 | 52.4° | 71.3° |
| C3 | C2 | C39 | H1 | 116.4° | 120.2° |
| C3 | C2 | C39 | C38 | 166.1° | 168.9° |
| C2 | C3 | H3 | H2 | 118.8° | 120.2° |
| C3 | C2 | C39 | H39 | 45.6° | 71.1° |
| C3 | C2 | C39 | H40 | 73.4° | 48.8° |
| C2 | C39 | C38 | C37 | 65.4° | 104.5° |
| C2 | C39 | C38 | H39 | 120.5° | 120.0° |
| C2 | C39 | C38 | H40 | 120.5° | 120.1° |
| C2 | C39 | C38 | O5 | 176.6° | 135.3° |
| C39 | C2 | C3 | H3 | 33.4° | 7.6° |
| C39 | C2 | C3 | H2 | 85.8° | 112.7° |
| C2 | C39 | C38 | H38 | 56.7° | 15.6° |
| C2 | C39 | H39 | H40 | 118.5° | 120.0° |
| C37 | C38 | C39 | O5 | 117.9° | 120.2° |
| C37 | C38 | C39 | H38 | 122.1° | 120.1° |
| C37 | C38 | O5 | H38 | 118.7° | 119.8° |
| C37 | C38 | O5 | H43 | 180.0° | 59.9° |
| C37 | C38 | C39 | H39 | 55.1° | 15.5° |
| C37 | C38 | C39 | H40 | 174.1° | 135.4° |
| C39 | C38 | O5 | H38 | 118.8° | 119.8° |
| C38 | C39 | C2 | H1 | 49.7° | 70.9° |
| C39 | C38 | O5 | H43 | 57.5° | 179.6° |
| C39 | C38 | C37 | H37 | 73.1° | 45.1° |
| C38 | C39 | H39 | H40 | 118.5° | 120.0° |
| O5 | C38 | C37 | H37 | 45.1° | 75.1° |
| O5 | C38 | C39 | H39 | 62.9° | 104.7° |
| O5 | C38 | C39 | H40 | 56.1° | 15.3° |
| H41 | N1 | C12 | H13 | 66.9° | 28.8° |
| H41 | N1 | C12 | H12 | 173.8° | 148.5° |
| H5 | C7 | C8 | H8 | 61.2° | 64.1° |
| H5 | C7 | C8 | H7 | 58.8° | 175.9° |
| H5 | C7 | C8 | H6 | 178.7° | 55.9° |
| H5 | C7 | C24 | H23 | 170.2° | 74.7° |
| H5 | C7 | C9 | H10 | 174.4° | 67.6° |
| H5 | C7 | C9 | H9 | 55.6° | 172.4° |
| H8 | C8 | H7 | H6 | 120.0° | 120.0° |
| H46 | C20 | C18 | H18 | 67.9° | 65.0° |
| H46 | C20 | C18 | H17 | 173.7° | 175.0° |
| H46 | C20 | C40 | H45 | 0.0° | 0.0° |
| H46 | C20 | C40 | H44 | 180.0° | 180.0° |
| H20 | C21 | C22 | H21 | 0.4° | 0.1° |
| H20 | C21 | C19 | H19 | 0.1° | 0.1° |
| H21 | C22 | C25 | H24 | 0.3° | 0.0° |
| H23 | C24 | C16 | H16 | 69.9° | 172.1° |
| H1 | C2 | C3 | H3 | 83.1° | 112.6° |
| H1 | C2 | C3 | H2 | 157.7° | 127.1° |
| H1 | C2 | C39 | H39 | 70.8° | 49.1° |
| H1 | C2 | C39 | H40 | 170.2° | 169.0° |
| H43 | O5 | C38 | H38 | 61.3° | 59.8° |
| H11 | C11 | C14 | H14 | 171.2° | 179.8° |
| H13 | C12 | C23 | H22 | 66.7° | 102.9° |
| H12 | C12 | C23 | H22 | 174.0° | 137.4° |
| H14 | C14 | C16 | H16 | 41.8° | 178.2° |
| H16 | C16 | C18 | H18 | 70.7° | 65.0° |
| H16 | C16 | C18 | H17 | 170.9° | 174.9° |
| H22 | C23 | C34 | H33 | 177.1° | 179.8° |
| H26 | C29 | C33 | H31 | 28.4° | 17.7° |
| H26 | C29 | C33 | H32 | 149.7° | 104.2° |
| H27 | C31 | C32 | H30 | 36.3° | 3.5° |
| H27 | C31 | C32 | H29 | 86.2° | 118.5° |
| H28 | C31 | C32 | H30 | 157.7° | 124.8° |
| H28 | C31 | C32 | H29 | 35.1° | 2.9° |
| H30 | C32 | C33 | H31 | 37.3° | 133.3° |
| H30 | C32 | C33 | H32 | 158.6° | 11.4° |
| H29 | C32 | C33 | H31 | 85.2° | 11.6° |
| H29 | C32 | C33 | H32 | 36.1° | 110.2° |
| H35 | C36 | H34 | H36 | 120.0° | 120.0° |
| H37 | C37 | C38 | H38 | 164.9° | 165.2° |
| H38 | C38 | C39 | H39 | 177.2° | 135.6° |
| H38 | C38 | C39 | H40 | 63.8° | 104.5° |
