IUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C35 | sing | 1.40Å | 1.33Å | |
| F4 | C35 | sing | 1.40Å | 1.33Å | |
| C35 | F3 | sing | 1.40Å | 1.33Å | |
| C35 | C29 | sing | 1.53Å | 1.53Å | |
| O3 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.54Å | 1.53Å | |
| C29 | C31 | sing | 1.54Å | 1.53Å | |
| C30 | C28 | sing | 1.54Å | 1.54Å | |
| C31 | C28 | sing | 1.54Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | O2 | doub | 1.21Å | 1.21Å | |
| C27 | N1 | sing | 1.35Å | 1.37Å | |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.49Å | |
| C2 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.40Å | 1.43Å | |
| C7 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C14 | sing | 1.46Å | 1.47Å | |
| C24 | C32 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | O4 | sing | 1.43Å | 1.45Å | |
| C32 | C34 | sing | 1.53Å | 1.52Å | |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C10 | sing | 1.53Å | 1.54Å | |
| C16 | C10 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C8 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | C17 | sing | 1.51Å | 1.51Å | |
| C17 | N3 | doub | 1.30Å | 1.30Å | Aromatic |
| C17 | N2 | sing | 1.35Å | 1.37Å | Aromatic |
| N3 | O1 | sing | 1.21Å | 1.42Å | Aromatic |
| N2 | C18 | doub | 1.31Å | 1.28Å | Aromatic |
| O1 | C18 | sing | 1.34Å | 1.34Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| F1 | C19 | sing | 1.40Å | 1.41Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C34 | H39 | sing | 1.09Å | 1.10Å | |
| C34 | H41 | sing | 1.09Å | 1.10Å | |
| C34 | H40 | sing | 1.09Å | 1.10Å | |
| C33 | H38 | sing | 1.09Å | 1.10Å | |
| C33 | H36 | sing | 1.09Å | 1.10Å | |
| C33 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| O3 | H34 | sing | 0.97Å | 0.95Å | |
| O4 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C35 | F4 | 106.8° | 109.5° |
| F2 | C35 | F3 | 106.8° | 109.5° |
| F2 | C35 | C29 | 112.1° | 109.5° |
| F4 | C35 | F3 | 106.7° | 109.5° |
| F4 | C35 | C29 | 112.0° | 109.4° |
| F3 | C35 | C29 | 112.1° | 109.5° |
| C35 | C29 | O3 | 107.3° | 112.9° |
| C35 | C29 | C30 | 117.1° | 113.6° |
| C35 | C29 | C31 | 117.9° | 113.6° |
| O3 | C29 | C30 | 110.3° | 113.6° |
| O3 | C29 | C31 | 113.6° | 113.6° |
| C29 | O3 | H34 | 109.5° | 114.0° |
| C30 | C29 | C31 | 90.0° | 87.1° |
| C29 | C30 | C28 | 89.6° | 87.1° |
| C29 | C30 | H31 | 114.2° | 113.6° |
| C29 | C30 | H30 | 114.2° | 113.6° |
| C29 | C31 | C28 | 89.4° | 87.0° |
| C29 | C31 | H33 | 114.2° | 113.6° |
| C29 | C31 | H32 | 114.2° | 113.6° |
| C30 | C28 | C31 | 88.8° | 87.2° |
| C30 | C28 | C27 | 115.1° | 113.6° |
| C30 | C28 | H29 | 111.0° | 113.6° |
| C28 | C30 | H31 | 114.2° | 113.6° |
| C28 | C30 | H30 | 114.2° | 113.6° |
| C31 | C28 | C27 | 117.7° | 113.6° |
| C31 | C28 | H29 | 110.9° | 113.6° |
| C28 | C31 | H33 | 114.2° | 113.7° |
| C28 | C31 | H32 | 114.2° | 113.6° |
| C28 | C27 | O2 | 120.3° | 120.0° |
| C28 | C27 | N1 | 118.8° | 120.0° |
| C27 | C28 | H29 | 111.5° | 112.9° |
| C25 | C26 | C7 | 121.2° | 119.8° |
| C26 | C25 | C24 | 121.2° | 120.1° |
| C26 | C25 | H27 | 119.4° | 120.0° |
| C25 | C26 | H28 | 119.4° | 120.1° |
| C26 | C7 | C2 | 121.4° | 120.1° |
| C26 | C7 | C22 | 117.5° | 119.8° |
| C7 | C26 | H28 | 119.4° | 120.1° |
| C33 | C32 | C24 | 112.0° | 109.5° |
| C33 | C32 | O4 | 106.6° | 109.5° |
| C33 | C32 | C34 | 110.6° | 109.5° |
| C32 | C33 | H38 | 109.5° | 109.4° |
| C32 | C33 | H36 | 109.5° | 109.5° |
| C32 | C33 | H37 | 109.5° | 109.4° |
| C25 | C24 | C32 | 121.1° | 119.9° |
| C25 | C24 | C23 | 117.7° | 120.2° |
| C24 | C25 | H27 | 119.4° | 119.9° |
| C3 | C4 | C5 | 120.6° | 120.2° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C4 | C3 | H2 | 119.6° | 120.0° |
| C3 | C4 | H3 | 119.7° | 119.9° |
| C4 | C5 | C6 | 119.6° | 120.2° |
| C5 | C4 | H3 | 119.7° | 119.9° |
| C4 | C5 | H4 | 120.2° | 119.9° |
| O2 | C27 | N1 | 120.8° | 120.0° |
| C27 | N1 | C6 | 124.3° | 120.0° |
| C27 | N1 | C14 | 118.3° | 120.0° |
| C3 | C2 | C7 | 121.3° | 120.1° |
| C3 | C2 | C1 | 118.5° | 119.8° |
| C2 | C3 | H2 | 119.6° | 120.0° |
| C5 | C6 | C1 | 120.1° | 120.0° |
| C5 | C6 | N1 | 120.0° | 120.0° |
| C6 | C5 | H4 | 120.2° | 119.9° |
| C7 | C2 | C1 | 120.2° | 120.1° |
| C2 | C7 | C22 | 121.1° | 120.1° |
| C2 | C1 | C6 | 120.4° | 119.8° |
| C2 | C1 | H1 | 119.8° | 120.1° |
| C1 | C6 | N1 | 119.8° | 120.0° |
| C6 | C1 | H1 | 119.8° | 120.1° |
| C6 | N1 | C14 | 117.3° | 120.0° |
| C7 | C22 | C23 | 121.3° | 119.9° |
| C7 | C22 | H25 | 119.4° | 120.1° |
| N1 | C14 | C10 | 118.3° | 109.5° |
| N1 | C14 | H13 | 107.2° | 109.4° |
| N1 | C14 | H14 | 107.2° | 109.5° |
| C32 | C24 | C23 | 121.1° | 119.9° |
| C24 | C32 | O4 | 110.4° | 109.5° |
| C24 | C32 | C34 | 109.9° | 109.5° |
| C24 | C23 | C22 | 121.2° | 120.1° |
| C24 | C23 | H26 | 119.4° | 120.0° |
| O4 | C32 | C34 | 107.2° | 109.5° |
| C32 | O4 | H35 | 109.5° | 114.0° |
| C32 | C34 | H39 | 109.5° | 109.5° |
| C32 | C34 | H41 | 109.5° | 109.4° |
| C32 | C34 | H40 | 109.5° | 109.4° |
| C23 | C22 | H25 | 119.4° | 120.0° |
| C22 | C23 | H26 | 119.4° | 119.9° |
| C14 | C10 | C16 | 111.0° | 109.5° |
| C14 | C10 | C11 | 110.0° | 109.5° |
| C14 | C10 | C9 | 110.0° | 109.5° |
| C10 | C14 | H13 | 107.2° | 109.5° |
| C10 | C14 | H14 | 107.2° | 109.5° |
| C10 | C16 | C15 | 110.3° | 109.5° |
| C16 | C10 | C11 | 108.5° | 109.5° |
| C16 | C10 | C9 | 108.6° | 109.4° |
| C10 | C16 | H18 | 109.3° | 109.4° |
| C10 | C16 | H17 | 109.3° | 109.4° |
| C16 | C15 | C13 | 110.7° | 109.5° |
| C15 | C16 | H18 | 109.2° | 109.5° |
| C15 | C16 | H17 | 109.3° | 109.5° |
| C16 | C15 | H15 | 109.2° | 109.5° |
| C16 | C15 | H16 | 109.2° | 109.5° |
| C11 | C10 | C9 | 108.6° | 109.5° |
| C10 | C11 | C12 | 110.6° | 109.5° |
| C10 | C11 | H10 | 109.2° | 109.5° |
| C10 | C11 | H9 | 109.2° | 109.5° |
| C10 | C9 | C8 | 110.4° | 109.5° |
| C10 | C9 | H8 | 109.2° | 109.5° |
| C10 | C9 | H7 | 109.2° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.5° |
| C12 | C11 | H10 | 109.2° | 109.4° |
| C12 | C11 | H9 | 109.2° | 109.5° |
| C11 | C12 | H12 | 109.2° | 109.5° |
| C11 | C12 | H11 | 109.2° | 109.5° |
| C9 | C8 | C13 | 110.6° | 109.5° |
| C9 | C8 | H5 | 109.2° | 109.5° |
| C9 | C8 | H6 | 109.2° | 109.5° |
| C8 | C9 | H8 | 109.2° | 109.5° |
| C8 | C9 | H7 | 109.2° | 109.5° |
| C15 | C13 | C12 | 108.7° | 109.4° |
| C15 | C13 | C8 | 108.0° | 109.5° |
| C15 | C13 | C17 | 108.8° | 109.5° |
| C13 | C15 | H15 | 109.2° | 109.4° |
| C13 | C15 | H16 | 109.2° | 109.4° |
| C12 | C13 | C8 | 107.7° | 109.5° |
| C12 | C13 | C17 | 110.6° | 109.5° |
| C13 | C12 | H12 | 109.2° | 109.5° |
| C13 | C12 | H11 | 109.2° | 109.4° |
| C8 | C13 | C17 | 112.9° | 109.5° |
| C13 | C8 | H5 | 109.2° | 109.5° |
| C13 | C8 | H6 | 109.2° | 109.5° |
| C13 | C17 | N3 | 122.0° | 126.3° |
| C13 | C17 | N2 | 123.5° | 126.3° |
| N3 | C17 | N2 | 114.4° | 107.4° |
| C17 | N3 | O1 | 103.3° | 110.3° |
| C17 | N2 | C18 | 102.6° | 105.6° |
| N3 | O1 | C18 | 105.6° | 109.8° |
| N2 | C18 | O1 | 113.9° | 106.9° |
| N2 | C18 | C19 | 130.9° | 126.5° |
| O1 | C18 | C19 | 115.1° | 126.6° |
| C18 | C19 | C21 | 108.8° | 109.5° |
| C18 | C19 | F1 | 109.0° | 109.5° |
| C18 | C19 | C20 | 112.3° | 109.4° |
| C21 | C19 | F1 | 108.8° | 109.5° |
| C21 | C19 | C20 | 109.2° | 109.5° |
| C19 | C21 | H22 | 109.5° | 109.5° |
| C19 | C21 | H23 | 109.5° | 109.4° |
| C19 | C21 | H24 | 109.5° | 109.5° |
| F1 | C19 | C20 | 108.7° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.5° |
| C19 | C20 | H19 | 109.5° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| H18 | C16 | H17 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H21 | C20 | H19 | 109.5° | 109.4° |
| H21 | C20 | H20 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.4° | 109.4° |
| H22 | C21 | H23 | 109.5° | 109.6° |
| H22 | C21 | H24 | 109.4° | 109.4° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H10 | C11 | H9 | 109.5° | 109.5° |
| H12 | C12 | H11 | 109.4° | 109.4° |
| H39 | C34 | H41 | 109.5° | 109.5° |
| H39 | C34 | H40 | 109.4° | 109.5° |
| H41 | C34 | H40 | 109.5° | 109.5° |
| H38 | C33 | H36 | 109.5° | 109.5° |
| H38 | C33 | H37 | 109.4° | 109.5° |
| H36 | C33 | H37 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C9 | H7 | 109.5° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H31 | C30 | H30 | 109.4° | 112.9° |
| H33 | C31 | H32 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C35 | F4 | F3 | 113.9° | 120.0° |
| F2 | C35 | F4 | C29 | 123.1° | 120.0° |
| F2 | C35 | F3 | C29 | 123.1° | 120.0° |
| F2 | C35 | C29 | O3 | 27.6° | 168.7° |
| F2 | C35 | C29 | C30 | 96.9° | 60.0° |
| F2 | C35 | C29 | C31 | 157.4° | 37.5° |
| F4 | C35 | F3 | C29 | 122.9° | 120.0° |
| F4 | C35 | C29 | O3 | 92.4° | 48.8° |
| F4 | C35 | C29 | C30 | 143.1° | 180.0° |
| F4 | C35 | C29 | C31 | 37.4° | 82.5° |
| F3 | C35 | C29 | O3 | 147.7° | 71.3° |
| F3 | C35 | C29 | C30 | 23.1° | 60.0° |
| F3 | C35 | C29 | C31 | 82.5° | 157.5° |
| C35 | C29 | O3 | C30 | 128.6° | 131.2° |
| C35 | C29 | O3 | C31 | 132.1° | 131.3° |
| C35 | C29 | C30 | C31 | 121.7° | 114.6° |
| C35 | C29 | C30 | C28 | 110.3° | 140.0° |
| C35 | C29 | C31 | C28 | 109.7° | 139.9° |
| C35 | C29 | C30 | H31 | 133.2° | 25.5° |
| C35 | C29 | C30 | H30 | 6.2° | 105.4° |
| C35 | C29 | C31 | H33 | 6.8° | 105.5° |
| C35 | C29 | C31 | H32 | 133.9° | 25.4° |
| C35 | C29 | O3 | H34 | 180.0° | 48.8° |
| O3 | C29 | C30 | C31 | 115.3° | 114.5° |
| O3 | C29 | C30 | C28 | 126.6° | 89.1° |
| O3 | C29 | C31 | C28 | 123.5° | 89.1° |
| O3 | C29 | C30 | H31 | 10.1° | 156.4° |
| O3 | C29 | C30 | H30 | 116.9° | 25.5° |
| O3 | C29 | C31 | H33 | 120.0° | 25.5° |
| O3 | C29 | C31 | H32 | 7.1° | 156.4° |
| C29 | C30 | C28 | H31 | 116.5° | 114.5° |
| C29 | C30 | C28 | H30 | 116.5° | 114.5° |
| C30 | C29 | C31 | C28 | 11.3° | 25.4° |
| C29 | C30 | C28 | C27 | 131.5° | 89.1° |
| C29 | C30 | C28 | H29 | 100.7° | 140.0° |
| C29 | C30 | H31 | H30 | 129.4° | 131.2° |
| C30 | C29 | C31 | H33 | 127.8° | 140.0° |
| C30 | C29 | C31 | H32 | 105.1° | 89.1° |
| C30 | C29 | O3 | H34 | 51.4° | 180.0° |
| C29 | C31 | C28 | H33 | 116.5° | 114.5° |
| C29 | C31 | C28 | H32 | 116.5° | 114.5° |
| C29 | C31 | C28 | C27 | 129.1° | 89.2° |
| C29 | C31 | C28 | H29 | 100.8° | 140.0° |
| C31 | C29 | C30 | H31 | 105.2° | 89.1° |
| C31 | C29 | C30 | H30 | 127.8° | 140.0° |
| C29 | C31 | H33 | H32 | 129.5° | 131.2° |
| C31 | C29 | O3 | H34 | 47.9° | 82.5° |
| C30 | C28 | C31 | C27 | 117.9° | 114.6° |
| C30 | C28 | C31 | H29 | 112.0° | 114.6° |
| C30 | C28 | C27 | H29 | 127.5° | 131.2° |
| C30 | C28 | C27 | O2 | 110.7° | 5.5° |
| C30 | C28 | C27 | N1 | 66.7° | 174.5° |
| C28 | C30 | H31 | H30 | 129.4° | 131.3° |
| C30 | C28 | C31 | H33 | 127.7° | 139.9° |
| C30 | C28 | C31 | H32 | 105.2° | 89.1° |
| C31 | C28 | C27 | H29 | 129.8° | 131.2° |
| C31 | C28 | C27 | O2 | 8.0° | 103.1° |
| C31 | C28 | C27 | N1 | 169.3° | 76.9° |
| C31 | C28 | C30 | H31 | 105.2° | 89.0° |
| C31 | C28 | C30 | H30 | 127.8° | 140.0° |
| C28 | C31 | H33 | H32 | 129.5° | 131.3° |
| C28 | C27 | O2 | N1 | 177.3° | 180.0° |
| C28 | C27 | N1 | C6 | 4.5° | 4.8° |
| C28 | C27 | N1 | C14 | 177.8° | 175.2° |
| C27 | C28 | C30 | H31 | 15.0° | 156.4° |
| C27 | C28 | C30 | H30 | 112.0° | 25.4° |
| C27 | C28 | C31 | H33 | 114.4° | 25.3° |
| C27 | C28 | C31 | H32 | 12.7° | 156.3° |
| C25 | C26 | C7 | H28 | 180.0° | 179.2° |
| C26 | C25 | C24 | H27 | 180.0° | 179.5° |
| C25 | C26 | C7 | C2 | 176.6° | 179.4° |
| C25 | C26 | C7 | C22 | 1.5° | 0.5° |
| C26 | C25 | C24 | C32 | 175.6° | 179.5° |
| C26 | C25 | C24 | C23 | 0.9° | 0.5° |
| C7 | C26 | C25 | C24 | 0.4° | 0.8° |
| C26 | C7 | C2 | C3 | 36.6° | 180.0° |
| C26 | C7 | C2 | C22 | 178.0° | 180.0° |
| C26 | C7 | C2 | C1 | 145.1° | 0.0° |
| C26 | C7 | C22 | C23 | 1.3° | 0.0° |
| C26 | C7 | C22 | H25 | 178.7° | 179.7° |
| C7 | C26 | C25 | H27 | 179.6° | 179.7° |
| C33 | C32 | C24 | C25 | 42.5° | 30.0° |
| C33 | C32 | C24 | O4 | 118.7° | 120.0° |
| C33 | C32 | C24 | C34 | 123.3° | 120.0° |
| C33 | C32 | C24 | C23 | 141.2° | 150.0° |
| C33 | C32 | O4 | C34 | 118.4° | 120.0° |
| C33 | C32 | C34 | H39 | 180.0° | 60.0° |
| C33 | C32 | C34 | H41 | 60.0° | 60.0° |
| C33 | C32 | C34 | H40 | 60.0° | 180.0° |
| C32 | C33 | H38 | H36 | 120.0° | 120.0° |
| C32 | C33 | H38 | H37 | 120.0° | 119.9° |
| C32 | C33 | H36 | H37 | 120.0° | 120.0° |
| C33 | C32 | O4 | H35 | 180.0° | 60.0° |
| C25 | C24 | C32 | C23 | 176.4° | 180.0° |
| C25 | C24 | C32 | O4 | 161.1° | 150.0° |
| C25 | C24 | C32 | C34 | 80.9° | 90.0° |
| C25 | C24 | C23 | C22 | 1.1° | 0.1° |
| C25 | C24 | C23 | H26 | 178.9° | 179.9° |
| C24 | C25 | C26 | H28 | 179.6° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.2° |
| C4 | C3 | C2 | C7 | 179.3° | 180.0° |
| C4 | C3 | C2 | C1 | 0.9° | 0.0° |
| C3 | C4 | C5 | H4 | 179.1° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 1.4° | 0.4° |
| C4 | C5 | C6 | N1 | 176.1° | 180.0° |
| C5 | C4 | C3 | H2 | 179.7° | 180.0° |
| O2 | C27 | N1 | C6 | 172.9° | 175.2° |
| O2 | C27 | N1 | C14 | 4.9° | 4.8° |
| O2 | C27 | C28 | H29 | 121.8° | 125.7° |
| C27 | N1 | C6 | C5 | 115.6° | 61.3° |
| C27 | N1 | C6 | C1 | 66.8° | 118.3° |
| C27 | N1 | C6 | C14 | 177.8° | 180.0° |
| C27 | N1 | C14 | C10 | 95.7° | 90.0° |
| C27 | N1 | C14 | H13 | 25.5° | 150.0° |
| C27 | N1 | C14 | H14 | 143.0° | 30.0° |
| N1 | C27 | C28 | H29 | 60.9° | 54.3° |
| C3 | C2 | C7 | C1 | 178.3° | 180.0° |
| C3 | C2 | C1 | C6 | 0.4° | 0.2° |
| C3 | C2 | C7 | C22 | 141.4° | 0.0° |
| C3 | C2 | C1 | H1 | 179.6° | 180.0° |
| C2 | C3 | C4 | H3 | 179.7° | 180.0° |
| C5 | C6 | C1 | C2 | 0.8° | 0.4° |
| C5 | C6 | C1 | N1 | 177.6° | 179.6° |
| C5 | C6 | N1 | C14 | 62.1° | 118.7° |
| C5 | C6 | C1 | H1 | 179.2° | 179.8° |
| C6 | C5 | C4 | H3 | 179.1° | 179.8° |
| C7 | C2 | C1 | C6 | 178.8° | 179.8° |
| C2 | C7 | C22 | C23 | 176.8° | 180.0° |
| C2 | C7 | C22 | H25 | 3.2° | 0.3° |
| C7 | C2 | C1 | H1 | 1.3° | 0.0° |
| C7 | C2 | C3 | H2 | 0.7° | 0.0° |
| C2 | C7 | C26 | H28 | 3.5° | 0.2° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | N1 | 176.8° | 180.0° |
| C1 | C2 | C7 | C22 | 36.9° | 180.0° |
| C1 | C2 | C3 | H2 | 179.1° | 180.0° |
| C1 | C6 | N1 | C14 | 115.4° | 61.8° |
| C1 | C6 | C5 | H4 | 178.6° | 179.7° |
| C6 | N1 | C14 | C10 | 86.4° | 90.0° |
| N1 | C6 | C1 | H1 | 3.2° | 0.2° |
| N1 | C6 | C5 | H4 | 3.9° | 0.1° |
| C6 | N1 | C14 | H13 | 152.4° | 30.0° |
| C6 | N1 | C14 | H14 | 34.9° | 150.0° |
| C7 | C22 | C23 | C24 | 0.0° | 0.3° |
| C7 | C22 | C23 | H25 | 180.0° | 179.7° |
| C7 | C22 | C23 | H26 | 180.0° | 179.7° |
| C22 | C7 | C26 | H28 | 178.5° | 179.7° |
| N1 | C14 | C10 | H13 | 121.3° | 120.0° |
| N1 | C14 | C10 | H14 | 121.3° | 120.0° |
| N1 | C14 | C10 | C16 | 44.6° | 180.0° |
| N1 | C14 | C10 | C11 | 75.6° | 60.0° |
| N1 | C14 | C10 | C9 | 164.8° | 60.0° |
| N1 | C14 | H13 | H14 | 116.0° | 120.0° |
| C24 | C32 | O4 | C34 | 119.6° | 120.0° |
| C32 | C24 | C23 | C22 | 175.4° | 180.0° |
| C32 | C24 | C23 | H26 | 4.6° | 0.0° |
| C24 | C32 | C34 | H39 | 55.9° | 60.0° |
| C24 | C32 | C34 | H41 | 64.2° | 180.0° |
| C24 | C32 | C34 | H40 | 175.8° | 60.1° |
| C24 | C32 | C33 | H38 | 180.0° | 60.0° |
| C24 | C32 | C33 | H36 | 60.0° | 180.0° |
| C24 | C32 | C33 | H37 | 60.0° | 60.0° |
| C32 | C24 | C25 | H27 | 4.4° | 0.0° |
| C24 | C32 | O4 | H35 | 58.1° | 180.0° |
| C23 | C24 | C32 | O4 | 22.5° | 30.0° |
| C23 | C24 | C32 | C34 | 95.5° | 90.0° |
| C24 | C23 | C22 | H26 | 180.0° | 180.0° |
| C24 | C23 | C22 | H25 | 180.0° | 180.0° |
| C23 | C24 | C25 | H27 | 179.1° | 180.0° |
| O4 | C32 | C34 | H39 | 64.1° | 180.0° |
| O4 | C32 | C34 | H41 | 175.8° | 60.0° |
| O4 | C32 | C34 | H40 | 55.8° | 60.0° |
| O4 | C32 | C33 | H38 | 59.1° | 60.0° |
| O4 | C32 | C33 | H36 | 179.1° | 60.0° |
| O4 | C32 | C33 | H37 | 60.9° | 180.0° |
| C32 | C34 | H39 | H41 | 120.0° | 120.0° |
| C32 | C34 | H39 | H40 | 120.0° | 120.0° |
| C32 | C34 | H41 | H40 | 120.0° | 119.9° |
| C34 | C32 | C33 | H38 | 57.1° | 180.0° |
| C34 | C32 | C33 | H36 | 62.9° | 60.0° |
| C34 | C32 | C33 | H37 | 177.1° | 60.0° |
| C34 | C32 | O4 | H35 | 61.6° | 60.0° |
| C14 | C10 | C16 | C11 | 121.0° | 120.0° |
| C14 | C10 | C16 | C9 | 121.1° | 120.0° |
| C14 | C10 | C16 | C15 | 179.3° | 180.0° |
| C14 | C10 | C11 | C9 | 120.5° | 120.0° |
| C14 | C10 | C11 | C12 | 177.7° | 179.9° |
| C14 | C10 | C9 | C8 | 179.8° | 180.0° |
| C14 | C10 | C16 | H18 | 59.1° | 60.0° |
| C14 | C10 | C16 | H17 | 60.6° | 60.0° |
| C14 | C10 | C11 | H10 | 57.5° | 60.0° |
| C14 | C10 | C11 | H9 | 62.2° | 60.0° |
| C14 | C10 | C9 | H8 | 59.6° | 60.0° |
| C14 | C10 | C9 | H7 | 60.1° | 59.9° |
| C10 | C14 | H13 | H14 | 116.0° | 120.0° |
| C10 | C16 | C15 | H18 | 120.1° | 120.0° |
| C10 | C16 | C15 | H17 | 120.1° | 120.0° |
| C16 | C10 | C11 | C9 | 117.9° | 119.9° |
| C16 | C10 | C11 | C12 | 60.7° | 59.9° |
| C16 | C10 | C9 | C8 | 58.1° | 60.0° |
| C10 | C16 | C15 | C13 | 1.2° | 0.0° |
| C10 | C16 | H18 | H17 | 119.6° | 120.0° |
| C10 | C16 | C15 | H15 | 119.0° | 120.0° |
| C10 | C16 | C15 | H16 | 121.4° | 120.0° |
| C16 | C10 | C11 | H10 | 179.2° | 60.0° |
| C16 | C10 | C11 | H9 | 59.5° | 180.0° |
| C16 | C10 | C9 | H8 | 62.1° | 180.0° |
| C16 | C10 | C9 | H7 | 178.2° | 60.1° |
| C16 | C10 | C14 | H13 | 76.7° | 60.0° |
| C16 | C10 | C14 | H14 | 165.8° | 60.0° |
| C15 | C16 | C10 | C11 | 58.3° | 60.0° |
| C15 | C16 | C10 | C9 | 59.6° | 60.0° |
| C16 | C15 | C13 | H15 | 120.2° | 120.0° |
| C16 | C15 | C13 | H16 | 120.2° | 120.0° |
| C16 | C15 | C13 | C12 | 58.6° | 60.0° |
| C16 | C15 | C13 | C8 | 58.0° | 60.0° |
| C16 | C15 | C13 | C17 | 179.2° | 180.0° |
| C15 | C16 | H18 | H17 | 119.6° | 120.1° |
| C16 | C15 | H15 | H16 | 119.5° | 120.0° |
| C10 | C11 | C12 | H10 | 120.2° | 120.0° |
| C10 | C11 | C12 | H9 | 120.2° | 120.0° |
| C11 | C10 | C9 | C8 | 59.8° | 60.0° |
| C10 | C11 | C12 | C13 | 2.8° | 0.1° |
| C11 | C10 | C16 | H18 | 61.9° | 180.0° |
| C11 | C10 | C16 | H17 | 178.4° | 60.0° |
| C10 | C11 | H10 | H9 | 119.5° | 120.0° |
| C10 | C11 | C12 | H12 | 117.5° | 120.0° |
| C10 | C11 | C12 | H11 | 123.0° | 120.0° |
| C11 | C10 | C9 | H8 | 179.9° | 60.0° |
| C11 | C10 | C9 | H7 | 60.4° | 180.0° |
| C11 | C10 | C14 | H13 | 163.2° | 60.0° |
| C11 | C10 | C14 | H14 | 45.7° | 180.0° |
| C9 | C10 | C11 | C12 | 57.2° | 60.0° |
| C10 | C9 | C8 | H8 | 120.2° | 120.0° |
| C10 | C9 | C8 | H7 | 120.1° | 120.1° |
| C10 | C9 | C8 | C13 | 1.6° | 0.0° |
| C9 | C10 | C16 | H18 | 179.8° | 60.0° |
| C9 | C10 | C16 | H17 | 60.5° | 180.0° |
| C9 | C10 | C11 | H10 | 62.9° | 180.0° |
| C9 | C10 | C11 | H9 | 177.4° | 60.0° |
| C10 | C9 | C8 | H5 | 118.6° | 120.0° |
| C10 | C9 | C8 | H6 | 121.8° | 120.0° |
| C10 | C9 | H8 | H7 | 119.6° | 120.0° |
| C9 | C10 | C14 | H13 | 43.6° | 180.0° |
| C9 | C10 | C14 | H14 | 73.9° | 60.0° |
| C11 | C12 | C13 | C15 | 56.4° | 60.0° |
| C11 | C12 | C13 | H12 | 120.2° | 120.1° |
| C11 | C12 | C13 | H11 | 120.2° | 120.0° |
| C11 | C12 | C13 | C8 | 60.4° | 59.9° |
| C11 | C12 | C13 | C17 | 175.8° | 180.0° |
| C12 | C11 | H10 | H9 | 119.5° | 120.0° |
| C11 | C12 | H12 | H11 | 119.4° | 120.0° |
| C9 | C8 | C13 | C15 | 59.6° | 60.0° |
| C9 | C8 | C13 | C12 | 57.7° | 60.0° |
| C9 | C8 | C13 | H5 | 120.2° | 120.0° |
| C9 | C8 | C13 | H6 | 120.1° | 120.0° |
| C9 | C8 | C13 | C17 | 179.9° | 180.0° |
| C9 | C8 | H5 | H6 | 119.5° | 120.0° |
| C8 | C9 | H8 | H7 | 119.6° | 119.9° |
| C15 | C13 | C12 | C8 | 116.8° | 120.0° |
| C15 | C13 | C12 | C17 | 119.5° | 120.0° |
| C15 | C13 | C8 | C17 | 120.4° | 120.0° |
| C15 | C13 | C17 | N3 | 106.7° | 0.0° |
| C15 | C13 | C17 | N2 | 71.2° | 179.9° |
| C13 | C15 | C16 | H18 | 121.3° | 120.0° |
| C13 | C15 | C16 | H17 | 118.9° | 120.0° |
| C13 | C15 | H15 | H16 | 119.5° | 120.0° |
| C15 | C13 | C12 | H12 | 176.6° | 60.1° |
| C15 | C13 | C12 | H11 | 63.8° | 180.0° |
| C15 | C13 | C8 | H5 | 60.6° | 180.0° |
| C15 | C13 | C8 | H6 | 179.7° | 60.0° |
| C12 | C13 | C8 | C17 | 122.4° | 120.0° |
| C12 | C13 | C17 | N3 | 12.7° | 120.0° |
| C12 | C13 | C17 | N2 | 169.4° | 60.1° |
| C12 | C13 | C15 | H15 | 61.6° | 180.0° |
| C12 | C13 | C15 | H16 | 178.8° | 60.0° |
| C13 | C12 | C11 | H10 | 122.9° | 120.0° |
| C13 | C12 | C11 | H9 | 117.4° | 120.0° |
| C13 | C12 | H12 | H11 | 119.4° | 119.9° |
| C12 | C13 | C8 | H5 | 177.8° | 60.0° |
| C12 | C13 | C8 | H6 | 62.5° | 180.0° |
| C8 | C13 | C17 | N3 | 133.4° | 120.0° |
| C8 | C13 | C17 | N2 | 48.7° | 59.9° |
| C8 | C13 | C15 | H15 | 178.1° | 60.0° |
| C8 | C13 | C15 | H16 | 62.2° | 180.0° |
| C8 | C13 | C12 | H12 | 59.8° | 180.0° |
| C8 | C13 | C12 | H11 | 179.4° | 60.1° |
| C13 | C8 | H5 | H6 | 119.5° | 120.0° |
| C13 | C8 | C9 | H8 | 121.8° | 120.0° |
| C13 | C8 | C9 | H7 | 118.5° | 120.1° |
| C13 | C17 | N3 | N2 | 178.1° | 179.9° |
| C13 | C17 | N3 | O1 | 177.4° | 180.0° |
| C13 | C17 | N2 | C18 | 176.9° | 179.9° |
| C17 | C13 | C15 | H15 | 59.0° | 60.1° |
| C17 | C13 | C15 | H16 | 60.7° | 59.9° |
| C17 | C13 | C12 | H12 | 64.0° | 59.9° |
| C17 | C13 | C12 | H11 | 55.6° | 60.0° |
| C17 | C13 | C8 | H5 | 59.7° | 60.0° |
| C17 | C13 | C8 | H6 | 59.9° | 60.0° |
| N3 | C17 | N2 | C18 | 1.1° | 0.2° |
| C17 | N3 | O1 | C18 | 0.0° | 0.1° |
| N2 | C17 | N3 | O1 | 0.7° | 0.1° |
| C17 | N2 | C18 | O1 | 1.1° | 0.3° |
| C17 | N2 | C18 | C19 | 175.2° | 180.0° |
| N3 | O1 | C18 | N2 | 0.7° | 0.2° |
| N3 | O1 | C18 | C19 | 176.2° | 180.0° |
| N2 | C18 | O1 | C19 | 176.9° | 179.7° |
| N2 | C18 | C19 | C21 | 107.1° | 60.0° |
| N2 | C18 | C19 | F1 | 11.4° | 60.0° |
| N2 | C18 | C19 | C20 | 131.9° | 180.0° |
| O1 | C18 | C19 | C21 | 69.1° | 119.7° |
| O1 | C18 | C19 | F1 | 172.4° | 120.3° |
| O1 | C18 | C19 | C20 | 51.9° | 0.3° |
| C18 | C19 | C21 | F1 | 118.6° | 120.0° |
| C18 | C19 | C21 | C20 | 122.9° | 120.0° |
| C18 | C19 | F1 | C20 | 122.7° | 120.0° |
| C18 | C19 | C20 | H21 | 180.0° | 60.0° |
| C18 | C19 | C20 | H19 | 60.0° | 180.0° |
| C18 | C19 | C20 | H20 | 60.0° | 60.0° |
| C18 | C19 | C21 | H22 | 180.0° | 60.0° |
| C18 | C19 | C21 | H23 | 60.0° | 180.0° |
| C18 | C19 | C21 | H24 | 60.0° | 60.0° |
| C21 | C19 | F1 | C20 | 118.8° | 120.0° |
| C21 | C19 | C20 | H21 | 59.3° | 60.0° |
| C21 | C19 | C20 | H19 | 179.3° | 60.0° |
| C21 | C19 | C20 | H20 | 60.8° | 180.0° |
| C19 | C21 | H22 | H23 | 120.0° | 120.0° |
| C19 | C21 | H22 | H24 | 120.0° | 120.0° |
| C19 | C21 | H23 | H24 | 120.0° | 120.0° |
| F1 | C19 | C20 | H21 | 59.3° | 180.0° |
| F1 | C19 | C20 | H19 | 60.7° | 60.0° |
| F1 | C19 | C20 | H20 | 179.3° | 60.0° |
| F1 | C19 | C21 | H22 | 61.3° | 60.0° |
| F1 | C19 | C21 | H23 | 178.6° | 60.0° |
| F1 | C19 | C21 | H24 | 58.6° | 180.0° |
| C19 | C20 | H21 | H19 | 120.0° | 120.0° |
| C19 | C20 | H21 | H20 | 120.0° | 120.1° |
| C19 | C20 | H19 | H20 | 120.0° | 120.0° |
| C20 | C19 | C21 | H22 | 57.2° | 179.9° |
| C20 | C19 | C21 | H23 | 62.9° | 60.0° |
| C20 | C19 | C21 | H24 | 177.1° | 60.0° |
| H18 | C16 | C15 | H15 | 1.2° | 0.0° |
| H18 | C16 | C15 | H16 | 118.5° | 120.0° |
| H17 | C16 | C15 | H15 | 120.9° | 120.1° |
| H17 | C16 | C15 | H16 | 1.2° | 0.0° |
| H21 | C20 | H19 | H20 | 120.0° | 119.9° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H25 | C22 | C23 | H26 | 0.0° | 0.0° |
| H10 | C11 | C12 | H12 | 2.7° | 0.0° |
| H10 | C11 | C12 | H11 | 116.9° | 120.0° |
| H9 | C11 | C12 | H12 | 122.4° | 119.9° |
| H9 | C11 | C12 | H11 | 2.8° | 0.0° |
| H39 | C34 | H41 | H40 | 119.9° | 120.1° |
| H38 | C33 | H36 | H37 | 120.0° | 120.0° |
| H2 | C3 | C4 | H3 | 0.3° | 0.0° |
| H3 | C4 | C5 | H4 | 0.9° | 0.1° |
| H5 | C8 | C9 | H8 | 1.6° | 0.1° |
| H5 | C8 | C9 | H7 | 121.3° | 120.0° |
| H6 | C8 | C9 | H8 | 118.1° | 120.0° |
| H6 | C8 | C9 | H7 | 1.6° | 0.1° |
| H27 | C25 | C26 | H28 | 0.4° | 0.5° |
| H29 | C28 | C30 | H31 | 142.8° | 25.5° |
| H29 | C28 | C30 | H30 | 15.8° | 105.4° |
| H29 | C28 | C31 | H33 | 15.7° | 105.5° |
| H29 | C28 | C31 | H32 | 142.7° | 25.5° |
