YI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C24 | sing | 1.35Å | 1.36Å | |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.36Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.36Å | 1.37Å | Aromatic |
| C23 | C22 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.42Å | 1.42Å | Aromatic |
| C22 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C21 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | O4 | sing | 1.36Å | 1.35Å | |
| C17 | C18 | doub | 1.37Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| O4 | C16 | sing | 1.43Å | 1.43Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| C37 | C38 | doub | 1.36Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.40Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| C36 | C35 | doub | 1.41Å | 1.41Å | Aromatic |
| C13 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C39 | CL1 | sing | 1.74Å | 1.73Å | |
| C39 | C34 | doub | 1.40Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | N3 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.47Å | 1.47Å | |
| C11 | N3 | sing | 1.38Å | 1.41Å | Aromatic |
| O3 | C12 | doub | 1.22Å | 1.22Å | |
| C34 | C33 | sing | 1.48Å | 1.47Å | |
| C12 | O2 | sing | 1.35Å | 1.22Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| C33 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C33 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C32 | N4 | sing | 1.47Å | 1.46Å | |
| C5 | C6 | sing | 1.50Å | 1.50Å | |
| C5 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C28 | N4 | sing | 1.47Å | 1.47Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C6 | C27 | sing | 1.52Å | 1.52Å | |
| C6 | O1 | sing | 1.42Å | 1.43Å | |
| O5 | C31 | sing | 1.43Å | 1.42Å | |
| O5 | C30 | sing | 1.43Å | 1.42Å | |
| C29 | N4 | sing | 1.47Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| N1 | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.50Å | |
| O1 | C7 | sing | 1.41Å | 1.41Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.11Å | 1.10Å | |
| C7 | H11 | sing | 1.10Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C31 | H40 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H42 | sing | 1.09Å | 1.10Å | |
| C37 | H43 | sing | 1.08Å | 1.08Å | |
| C38 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C24 | C25 | 118.1° | 119.6° |
| F1 | C24 | C23 | 118.6° | 119.5° |
| C25 | C24 | C23 | 123.3° | 120.9° |
| C24 | C25 | C26 | 118.9° | 121.0° |
| C24 | C25 | H29 | 120.6° | 119.5° |
| C24 | C23 | C22 | 118.9° | 119.6° |
| C24 | C23 | H28 | 120.5° | 120.2° |
| C25 | C26 | C21 | 120.5° | 119.7° |
| C26 | C25 | H29 | 120.6° | 119.5° |
| C25 | C26 | H30 | 119.8° | 120.2° |
| C23 | C22 | C21 | 119.3° | 119.3° |
| C23 | C22 | C20 | 122.1° | 121.2° |
| C22 | C23 | H28 | 120.5° | 120.2° |
| C26 | C21 | C22 | 119.2° | 119.5° |
| C26 | C21 | C17 | 121.9° | 121.3° |
| C21 | C26 | H30 | 119.8° | 120.2° |
| C21 | C22 | C20 | 118.6° | 119.4° |
| C22 | C21 | C17 | 118.9° | 119.3° |
| C22 | C20 | C19 | 120.7° | 119.8° |
| C22 | C20 | H27 | 119.6° | 120.1° |
| C21 | C17 | O4 | 114.7° | 120.2° |
| C21 | C17 | C18 | 120.8° | 119.6° |
| C20 | C19 | C18 | 121.4° | 121.0° |
| C20 | C19 | H26 | 119.3° | 119.5° |
| C19 | C20 | H27 | 119.7° | 120.1° |
| O4 | C17 | C18 | 124.4° | 120.2° |
| C17 | O4 | C16 | 117.1° | 117.0° |
| C17 | C18 | C19 | 119.5° | 120.9° |
| C17 | C18 | H25 | 120.2° | 119.5° |
| C19 | C18 | H25 | 120.3° | 119.5° |
| C18 | C19 | H26 | 119.3° | 119.5° |
| O4 | C16 | C15 | 107.7° | 109.5° |
| O4 | C16 | H23 | 109.9° | 109.4° |
| O4 | C16 | H24 | 109.9° | 109.5° |
| C16 | C15 | C14 | 112.3° | 109.5° |
| C16 | C15 | H21 | 108.7° | 109.4° |
| C16 | C15 | H22 | 108.7° | 109.5° |
| C15 | C16 | H23 | 109.9° | 109.4° |
| C15 | C16 | H24 | 109.9° | 109.5° |
| C15 | C14 | C13 | 115.1° | 109.5° |
| C15 | C14 | H19 | 108.1° | 109.4° |
| C15 | C14 | H20 | 108.1° | 109.5° |
| C14 | C15 | H21 | 108.7° | 109.5° |
| C14 | C15 | H22 | 108.8° | 109.5° |
| C14 | C13 | C36 | 124.3° | 126.6° |
| C14 | C13 | C11 | 127.6° | 125.7° |
| C13 | C14 | H19 | 108.1° | 109.5° |
| C13 | C14 | H20 | 108.0° | 109.5° |
| C38 | C37 | C36 | 119.9° | 119.8° |
| C37 | C38 | C39 | 120.6° | 120.7° |
| C38 | C37 | H43 | 120.1° | 119.8° |
| C37 | C38 | H44 | 119.7° | 119.8° |
| C37 | C36 | C13 | 132.8° | 132.8° |
| C37 | C36 | C35 | 119.7° | 119.9° |
| C36 | C37 | H43 | 120.0° | 120.4° |
| C38 | C39 | CL1 | 118.7° | 119.9° |
| C38 | C39 | C34 | 121.2° | 121.1° |
| C39 | C38 | H44 | 119.7° | 119.6° |
| C13 | C36 | C35 | 107.4° | 107.3° |
| C36 | C13 | C11 | 108.0° | 107.8° |
| C36 | C35 | C34 | 119.9° | 119.9° |
| C36 | C35 | N3 | 107.6° | 106.9° |
| C13 | C11 | C12 | 126.9° | 124.9° |
| C13 | C11 | N3 | 108.0° | 109.0° |
| CL1 | C39 | C34 | 120.1° | 119.0° |
| C39 | C34 | C35 | 118.7° | 118.6° |
| C39 | C34 | C33 | 118.3° | 116.1° |
| C34 | C35 | N3 | 132.5° | 133.2° |
| C35 | C34 | C33 | 122.6° | 125.3° |
| C35 | N3 | C11 | 108.9° | 109.0° |
| C35 | N3 | C10 | 126.6° | 125.8° |
| C12 | C11 | N3 | 124.9° | 126.1° |
| C11 | C12 | O3 | 117.6° | 119.9° |
| C11 | C12 | O2 | 117.9° | 120.0° |
| C11 | N3 | C10 | 124.4° | 125.2° |
| O3 | C12 | O2 | 124.2° | 120.0° |
| C34 | C33 | C3 | 124.6° | 125.5° |
| C34 | C33 | C5 | 129.3° | 127.3° |
| C12 | O2 | H1 | 109.5° | 117.0° |
| N3 | C10 | C9 | 110.7° | 109.5° |
| N3 | C10 | H17 | 109.1° | 109.2° |
| N3 | C10 | H18 | 109.2° | 109.9° |
| C1 | C2 | C3 | 113.4° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.4° | 109.5° |
| C2 | C1 | H4 | 109.5° | 109.4° |
| C1 | C2 | H5 | 108.5° | 109.4° |
| C1 | C2 | H6 | 108.5° | 109.5° |
| C2 | C3 | C33 | 129.5° | 126.0° |
| C2 | C3 | N1 | 124.0° | 125.6° |
| C3 | C2 | H5 | 108.5° | 109.5° |
| C3 | C2 | H6 | 108.5° | 109.5° |
| C3 | C33 | C5 | 105.9° | 107.2° |
| C33 | C3 | N1 | 106.5° | 108.4° |
| C33 | C5 | C6 | 127.7° | 130.6° |
| C33 | C5 | N2 | 109.2° | 107.8° |
| C3 | N1 | N2 | 111.5° | 107.7° |
| C3 | N1 | C4 | 128.6° | 126.1° |
| C10 | C9 | C8 | 111.5° | 109.6° |
| C10 | C9 | H15 | 109.0° | 109.3° |
| C10 | C9 | H16 | 109.0° | 109.5° |
| C9 | C10 | H17 | 109.1° | 109.6° |
| C9 | C10 | H18 | 109.2° | 109.6° |
| C31 | C32 | N4 | 110.2° | 109.2° |
| C32 | C31 | O5 | 111.0° | 109.2° |
| C32 | C31 | H39 | 109.1° | 109.5° |
| C32 | C31 | H40 | 109.1° | 109.5° |
| C31 | C32 | H41 | 109.3° | 109.5° |
| C31 | C32 | H42 | 109.3° | 109.5° |
| C32 | N4 | C28 | 111.3° | 111.0° |
| C32 | N4 | C29 | 109.4° | 110.8° |
| N4 | C32 | H41 | 109.3° | 109.5° |
| N4 | C32 | H42 | 109.3° | 109.5° |
| C6 | C5 | N2 | 123.0° | 121.6° |
| C5 | C6 | C27 | 113.8° | 112.9° |
| C5 | C6 | O1 | 113.0° | 110.3° |
| C5 | C6 | H10 | 109.5° | 106.9° |
| C5 | N2 | N1 | 106.9° | 108.9° |
| N4 | C28 | C27 | 112.2° | 109.5° |
| C28 | N4 | C29 | 110.0° | 111.0° |
| N4 | C28 | H33 | 108.8° | 109.5° |
| N4 | C28 | H34 | 108.8° | 109.5° |
| C28 | C27 | C6 | 113.4° | 109.5° |
| C28 | C27 | H31 | 108.5° | 109.4° |
| C28 | C27 | H32 | 108.5° | 109.4° |
| C27 | C28 | H33 | 108.8° | 109.4° |
| C27 | C28 | H34 | 108.8° | 109.4° |
| C27 | C6 | O1 | 100.7° | 112.0° |
| C27 | C6 | H10 | 109.1° | 107.5° |
| C6 | C27 | H31 | 108.5° | 109.5° |
| C6 | C27 | H32 | 108.5° | 109.5° |
| C6 | O1 | C7 | 115.7° | 119.8° |
| O1 | C6 | H10 | 110.5° | 107.1° |
| C31 | O5 | C30 | 109.5° | 113.7° |
| O5 | C31 | H39 | 109.1° | 109.5° |
| O5 | C31 | H40 | 109.1° | 109.5° |
| O5 | C30 | C29 | 111.3° | 109.2° |
| O5 | C30 | H37 | 109.0° | 109.5° |
| O5 | C30 | H38 | 109.0° | 109.5° |
| N4 | C29 | C30 | 110.2° | 109.3° |
| N4 | C29 | H35 | 109.3° | 109.5° |
| N4 | C29 | H36 | 109.3° | 109.5° |
| C30 | C29 | H35 | 109.3° | 109.5° |
| C30 | C29 | H36 | 109.3° | 109.5° |
| C29 | C30 | H37 | 109.0° | 109.5° |
| C29 | C30 | H38 | 109.0° | 109.5° |
| N2 | N1 | C4 | 120.0° | 126.2° |
| N1 | C4 | H7 | 109.5° | 109.5° |
| N1 | C4 | H8 | 109.4° | 109.5° |
| N1 | C4 | H9 | 109.5° | 109.5° |
| C9 | C8 | C7 | 108.3° | 109.7° |
| C9 | C8 | H13 | 109.8° | 109.9° |
| C9 | C8 | H14 | 109.8° | 109.0° |
| C8 | C9 | H15 | 109.0° | 109.6° |
| C8 | C9 | H16 | 109.0° | 109.8° |
| C8 | C7 | O1 | 111.2° | 111.2° |
| C8 | C7 | H11 | 109.0° | 107.6° |
| C8 | C7 | H12 | 109.0° | 110.1° |
| C7 | C8 | H13 | 109.8° | 110.1° |
| C7 | C8 | H14 | 109.8° | 109.1° |
| O1 | C7 | H11 | 109.1° | 108.5° |
| O1 | C7 | H12 | 109.0° | 112.8° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H4 | 109.4° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C4 | H8 | 109.5° | 109.4° |
| H7 | C4 | H9 | 109.5° | 109.4° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 106.5° |
| H13 | C8 | H14 | 109.5° | 109.0° |
| H15 | C9 | H16 | 109.5° | 109.0° |
| H17 | C10 | H18 | 109.5° | 109.2° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.6° |
| H39 | C31 | H40 | 109.5° | 109.5° |
| H41 | C32 | H42 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C24 | C25 | C23 | 179.8° | 179.6° |
| F1 | C24 | C25 | C26 | 179.8° | 180.0° |
| F1 | C24 | C23 | C22 | 180.0° | 179.7° |
| F1 | C24 | C23 | H28 | 0.1° | 0.4° |
| F1 | C24 | C25 | H29 | 0.2° | 0.4° |
| C24 | C25 | C26 | H29 | 180.0° | 179.6° |
| C25 | C24 | C23 | C22 | 0.2° | 0.1° |
| C24 | C25 | C26 | C21 | 0.2° | 0.6° |
| C25 | C24 | C23 | H28 | 179.9° | 180.0° |
| C24 | C25 | C26 | H30 | 179.8° | 179.9° |
| C23 | C24 | C25 | C26 | 0.0° | 0.4° |
| C24 | C23 | C22 | H28 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 0.5° | 0.0° |
| C24 | C23 | C22 | C20 | 179.8° | 179.5° |
| C23 | C24 | C25 | H29 | 180.0° | 180.0° |
| C25 | C26 | C21 | H30 | 180.0° | 179.5° |
| C25 | C26 | C21 | C22 | 0.5° | 0.6° |
| C25 | C26 | C21 | C17 | 179.5° | 179.7° |
| C23 | C22 | C21 | C26 | 0.7° | 0.3° |
| C23 | C22 | C21 | C20 | 179.4° | 179.5° |
| C23 | C22 | C21 | C17 | 179.4° | 180.0° |
| C23 | C22 | C20 | C19 | 179.8° | 179.7° |
| C23 | C22 | C20 | H27 | 0.2° | 0.3° |
| C26 | C21 | C22 | C17 | 179.9° | 179.8° |
| C26 | C21 | C22 | C20 | 179.9° | 179.7° |
| C26 | C21 | C17 | O4 | 1.3° | 0.0° |
| C26 | C21 | C17 | C18 | 179.2° | 179.7° |
| C21 | C26 | C25 | H29 | 179.8° | 179.8° |
| C21 | C22 | C20 | C19 | 0.4° | 0.3° |
| C22 | C21 | C17 | O4 | 178.7° | 179.7° |
| C22 | C21 | C17 | C18 | 0.7° | 0.5° |
| C21 | C22 | C20 | H27 | 179.6° | 179.8° |
| C21 | C22 | C23 | H28 | 179.5° | 180.0° |
| C22 | C21 | C26 | H30 | 179.4° | 180.0° |
| C20 | C22 | C21 | C17 | 0.0° | 0.5° |
| C22 | C20 | C19 | H27 | 180.0° | 179.9° |
| C22 | C20 | C19 | C18 | 0.0° | 0.1° |
| C22 | C20 | C19 | H26 | 180.0° | 179.9° |
| C20 | C22 | C23 | H28 | 0.2° | 0.6° |
| C21 | C17 | O4 | C18 | 177.8° | 179.7° |
| C21 | C17 | C18 | C19 | 1.1° | 0.3° |
| C21 | C17 | O4 | C16 | 174.7° | 179.8° |
| C21 | C17 | C18 | H25 | 178.9° | 179.7° |
| C17 | C21 | C26 | H30 | 0.5° | 0.2° |
| C20 | C19 | C18 | C17 | 0.8° | 0.1° |
| C20 | C19 | C18 | H26 | 180.0° | 180.0° |
| C20 | C19 | C18 | H25 | 179.3° | 180.0° |
| O4 | C17 | C18 | C19 | 178.8° | 179.9° |
| C17 | O4 | C16 | C15 | 179.7° | 180.0° |
| C17 | O4 | C16 | H23 | 60.6° | 60.1° |
| C17 | O4 | C16 | H24 | 60.0° | 60.0° |
| O4 | C17 | C18 | H25 | 1.2° | 0.0° |
| C17 | C18 | C19 | H25 | 180.0° | 179.9° |
| C18 | C17 | O4 | C16 | 3.2° | 0.0° |
| C17 | C18 | C19 | H26 | 179.3° | 179.9° |
| C18 | C19 | C20 | H27 | 180.0° | 180.0° |
| O4 | C16 | C15 | H23 | 119.7° | 119.9° |
| O4 | C16 | C15 | H24 | 119.7° | 120.0° |
| O4 | C16 | C15 | C14 | 62.0° | 180.0° |
| O4 | C16 | C15 | H21 | 58.4° | 60.0° |
| O4 | C16 | C15 | H22 | 177.6° | 60.0° |
| O4 | C16 | H23 | H24 | 120.9° | 120.0° |
| C16 | C15 | C14 | H21 | 120.4° | 120.0° |
| C16 | C15 | C14 | H22 | 120.4° | 120.0° |
| C16 | C15 | C14 | C13 | 67.1° | 180.0° |
| C16 | C15 | C14 | H19 | 53.7° | 60.0° |
| C16 | C15 | C14 | H20 | 172.1° | 59.9° |
| C16 | C15 | H21 | H22 | 118.7° | 120.0° |
| C15 | C16 | H23 | H24 | 120.8° | 120.1° |
| C15 | C14 | C13 | H19 | 120.8° | 120.0° |
| C15 | C14 | C13 | H20 | 120.8° | 120.0° |
| C15 | C14 | C13 | C36 | 101.3° | 89.9° |
| C15 | C14 | C13 | C11 | 81.1° | 90.0° |
| C15 | C14 | H19 | H20 | 117.5° | 120.0° |
| C14 | C15 | H21 | H22 | 118.7° | 120.0° |
| C14 | C15 | C16 | H23 | 178.3° | 60.0° |
| C14 | C15 | C16 | H24 | 57.8° | 60.1° |
| C14 | C13 | C36 | C37 | 3.0° | 0.9° |
| C14 | C13 | C36 | C11 | 178.0° | 179.9° |
| C14 | C13 | C36 | C35 | 178.2° | 179.4° |
| C14 | C13 | C11 | C12 | 0.7° | 0.0° |
| C14 | C13 | C11 | N3 | 177.0° | 179.9° |
| C13 | C14 | H19 | H20 | 117.4° | 120.0° |
| C13 | C14 | C15 | H21 | 172.5° | 60.0° |
| C13 | C14 | C15 | H22 | 53.3° | 60.0° |
| C38 | C37 | C36 | H43 | 180.0° | 179.5° |
| C37 | C38 | C39 | H44 | 180.0° | 179.3° |
| C38 | C37 | C36 | C13 | 178.9° | 179.3° |
| C38 | C37 | C36 | C35 | 0.3° | 0.9° |
| C37 | C38 | C39 | CL1 | 179.9° | 179.3° |
| C37 | C38 | C39 | C34 | 1.3° | 0.7° |
| C36 | C37 | C38 | C39 | 0.6° | 0.0° |
| C37 | C36 | C13 | C35 | 178.7° | 179.7° |
| C37 | C36 | C13 | C11 | 178.9° | 179.2° |
| C37 | C36 | C35 | C34 | 1.9° | 1.3° |
| C37 | C36 | C35 | N3 | 179.7° | 179.0° |
| C36 | C37 | C38 | H44 | 179.4° | 179.3° |
| C38 | C39 | CL1 | C34 | 178.6° | 180.0° |
| C38 | C39 | C34 | C35 | 3.4° | 0.3° |
| C38 | C39 | C34 | C33 | 176.2° | 179.8° |
| C39 | C38 | C37 | H43 | 179.4° | 179.5° |
| C13 | C36 | C35 | C34 | 177.0° | 178.9° |
| C13 | C36 | C35 | N3 | 1.3° | 0.8° |
| C36 | C13 | C11 | C12 | 177.3° | 180.0° |
| C36 | C13 | C11 | N3 | 1.0° | 0.1° |
| C36 | C13 | C14 | H19 | 19.6° | 30.1° |
| C36 | C13 | C14 | H20 | 137.9° | 150.1° |
| C13 | C36 | C37 | H43 | 1.1° | 0.2° |
| C35 | C36 | C13 | C11 | 0.2° | 0.6° |
| C36 | C35 | C34 | C39 | 3.7° | 0.7° |
| C36 | C35 | C34 | N3 | 177.9° | 179.7° |
| C36 | C35 | N3 | C11 | 2.0° | 0.8° |
| C36 | C35 | C34 | C33 | 176.1° | 179.2° |
| C36 | C35 | N3 | C10 | 177.6° | 179.2° |
| C35 | C36 | C37 | H43 | 179.7° | 179.5° |
| C13 | C11 | N3 | C35 | 1.8° | 0.5° |
| C13 | C11 | C12 | N3 | 175.7° | 179.9° |
| C13 | C11 | C12 | O3 | 35.1° | 0.1° |
| C13 | C11 | C12 | O2 | 151.1° | 179.9° |
| C13 | C11 | N3 | C10 | 177.6° | 179.5° |
| C11 | C13 | C14 | H19 | 158.0° | 150.0° |
| C11 | C13 | C14 | H20 | 39.7° | 30.0° |
| CL1 | C39 | C34 | C35 | 178.0° | 179.7° |
| CL1 | C39 | C34 | C33 | 5.3° | 0.2° |
| CL1 | C39 | C38 | H44 | 0.1° | 1.3° |
| C39 | C34 | C35 | C33 | 172.4° | 179.9° |
| C39 | C34 | C35 | N3 | 178.4° | 179.7° |
| C39 | C34 | C33 | C3 | 90.0° | 85.1° |
| C39 | C34 | C33 | C5 | 84.4° | 94.4° |
| C34 | C39 | C38 | H44 | 178.7° | 178.7° |
| C34 | C35 | N3 | C11 | 176.1° | 178.9° |
| C34 | C35 | N3 | C10 | 0.5° | 1.1° |
| C35 | C34 | C33 | C3 | 82.4° | 95.0° |
| C35 | C34 | C33 | C5 | 103.2° | 85.5° |
| C35 | N3 | C11 | C12 | 178.2° | 179.4° |
| C35 | N3 | C11 | C10 | 175.8° | 180.0° |
| N3 | C35 | C34 | C33 | 6.0° | 0.5° |
| C35 | N3 | C10 | C9 | 110.2° | 106.0° |
| C35 | N3 | C10 | H17 | 10.0° | 13.9° |
| C35 | N3 | C10 | H18 | 129.6° | 133.6° |
| C11 | C12 | O3 | O2 | 173.4° | 180.0° |
| C12 | C11 | N3 | C10 | 6.0° | 0.6° |
| C11 | C12 | O2 | H1 | 173.4° | 180.0° |
| N3 | C11 | C12 | O3 | 149.2° | 180.0° |
| N3 | C11 | C12 | O2 | 24.6° | 0.0° |
| C11 | N3 | C10 | C9 | 64.8° | 73.9° |
| C11 | N3 | C10 | H17 | 175.0° | 166.1° |
| C11 | N3 | C10 | H18 | 55.4° | 46.4° |
| O3 | C12 | O2 | H1 | 0.0° | 0.1° |
| C34 | C33 | C3 | C2 | 3.3° | 0.3° |
| C34 | C33 | C3 | C5 | 175.5° | 179.6° |
| C34 | C33 | C3 | N1 | 177.5° | 179.2° |
| C34 | C33 | C5 | C6 | 5.4° | 1.1° |
| C34 | C33 | C5 | N2 | 177.6° | 179.9° |
| N3 | C10 | C9 | H17 | 120.2° | 119.7° |
| N3 | C10 | C9 | H18 | 120.2° | 120.5° |
| N3 | C10 | C9 | C8 | 68.2° | 128.5° |
| N3 | C10 | C9 | H15 | 171.5° | 111.3° |
| N3 | C10 | C9 | H16 | 52.1° | 8.0° |
| N3 | C10 | H17 | H18 | 119.4° | 120.1° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C1 | C2 | C3 | H6 | 120.6° | 120.0° |
| C1 | C2 | C3 | C33 | 96.3° | 89.5° |
| C1 | C2 | C3 | N1 | 82.7° | 90.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H4 | 120.0° | 119.9° |
| C2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | C2 | H5 | H6 | 118.2° | 120.0° |
| C2 | C3 | C33 | N1 | 179.2° | 179.5° |
| C2 | C3 | C33 | C5 | 178.8° | 179.3° |
| C2 | C3 | N1 | N2 | 179.7° | 179.1° |
| C2 | C3 | N1 | C4 | 1.0° | 0.7° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H3 | 60.0° | 60.0° |
| C3 | C2 | C1 | H4 | 60.0° | 60.0° |
| C3 | C2 | H5 | H6 | 118.2° | 120.0° |
| C3 | C33 | C5 | C6 | 179.4° | 178.5° |
| C3 | C33 | C5 | N2 | 2.3° | 0.5° |
| C33 | C3 | N1 | N2 | 1.1° | 1.3° |
| C33 | C3 | N1 | C4 | 178.2° | 178.9° |
| C33 | C3 | C2 | H5 | 24.2° | 150.5° |
| C33 | C3 | C2 | H6 | 143.1° | 30.5° |
| C5 | C33 | C3 | N1 | 2.0° | 1.1° |
| C33 | C5 | C6 | N2 | 176.7° | 178.9° |
| C33 | C5 | C6 | C27 | 138.3° | 8.9° |
| C33 | C5 | C6 | O1 | 107.6° | 134.9° |
| C33 | C5 | N2 | N1 | 1.7° | 0.3° |
| C33 | C5 | C6 | H10 | 16.0° | 109.0° |
| C3 | N1 | N2 | C5 | 0.4° | 1.0° |
| C3 | N1 | N2 | C4 | 179.3° | 179.8° |
| N1 | C3 | C2 | H5 | 156.7° | 30.0° |
| N1 | C3 | C2 | H6 | 37.9° | 150.0° |
| C3 | N1 | C4 | H7 | 179.3° | 90.2° |
| C3 | N1 | C4 | H8 | 60.8° | 29.7° |
| C3 | N1 | C4 | H9 | 59.2° | 149.8° |
| C10 | C9 | C8 | H15 | 120.3° | 120.0° |
| C10 | C9 | C8 | H16 | 120.3° | 120.4° |
| C10 | C9 | C8 | C7 | 78.0° | 127.7° |
| C10 | C9 | C8 | H13 | 162.2° | 6.5° |
| C10 | C9 | C8 | H14 | 41.8° | 112.9° |
| C10 | C9 | H15 | H16 | 119.1° | 119.6° |
| C9 | C10 | H17 | H18 | 119.4° | 120.0° |
| C31 | C32 | N4 | H41 | 120.1° | 119.9° |
| C31 | C32 | N4 | H42 | 120.1° | 119.9° |
| C31 | C32 | N4 | C28 | 177.7° | 177.6° |
| C32 | C31 | O5 | H39 | 120.2° | 119.9° |
| C32 | C31 | O5 | H40 | 120.2° | 119.9° |
| C32 | C31 | O5 | C30 | 59.9° | 58.7° |
| C31 | C32 | N4 | C29 | 55.9° | 58.6° |
| C32 | C31 | H39 | H40 | 119.3° | 120.1° |
| C31 | C32 | H41 | H42 | 119.7° | 120.1° |
| C32 | N4 | C28 | C29 | 121.5° | 123.6° |
| C32 | N4 | C28 | C27 | 174.6° | 66.3° |
| N4 | C32 | C31 | O5 | 58.8° | 56.9° |
| C32 | N4 | C29 | C30 | 55.5° | 58.6° |
| C32 | N4 | C28 | H33 | 54.2° | 173.7° |
| C32 | N4 | C28 | H34 | 65.0° | 53.6° |
| C32 | N4 | C29 | H35 | 175.6° | 61.3° |
| C32 | N4 | C29 | H36 | 64.6° | 178.6° |
| N4 | C32 | C31 | H39 | 179.0° | 63.1° |
| N4 | C32 | C31 | H40 | 61.4° | 176.7° |
| N4 | C32 | H41 | H42 | 119.6° | 120.1° |
| C5 | C6 | C27 | C28 | 50.4° | 175.0° |
| C5 | C6 | C27 | O1 | 121.2° | 125.1° |
| C5 | C6 | C27 | H10 | 122.5° | 117.6° |
| C5 | C6 | O1 | H10 | 123.0° | 115.9° |
| C6 | C5 | N2 | N1 | 178.9° | 179.4° |
| C5 | C6 | O1 | C7 | 24.9° | 86.1° |
| C5 | C6 | C27 | H31 | 171.0° | 55.0° |
| C5 | C6 | C27 | H32 | 70.2° | 65.0° |
| N2 | C5 | C6 | C27 | 45.0° | 172.2° |
| N2 | C5 | C6 | O1 | 69.1° | 46.2° |
| C5 | N2 | N1 | C4 | 179.8° | 179.2° |
| N2 | C5 | C6 | H10 | 167.3° | 69.9° |
| N4 | C28 | C27 | H33 | 120.4° | 120.0° |
| N4 | C28 | C27 | H34 | 120.4° | 120.0° |
| N4 | C28 | C27 | C6 | 176.8° | 180.0° |
| C28 | N4 | C29 | C30 | 178.1° | 177.6° |
| N4 | C28 | C27 | H31 | 56.3° | 60.0° |
| N4 | C28 | C27 | H32 | 62.6° | 60.0° |
| N4 | C28 | H33 | H34 | 118.7° | 120.0° |
| C28 | N4 | C29 | H35 | 61.8° | 62.4° |
| C28 | N4 | C29 | H36 | 58.0° | 57.7° |
| C28 | N4 | C32 | H41 | 62.2° | 57.7° |
| C28 | N4 | C32 | H42 | 57.6° | 62.5° |
| C28 | C27 | C6 | H31 | 120.6° | 120.0° |
| C28 | C27 | C6 | H32 | 120.6° | 120.0° |
| C28 | C27 | C6 | O1 | 171.6° | 59.9° |
| C27 | C28 | N4 | C29 | 63.9° | 170.0° |
| C28 | C27 | C6 | H10 | 72.1° | 57.5° |
| C28 | C27 | H31 | H32 | 118.2° | 119.9° |
| C27 | C28 | H33 | H34 | 118.7° | 119.9° |
| C27 | C6 | O1 | H10 | 115.2° | 117.5° |
| C27 | C6 | O1 | C7 | 146.7° | 40.5° |
| C6 | C27 | H31 | H32 | 118.2° | 120.0° |
| C6 | C27 | C28 | H33 | 62.7° | 60.0° |
| C6 | C27 | C28 | H34 | 56.4° | 60.0° |
| C6 | O1 | C7 | C8 | 88.6° | 72.1° |
| C6 | O1 | C7 | H11 | 31.7° | 169.8° |
| C6 | O1 | C7 | H12 | 151.2° | 52.1° |
| O1 | C6 | C27 | H31 | 67.8° | 179.9° |
| O1 | C6 | C27 | H32 | 51.0° | 60.1° |
| C31 | O5 | C30 | C29 | 59.7° | 58.7° |
| C31 | O5 | C30 | H37 | 180.0° | 178.7° |
| C31 | O5 | C30 | H38 | 60.5° | 61.2° |
| O5 | C31 | H39 | H40 | 119.3° | 120.1° |
| O5 | C31 | C32 | H41 | 178.9° | 176.8° |
| O5 | C31 | C32 | H42 | 61.3° | 63.0° |
| O5 | C30 | C29 | N4 | 58.1° | 56.9° |
| O5 | C30 | C29 | H37 | 120.3° | 119.9° |
| O5 | C30 | C29 | H38 | 120.3° | 119.9° |
| O5 | C30 | C29 | H35 | 178.2° | 63.1° |
| O5 | C30 | C29 | H36 | 62.0° | 176.8° |
| O5 | C30 | H37 | H38 | 119.2° | 120.1° |
| C30 | O5 | C31 | H39 | 179.8° | 61.2° |
| C30 | O5 | C31 | H40 | 60.3° | 178.6° |
| N4 | C29 | C30 | H35 | 120.1° | 120.0° |
| N4 | C29 | C30 | H36 | 120.1° | 119.9° |
| C29 | N4 | C28 | H33 | 175.6° | 50.0° |
| C29 | N4 | C28 | H34 | 56.5° | 70.0° |
| N4 | C29 | H35 | H36 | 119.6° | 120.1° |
| N4 | C29 | C30 | H37 | 178.4° | 176.8° |
| N4 | C29 | C30 | H38 | 62.2° | 63.1° |
| C29 | N4 | C32 | H41 | 176.0° | 178.6° |
| C29 | N4 | C32 | H42 | 64.2° | 61.3° |
| C30 | C29 | H35 | H36 | 119.7° | 120.1° |
| C29 | C30 | H37 | H38 | 119.1° | 120.1° |
| N2 | N1 | C4 | H7 | 0.0° | 90.0° |
| N2 | N1 | C4 | H8 | 120.0° | 150.0° |
| N2 | N1 | C4 | H9 | 120.0° | 30.0° |
| N1 | C4 | H7 | H8 | 120.0° | 120.0° |
| N1 | C4 | H7 | H9 | 120.0° | 120.0° |
| N1 | C4 | H8 | H9 | 120.0° | 120.1° |
| C9 | C8 | C7 | H13 | 119.8° | 121.1° |
| C9 | C8 | C7 | H14 | 119.8° | 119.3° |
| C9 | C8 | C7 | O1 | 161.8° | 122.8° |
| C9 | C8 | C7 | H11 | 41.6° | 118.6° |
| C9 | C8 | C7 | H12 | 77.9° | 3.0° |
| C9 | C8 | H13 | H14 | 120.5° | 119.4° |
| C8 | C9 | H15 | H16 | 119.1° | 120.2° |
| C8 | C9 | C10 | H17 | 52.0° | 8.9° |
| C8 | C9 | C10 | H18 | 171.6° | 110.9° |
| C8 | C7 | O1 | H11 | 120.2° | 118.1° |
| C8 | C7 | O1 | H12 | 120.3° | 124.2° |
| C8 | C7 | H11 | H12 | 119.2° | 118.0° |
| C7 | C8 | H13 | H14 | 120.5° | 119.6° |
| C7 | C8 | C9 | H15 | 42.3° | 112.3° |
| C7 | C8 | C9 | H16 | 161.7° | 7.4° |
| C7 | O1 | C6 | H10 | 98.1° | 158.0° |
| O1 | C7 | H11 | H12 | 119.2° | 121.6° |
| O1 | C7 | C8 | H13 | 78.3° | 1.7° |
| O1 | C7 | C8 | H14 | 42.0° | 117.9° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| H2 | C1 | C2 | H5 | 59.4° | 60.1° |
| H2 | C1 | C2 | H6 | 59.4° | 59.9° |
| H3 | C1 | C2 | H5 | 60.6° | 60.0° |
| H3 | C1 | C2 | H6 | 179.4° | 180.0° |
| H4 | C1 | C2 | H5 | 179.4° | 180.0° |
| H4 | C1 | C2 | H6 | 60.5° | 60.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H10 | C6 | C27 | H31 | 48.5° | 62.5° |
| H10 | C6 | C27 | H32 | 167.3° | 177.5° |
| H11 | C7 | C8 | H13 | 161.4° | 120.3° |
| H11 | C7 | C8 | H14 | 78.3° | 0.8° |
| H12 | C7 | C8 | H13 | 41.9° | 124.0° |
| H12 | C7 | C8 | H14 | 162.3° | 116.4° |
| H13 | C8 | C9 | H15 | 77.5° | 126.5° |
| H13 | C8 | C9 | H16 | 41.9° | 113.8° |
| H14 | C8 | C9 | H15 | 162.1° | 7.1° |
| H14 | C8 | C9 | H16 | 78.5° | 126.8° |
| H15 | C9 | C10 | H17 | 68.3° | 129.1° |
| H15 | C9 | C10 | H18 | 51.3° | 9.3° |
| H16 | C9 | C10 | H17 | 172.3° | 111.6° |
| H16 | C9 | C10 | H18 | 68.1° | 128.6° |
| H19 | C14 | C15 | H21 | 66.7° | 180.0° |
| H19 | C14 | C15 | H22 | 174.1° | 60.0° |
| H20 | C14 | C15 | H21 | 51.7° | 60.0° |
| H20 | C14 | C15 | H22 | 67.5° | 180.0° |
| H21 | C15 | C16 | H23 | 61.3° | 60.0° |
| H21 | C15 | C16 | H24 | 178.2° | 179.9° |
| H22 | C15 | C16 | H23 | 57.9° | 179.9° |
| H22 | C15 | C16 | H24 | 62.6° | 60.0° |
| H25 | C18 | C19 | H26 | 0.7° | 0.0° |
| H26 | C19 | C20 | H27 | 0.1° | 0.0° |
| H29 | C25 | C26 | H30 | 0.2° | 0.3° |
| H31 | C27 | C28 | H33 | 176.7° | NaN° |
| H31 | C27 | C28 | H34 | 64.1° | 60.0° |
| H32 | C27 | C28 | H33 | 57.8° | 60.0° |
| H32 | C27 | C28 | H34 | 177.0° | 180.0° |
| H35 | C29 | C30 | H37 | 61.5° | 56.8° |
| H35 | C29 | C30 | H38 | 57.9° | 177.0° |
| H36 | C29 | C30 | H37 | 58.3° | 63.3° |
| H36 | C29 | C30 | H38 | 177.7° | 56.8° |
| H39 | C31 | C32 | H41 | 60.8° | 56.9° |
| H39 | C31 | C32 | H42 | 59.0° | 177.0° |
| H40 | C31 | C32 | H41 | 58.7° | 63.3° |
| H40 | C31 | C32 | H42 | 178.5° | 56.8° |
| H43 | C37 | C38 | H44 | 0.6° | 1.2° |
