7IU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | C23 | doub | 1.21Å | 1.23Å | |
| N37 | C23 | sing | 1.35Å | 1.35Å | |
| N37 | C18 | sing | 1.39Å | 1.39Å | |
| C23 | C32 | sing | 1.51Å | 1.54Å | |
| N36 | C18 | doub | 1.33Å | 1.36Å | Aromatic |
| N36 | C8 | sing | 1.31Å | 1.37Å | Aromatic |
| C18 | C14 | sing | 1.40Å | 1.37Å | Aromatic |
| C32 | C24 | sing | 1.53Å | 1.55Å | |
| C32 | C14 | sing | 1.50Å | 1.50Å | |
| C32 | C25 | sing | 1.53Å | 1.54Å | |
| C8 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C24 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C17 | sing | 1.52Å | 1.51Å | |
| C12 | C6 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C19 | sing | 1.47Å | 1.48Å | |
| C13 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | N35 | sing | 1.32Å | 1.35Å | Aromatic |
| C19 | C20 | doub | 1.32Å | 1.35Å | |
| C5 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| N35 | C7 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | C26 | sing | 1.50Å | 1.51Å | |
| C11 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C21 | sing | 1.47Å | 1.50Å | |
| N38 | C21 | sing | 1.37Å | 1.34Å | |
| N38 | C31 | sing | 1.48Å | 1.47Å | |
| O41 | C22 | doub | 1.21Å | 1.23Å | |
| C21 | O40 | doub | 1.21Å | 1.23Å | |
| C34 | C31 | sing | 1.53Å | 1.54Å | |
| C34 | C15 | sing | 1.51Å | 1.52Å | |
| C26 | O44 | sing | 1.43Å | 1.42Å | |
| O44 | C29 | sing | 1.43Å | 1.42Å | |
| C31 | C22 | sing | 1.51Å | 1.55Å | |
| C22 | N39 | sing | 1.36Å | 1.36Å | |
| C15 | C9 | doub | 1.34Å | 1.39Å | Aromatic |
| C15 | C10 | sing | 1.47Å | 1.43Å | Aromatic |
| C9 | O43 | sing | 1.34Å | 1.36Å | Aromatic |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| O45 | C30 | sing | 1.43Å | 1.43Å | |
| O45 | C28 | sing | 1.43Å | 1.42Å | |
| C10 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C16 | sing | 1.41Å | 1.41Å | Aromatic |
| N39 | C27 | sing | 1.48Å | 1.47Å | |
| N39 | C33 | sing | 1.47Å | 1.47Å | |
| O43 | C16 | sing | 1.35Å | 1.36Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C16 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C19 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C25 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C28 | H14 | sing | 1.09Å | 1.10Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.09Å | 1.10Å | |
| C30 | H19 | sing | 1.09Å | 1.10Å | |
| C31 | H20 | sing | 1.09Å | 1.10Å | |
| C33 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| C33 | H23 | sing | 1.09Å | 1.10Å | |
| C34 | H24 | sing | 1.09Å | 1.10Å | |
| C34 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.08Å | 1.08Å | |
| C5 | H27 | sing | 1.08Å | 1.08Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| C7 | H29 | sing | 1.08Å | 1.08Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| C9 | H31 | sing | 1.08Å | 1.08Å | |
| N37 | H32 | sing | 0.97Å | 1.00Å | |
| N38 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | C23 | N37 | 127.6° | 127.0° |
| O42 | C23 | C32 | 125.3° | 126.9° |
| C23 | N37 | C18 | 112.3° | 112.2° |
| N37 | C23 | C32 | 107.1° | 106.1° |
| C23 | N37 | H32 | 123.8° | 123.9° |
| N37 | C18 | N36 | 126.4° | 130.2° |
| N37 | C18 | C14 | 109.6° | 109.9° |
| C18 | N37 | H32 | 123.8° | 124.0° |
| C23 | C32 | C24 | 111.5° | 112.5° |
| C23 | C32 | C14 | 102.0° | 104.3° |
| C23 | C32 | C25 | 112.7° | 109.7° |
| C18 | N36 | C8 | 116.6° | 122.8° |
| N36 | C18 | C14 | 124.0° | 119.7° |
| N36 | C8 | C12 | 123.5° | 120.6° |
| N36 | C8 | H30 | 118.3° | 119.7° |
| C18 | C14 | C32 | 109.0° | 105.7° |
| C18 | C14 | C6 | 118.7° | 119.5° |
| C24 | C32 | C14 | 112.0° | 111.5° |
| C24 | C32 | C25 | 101.9° | 105.3° |
| C32 | C24 | C13 | 100.0° | 106.5° |
| C32 | C24 | H5 | 111.8° | 110.0° |
| C32 | C24 | H6 | 111.8° | 110.1° |
| C14 | C32 | C25 | 117.2° | 113.8° |
| C32 | C14 | C6 | 132.3° | 134.7° |
| C32 | C25 | C17 | 99.6° | 106.5° |
| C32 | C25 | H7 | 111.9° | 110.0° |
| C32 | C25 | H8 | 111.9° | 110.1° |
| C8 | C12 | C6 | 117.4° | 118.2° |
| C8 | C12 | C19 | 121.9° | 121.1° |
| C12 | C8 | H30 | 118.3° | 119.7° |
| C24 | C13 | C17 | 108.6° | 109.7° |
| C24 | C13 | C5 | 132.6° | 131.3° |
| C13 | C24 | H5 | 111.8° | 110.0° |
| C13 | C24 | H6 | 111.8° | 110.1° |
| C14 | C6 | C12 | 119.7° | 118.9° |
| C14 | C6 | H28 | 120.1° | 120.5° |
| C25 | C17 | C13 | 110.4° | 109.0° |
| C25 | C17 | N35 | 126.0° | 130.4° |
| C17 | C25 | H7 | 111.9° | 110.0° |
| C17 | C25 | H8 | 111.9° | 110.0° |
| C6 | C12 | C19 | 120.7° | 120.7° |
| C12 | C6 | H28 | 120.1° | 120.5° |
| C12 | C19 | C20 | 123.7° | 121.5° |
| C12 | C19 | H2 | 118.1° | 119.6° |
| C17 | C13 | C5 | 118.8° | 118.9° |
| C13 | C17 | N35 | 123.6° | 120.3° |
| C13 | C5 | C11 | 118.4° | 118.5° |
| C13 | C5 | H27 | 120.8° | 120.8° |
| C17 | N35 | C7 | 117.3° | 122.5° |
| C19 | C20 | C26 | 126.6° | 120.4° |
| C20 | C19 | H2 | 118.1° | 118.9° |
| C19 | C20 | H4 | 116.7° | 119.8° |
| C5 | C11 | C7 | 118.5° | 118.2° |
| C5 | C11 | C21 | 123.1° | 118.7° |
| C11 | C5 | H27 | 120.8° | 120.8° |
| N35 | C7 | C11 | 123.4° | 120.0° |
| N35 | C7 | H29 | 118.3° | 120.0° |
| C20 | C26 | O44 | 109.0° | 108.6° |
| C26 | C20 | H4 | 116.7° | 119.8° |
| C20 | C26 | H9 | 109.6° | 109.6° |
| C20 | C26 | H10 | 109.6° | 109.6° |
| C7 | C11 | C21 | 118.3° | 123.0° |
| C11 | C7 | H29 | 118.3° | 120.0° |
| C11 | C21 | N38 | 118.4° | 118.0° |
| C11 | C21 | O40 | 119.3° | 121.0° |
| C21 | N38 | C31 | 121.3° | 116.4° |
| N38 | C21 | O40 | 122.3° | 121.0° |
| C21 | N38 | H33 | 119.4° | 121.9° |
| N38 | C31 | C34 | 111.0° | 109.7° |
| N38 | C31 | C22 | 109.6° | 108.3° |
| N38 | C31 | H20 | 109.2° | 109.7° |
| C31 | N38 | H33 | 119.4° | 121.7° |
| O41 | C22 | C31 | 116.3° | 119.4° |
| O41 | C22 | N39 | 122.9° | 119.5° |
| C31 | C34 | C15 | 112.6° | 109.5° |
| C34 | C31 | C22 | 110.5° | 109.7° |
| C34 | C31 | H20 | 108.3° | 109.7° |
| C31 | C34 | H24 | 108.7° | 109.4° |
| C31 | C34 | H25 | 108.7° | 109.5° |
| C34 | C15 | C9 | 129.1° | 126.9° |
| C34 | C15 | C10 | 126.0° | 126.9° |
| C15 | C34 | H24 | 108.7° | 109.5° |
| C15 | C34 | H25 | 108.7° | 109.5° |
| C26 | O44 | C29 | 113.6° | 114.6° |
| O44 | C26 | H9 | 109.6° | 109.6° |
| O44 | C26 | H10 | 109.6° | 109.7° |
| O44 | C29 | C30 | 111.2° | 109.8° |
| O44 | C29 | H15 | 109.1° | 109.4° |
| O44 | C29 | H16 | 109.0° | 109.4° |
| C31 | C22 | N39 | 120.8° | 121.2° |
| C22 | C31 | H20 | 108.1° | 109.7° |
| C22 | N39 | C27 | 120.9° | 116.1° |
| C22 | N39 | C33 | 124.8° | 121.9° |
| C9 | C15 | C10 | 104.9° | 106.1° |
| C15 | C9 | O43 | 112.9° | 110.2° |
| C15 | C9 | H31 | 123.5° | 124.9° |
| C15 | C10 | C3 | 135.5° | 134.4° |
| C15 | C10 | C16 | 105.5° | 105.6° |
| C9 | O43 | C16 | 105.4° | 110.9° |
| O43 | C9 | H31 | 123.6° | 125.0° |
| C29 | C30 | O45 | 111.6° | 109.8° |
| C30 | C29 | H15 | 109.0° | 109.4° |
| C30 | C29 | H16 | 109.0° | 109.4° |
| C29 | C30 | H18 | 108.9° | 109.4° |
| C29 | C30 | H19 | 108.9° | 109.4° |
| C30 | O45 | C28 | 113.2° | 113.7° |
| O45 | C30 | H18 | 108.9° | 109.4° |
| O45 | C30 | H19 | 109.0° | 109.4° |
| O45 | C28 | C27 | 112.1° | 109.7° |
| O45 | C28 | H13 | 108.8° | 109.4° |
| O45 | C28 | H14 | 108.8° | 109.4° |
| C3 | C10 | C16 | 119.0° | 120.1° |
| C10 | C3 | C1 | 118.6° | 119.6° |
| C10 | C3 | H17 | 120.7° | 120.2° |
| C10 | C16 | O43 | 111.3° | 107.2° |
| C10 | C16 | C4 | 122.8° | 119.4° |
| C27 | N39 | C33 | 114.3° | 121.9° |
| N39 | C27 | C28 | 114.3° | 109.3° |
| N39 | C27 | H11 | 108.3° | 109.5° |
| N39 | C27 | H12 | 108.3° | 109.5° |
| N39 | C33 | H21 | 109.5° | 109.4° |
| N39 | C33 | H22 | 109.5° | 109.5° |
| N39 | C33 | H23 | 109.4° | 109.5° |
| O43 | C16 | C4 | 126.0° | 133.4° |
| C3 | C1 | C2 | 121.0° | 120.3° |
| C3 | C1 | H1 | 119.5° | 119.9° |
| C1 | C3 | H17 | 120.7° | 120.2° |
| C28 | C27 | H11 | 108.3° | 109.5° |
| C28 | C27 | H12 | 108.3° | 109.5° |
| C27 | C28 | H13 | 108.8° | 109.4° |
| C27 | C28 | H14 | 108.8° | 109.5° |
| C16 | C4 | C2 | 116.6° | 119.9° |
| C16 | C4 | H26 | 121.7° | 120.1° |
| C1 | C2 | C4 | 122.1° | 120.7° |
| C2 | C1 | H1 | 119.5° | 119.8° |
| C1 | C2 | H3 | 119.0° | 119.7° |
| C4 | C2 | H3 | 119.0° | 119.6° |
| C2 | C4 | H26 | 121.7° | 120.0° |
| H5 | C24 | H6 | 109.5° | 110.0° |
| H7 | C25 | H8 | 109.5° | 110.1° |
| H9 | C26 | H10 | 109.5° | 109.7° |
| H11 | C27 | H12 | 109.4° | 109.6° |
| H13 | C28 | H14 | 109.4° | 109.4° |
| H15 | C29 | H16 | 109.5° | 109.5° |
| H18 | C30 | H19 | 109.5° | 109.4° |
| H21 | C33 | H22 | 109.5° | 109.5° |
| H21 | C33 | H23 | 109.5° | 109.5° |
| H22 | C33 | H23 | 109.5° | 109.5° |
| H24 | C34 | H25 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | C23 | N37 | C32 | 178.8° | 180.0° |
| O42 | C23 | N37 | C18 | 179.6° | 168.8° |
| O42 | C23 | C32 | C24 | 60.4° | 45.5° |
| O42 | C23 | C32 | C14 | 180.0° | 166.5° |
| O42 | C23 | C32 | C25 | 53.5° | 71.2° |
| O42 | C23 | N37 | H32 | 0.4° | 11.2° |
| C23 | N37 | C18 | H32 | 180.0° | 180.0° |
| C23 | N37 | C18 | N36 | 179.9° | 171.1° |
| C23 | N37 | C18 | C14 | 0.0° | 4.1° |
| N37 | C23 | C32 | C24 | 118.4° | 134.5° |
| N37 | C23 | C32 | C14 | 1.2° | 13.6° |
| N37 | C23 | C32 | C25 | 127.7° | 108.7° |
| C18 | N37 | C23 | C32 | 0.8° | 11.2° |
| N37 | C18 | N36 | C14 | 179.9° | 174.8° |
| N37 | C18 | N36 | C8 | 179.9° | 169.4° |
| N37 | C18 | C14 | C32 | 0.8° | 5.1° |
| N37 | C18 | C14 | C6 | 179.9° | 172.7° |
| C23 | C32 | C14 | C18 | 1.2° | 11.2° |
| C23 | C32 | C24 | C14 | 113.5° | 116.7° |
| C23 | C32 | C24 | C25 | 120.4° | 119.4° |
| C23 | C32 | C14 | C25 | 123.5° | 119.5° |
| C23 | C32 | C24 | C13 | 162.0° | 121.9° |
| C23 | C32 | C14 | C6 | 179.9° | 166.1° |
| C23 | C32 | C25 | C17 | 160.8° | 113.7° |
| C23 | C32 | C24 | H5 | 79.5° | 2.7° |
| C23 | C32 | C24 | H6 | 43.6° | 118.8° |
| C23 | C32 | C25 | H7 | 42.4° | 127.0° |
| C23 | C32 | C25 | H8 | 80.8° | 5.6° |
| C32 | C23 | N37 | H32 | 179.1° | 168.7° |
| N36 | C18 | C14 | C32 | 179.3° | 179.2° |
| C18 | N36 | C8 | C12 | 0.3° | 1.9° |
| N36 | C18 | C14 | C6 | 0.2° | 3.1° |
| C18 | N36 | C8 | H30 | 179.7° | 178.1° |
| N36 | C18 | N37 | H32 | 0.1° | 8.9° |
| C8 | N36 | C18 | C14 | 0.0° | 5.4° |
| N36 | C8 | C12 | H30 | 180.0° | 180.0° |
| N36 | C8 | C12 | C6 | 0.3° | 3.8° |
| N36 | C8 | C12 | C19 | 179.9° | 176.4° |
| C18 | C14 | C32 | C24 | 118.0° | 132.7° |
| C18 | C14 | C32 | C6 | 178.9° | 177.2° |
| C18 | C14 | C32 | C25 | 124.7° | 108.4° |
| C18 | C14 | C6 | C12 | 0.2° | 2.4° |
| C18 | C14 | C6 | H28 | 179.9° | 177.5° |
| C14 | C18 | N37 | H32 | 180.0° | 175.9° |
| C24 | C32 | C14 | C25 | 117.2° | 118.9° |
| C32 | C24 | C13 | H5 | 118.4° | 119.3° |
| C32 | C24 | C13 | H6 | 118.4° | 119.3° |
| C24 | C32 | C14 | C6 | 60.9° | 44.5° |
| C24 | C32 | C25 | C17 | 41.3° | 7.5° |
| C32 | C24 | C13 | C17 | 26.3° | 12.8° |
| C32 | C24 | C13 | C5 | 153.4° | 168.8° |
| C32 | C24 | H5 | H6 | 124.4° | 121.5° |
| C24 | C32 | C25 | H7 | 77.1° | 111.7° |
| C24 | C32 | C25 | H8 | 159.7° | 126.8° |
| C14 | C32 | C24 | C13 | 84.5° | 121.4° |
| C14 | C32 | C25 | C17 | 81.3° | 129.9° |
| C32 | C14 | C6 | C12 | 179.0° | 174.5° |
| C14 | C32 | C24 | H5 | 34.0° | 119.4° |
| C14 | C32 | C24 | H6 | 157.1° | 2.1° |
| C14 | C32 | C25 | H7 | 160.3° | 10.6° |
| C14 | C32 | C25 | H8 | 37.1° | 110.8° |
| C32 | C14 | C6 | H28 | 1.1° | 5.6° |
| C25 | C32 | C24 | C13 | 41.6° | 2.5° |
| C25 | C32 | C14 | C6 | 56.4° | 74.4° |
| C32 | C25 | C17 | H7 | 118.4° | 119.2° |
| C32 | C25 | C17 | H8 | 118.4° | 119.4° |
| C32 | C25 | C17 | C13 | 26.2° | 16.0° |
| C32 | C25 | C17 | N35 | 153.3° | 170.0° |
| C25 | C32 | C24 | H5 | 160.0° | 116.8° |
| C25 | C32 | C24 | H6 | 76.9° | 121.8° |
| C32 | C25 | H7 | H8 | 124.6° | 121.5° |
| C8 | C12 | C6 | C14 | 0.1° | 5.8° |
| C8 | C12 | C6 | C19 | 179.6° | 179.8° |
| C8 | C12 | C19 | C20 | 155.3° | 152.6° |
| C8 | C12 | C19 | H2 | 24.7° | 29.6° |
| C8 | C12 | C6 | H28 | 179.9° | 174.1° |
| C24 | C13 | C17 | C25 | 0.1° | 17.9° |
| C24 | C13 | C17 | C5 | 179.7° | 178.6° |
| C24 | C13 | C17 | N35 | 179.6° | 167.3° |
| C24 | C13 | C5 | C11 | 179.9° | 176.7° |
| C13 | C24 | H5 | H6 | 124.4° | 121.4° |
| C24 | C13 | C5 | H27 | 0.1° | 3.3° |
| C14 | C6 | C12 | H28 | 180.0° | 179.9° |
| C14 | C6 | C12 | C19 | 179.7° | 174.4° |
| C25 | C17 | C13 | N35 | 179.5° | 174.8° |
| C25 | C17 | C13 | C5 | 179.6° | 163.4° |
| C25 | C17 | N35 | C7 | 179.8° | 162.9° |
| C17 | C25 | H7 | H8 | 124.6° | 121.4° |
| C6 | C12 | C19 | C20 | 24.3° | 27.2° |
| C6 | C12 | C19 | H2 | 155.7° | 150.6° |
| C6 | C12 | C8 | H30 | 179.7° | 176.2° |
| C12 | C19 | C20 | H2 | 180.0° | 177.8° |
| C12 | C19 | C20 | C26 | 180.0° | 177.1° |
| C12 | C19 | C20 | H4 | 0.1° | 5.0° |
| C19 | C12 | C6 | H28 | 0.3° | 5.6° |
| C19 | C12 | C8 | H30 | 0.1° | 3.6° |
| C17 | C13 | C5 | C11 | 0.5° | 1.6° |
| C13 | C17 | N35 | C7 | 0.3° | 10.6° |
| C17 | C13 | C24 | H5 | 144.7° | 106.4° |
| C17 | C13 | C24 | H6 | 92.1° | 132.1° |
| C13 | C17 | C25 | H7 | 92.2° | 103.3° |
| C13 | C17 | C25 | H8 | 144.6° | 135.3° |
| C17 | C13 | C5 | H27 | 179.5° | 178.4° |
| C5 | C13 | C17 | N35 | 0.1° | 11.3° |
| C13 | C5 | C11 | H27 | 180.0° | 179.9° |
| C13 | C5 | C11 | C7 | 0.8° | 8.8° |
| C13 | C5 | C11 | C21 | 179.3° | 168.4° |
| C5 | C13 | C24 | H5 | 34.9° | 72.0° |
| C5 | C13 | C24 | H6 | 88.2° | 49.5° |
| C17 | N35 | C7 | C11 | 0.0° | 0.4° |
| N35 | C17 | C25 | H7 | 88.3° | 70.8° |
| N35 | C17 | C25 | H8 | 34.9° | 50.6° |
| C17 | N35 | C7 | H29 | 179.9° | 179.6° |
| C19 | C20 | C26 | H4 | 180.0° | 178.0° |
| C19 | C20 | C26 | O44 | 99.6° | 99.2° |
| C19 | C20 | C26 | H9 | 140.5° | 141.1° |
| C19 | C20 | C26 | H10 | 20.3° | 20.7° |
| C5 | C11 | C7 | N35 | 0.6° | 10.0° |
| C5 | C11 | C7 | C21 | 178.5° | 177.1° |
| C5 | C11 | C21 | N38 | 21.8° | 16.0° |
| C5 | C11 | C21 | O40 | 156.9° | 164.0° |
| C5 | C11 | C7 | H29 | 179.3° | 170.0° |
| N35 | C7 | C11 | H29 | 180.0° | 180.0° |
| N35 | C7 | C11 | C21 | 179.2° | 167.0° |
| C20 | C26 | O44 | H9 | 119.9° | 119.7° |
| C20 | C26 | O44 | H10 | 120.0° | 119.8° |
| C20 | C26 | O44 | C29 | 132.8° | 134.4° |
| C26 | C20 | C19 | H2 | 0.0° | 0.7° |
| C20 | C26 | H9 | H10 | 120.2° | 120.4° |
| C7 | C11 | C21 | N38 | 159.8° | 161.0° |
| C7 | C11 | C21 | O40 | 21.5° | 19.0° |
| C7 | C11 | C5 | H27 | 179.2° | 171.3° |
| C11 | C21 | N38 | O40 | 178.6° | 180.0° |
| C11 | C21 | N38 | C31 | 178.9° | 142.4° |
| C21 | C11 | C5 | H27 | 0.7° | 11.5° |
| C21 | C11 | C7 | H29 | 0.8° | 13.0° |
| C11 | C21 | N38 | H33 | 1.1° | 37.6° |
| C21 | N38 | C31 | H33 | 180.0° | 180.0° |
| C21 | N38 | C31 | C34 | 159.2° | 93.0° |
| C21 | N38 | C31 | C22 | 78.4° | 147.2° |
| C21 | N38 | C31 | H20 | 39.8° | 27.6° |
| N38 | C31 | C22 | O41 | 56.1° | 67.2° |
| C31 | N38 | C21 | O40 | 0.3° | 37.6° |
| N38 | C31 | C34 | C22 | 121.8° | 118.8° |
| N38 | C31 | C34 | H20 | 119.9° | 120.6° |
| N38 | C31 | C34 | C15 | 171.6° | 66.1° |
| N38 | C31 | C22 | H20 | 118.9° | 119.7° |
| N38 | C31 | C22 | N39 | 123.7° | 112.8° |
| N38 | C31 | C34 | H24 | 67.9° | 53.8° |
| N38 | C31 | C34 | H25 | 51.2° | 173.8° |
| O41 | C22 | C31 | C34 | 66.5° | 52.5° |
| O41 | C22 | C31 | N39 | 179.8° | 180.0° |
| O41 | C22 | N39 | C27 | 0.1° | 1.1° |
| O41 | C22 | N39 | C33 | 179.9° | 178.8° |
| O41 | C22 | C31 | H20 | 175.1° | 173.1° |
| O40 | C21 | N38 | H33 | 179.7° | 142.4° |
| C31 | C34 | C15 | H24 | 120.5° | 119.9° |
| C31 | C34 | C15 | H25 | 120.5° | 120.0° |
| C34 | C31 | C22 | H20 | 118.4° | 120.6° |
| C34 | C31 | C22 | N39 | 113.6° | 127.5° |
| C31 | C34 | C15 | C9 | 98.6° | 95.0° |
| C31 | C34 | C15 | C10 | 81.4° | 85.0° |
| C31 | C34 | H24 | H25 | 118.6° | 120.0° |
| C34 | C31 | N38 | H33 | 20.8° | 87.0° |
| C15 | C34 | C31 | C22 | 66.6° | 175.0° |
| C34 | C15 | C9 | C10 | 180.0° | 180.0° |
| C34 | C15 | C9 | O43 | 180.0° | 179.6° |
| C34 | C15 | C10 | C3 | 0.0° | 0.0° |
| C34 | C15 | C10 | C16 | 180.0° | 179.5° |
| C15 | C34 | C31 | H20 | 51.7° | 54.4° |
| C15 | C34 | H24 | H25 | 118.6° | 120.0° |
| C34 | C15 | C9 | H31 | 0.0° | 0.0° |
| C26 | O44 | C29 | C30 | 134.9° | 81.1° |
| O44 | C26 | C20 | H4 | 80.4° | 82.9° |
| O44 | C26 | H9 | H10 | 120.2° | 120.5° |
| C26 | O44 | C29 | H15 | 14.6° | 158.9° |
| C26 | O44 | C29 | H16 | 104.9° | 38.9° |
| O44 | C29 | C30 | H15 | 120.3° | 120.1° |
| O44 | C29 | C30 | H16 | 120.2° | 120.0° |
| O44 | C29 | C30 | O45 | 82.5° | 105.1° |
| C29 | O44 | C26 | H9 | 12.9° | 14.7° |
| C29 | O44 | C26 | H10 | 107.3° | 105.8° |
| O44 | C29 | H15 | H16 | 119.2° | 119.9° |
| O44 | C29 | C30 | H18 | 37.8° | 15.0° |
| O44 | C29 | C30 | H19 | 157.1° | 134.9° |
| C31 | C22 | N39 | C27 | 179.8° | 178.9° |
| C31 | C22 | N39 | C33 | 0.1° | 1.2° |
| C22 | C31 | C34 | H24 | 53.9° | 65.0° |
| C22 | C31 | C34 | H25 | 173.0° | 55.0° |
| C22 | C31 | N38 | H33 | 101.6° | 32.8° |
| C22 | N39 | C27 | C33 | 179.9° | 179.9° |
| C22 | N39 | C27 | C28 | 110.6° | 154.0° |
| C22 | N39 | C27 | H11 | 10.1° | 86.0° |
| C22 | N39 | C27 | H12 | 128.6° | 34.2° |
| N39 | C22 | C31 | H20 | 4.8° | 6.9° |
| C22 | N39 | C33 | H21 | 180.0° | 84.8° |
| C22 | N39 | C33 | H22 | 60.0° | 155.2° |
| C22 | N39 | C33 | H23 | 60.0° | 35.2° |
| C15 | C9 | O43 | H31 | 180.0° | 179.6° |
| C9 | C15 | C10 | C3 | 180.0° | 180.0° |
| C9 | C15 | C10 | C16 | 0.0° | 0.5° |
| C15 | C9 | O43 | C16 | 0.0° | 0.2° |
| C9 | C15 | C34 | H24 | 21.9° | 25.0° |
| C9 | C15 | C34 | H25 | 141.0° | 145.0° |
| C10 | C15 | C9 | O43 | 0.1° | 0.4° |
| C15 | C10 | C3 | C16 | 180.0° | 179.4° |
| C15 | C10 | C16 | O43 | 0.0° | 0.4° |
| C15 | C10 | C3 | C1 | 179.9° | 180.0° |
| C15 | C10 | C16 | C4 | 179.9° | 179.6° |
| C15 | C10 | C3 | H17 | 0.1° | 0.1° |
| C10 | C15 | C34 | H24 | 158.2° | 155.0° |
| C10 | C15 | C34 | H25 | 39.1° | 35.0° |
| C10 | C15 | C9 | H31 | 179.9° | 180.0° |
| C9 | O43 | C16 | C10 | 0.0° | 0.1° |
| C9 | O43 | C16 | C4 | 179.9° | 179.3° |
| C29 | C30 | O45 | H18 | 120.3° | 120.1° |
| C29 | C30 | O45 | H19 | 120.3° | 120.1° |
| C29 | C30 | O45 | C28 | 133.2° | 168.8° |
| C30 | C29 | H15 | H16 | 119.2° | 119.8° |
| C29 | C30 | H18 | H19 | 119.0° | 119.9° |
| C30 | O45 | C28 | C27 | 123.6° | 156.8° |
| C30 | O45 | C28 | H13 | 3.2° | 83.2° |
| C30 | O45 | C28 | H14 | 116.0° | 36.6° |
| O45 | C30 | C29 | H15 | 157.2° | 15.0° |
| O45 | C30 | C29 | H16 | 37.7° | 134.9° |
| O45 | C30 | H18 | H19 | 119.0° | 119.8° |
| O45 | C28 | C27 | N39 | 83.1° | 132.2° |
| O45 | C28 | C27 | H13 | 120.4° | 120.1° |
| O45 | C28 | C27 | H14 | 120.4° | 120.1° |
| O45 | C28 | C27 | H11 | 37.6° | 107.9° |
| O45 | C28 | C27 | H12 | 156.1° | 12.2° |
| O45 | C28 | H13 | H14 | 118.8° | 119.9° |
| C28 | O45 | C30 | H18 | 106.5° | 71.1° |
| C28 | O45 | C30 | H19 | 12.9° | 48.8° |
| C3 | C10 | C16 | O43 | 180.0° | 180.0° |
| C10 | C3 | C1 | H17 | 180.0° | 179.9° |
| C3 | C10 | C16 | C4 | 0.1° | 0.8° |
| C10 | C3 | C1 | C2 | 0.0° | 0.0° |
| C10 | C3 | C1 | H1 | 180.0° | 179.7° |
| C10 | C16 | O43 | C4 | 179.9° | 179.1° |
| C16 | C10 | C3 | C1 | 0.1° | 0.5° |
| C10 | C16 | C4 | C2 | 0.0° | 0.5° |
| C16 | C10 | C3 | H17 | 179.9° | 179.5° |
| C10 | C16 | C4 | H26 | 180.0° | 180.0° |
| N39 | C27 | C28 | H11 | 120.7° | 120.0° |
| N39 | C27 | C28 | H12 | 120.7° | 119.9° |
| N39 | C27 | H11 | H12 | 117.8° | 120.1° |
| N39 | C27 | C28 | H13 | 37.3° | 107.8° |
| N39 | C27 | C28 | H14 | 156.5° | 12.0° |
| C27 | N39 | C33 | H21 | 0.1° | 95.3° |
| C27 | N39 | C33 | H22 | 120.2° | 24.7° |
| C27 | N39 | C33 | H23 | 119.9° | 144.7° |
| C33 | N39 | C27 | C28 | 69.2° | 26.0° |
| C33 | N39 | C27 | H11 | 170.1° | 93.9° |
| C33 | N39 | C27 | H12 | 51.5° | 145.9° |
| N39 | C33 | H21 | H22 | 120.0° | 120.0° |
| N39 | C33 | H21 | H23 | 120.0° | 120.0° |
| N39 | C33 | H22 | H23 | 120.0° | 120.0° |
| O43 | C16 | C4 | C2 | 179.9° | 179.5° |
| O43 | C16 | C4 | H26 | 0.1° | 0.9° |
| C16 | O43 | C9 | H31 | 180.0° | 179.8° |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C3 | C1 | C2 | C4 | 0.1° | 0.3° |
| C3 | C1 | C2 | H3 | 179.9° | 179.8° |
| C28 | C27 | H11 | H12 | 117.8° | 120.1° |
| C27 | C28 | H13 | H14 | 118.8° | 119.9° |
| C16 | C4 | C2 | C1 | 0.1° | 0.0° |
| C16 | C4 | C2 | H26 | 180.0° | 179.5° |
| C16 | C4 | C2 | H3 | 179.9° | 180.0° |
| C1 | C2 | C4 | H3 | 180.0° | 180.0° |
| C2 | C1 | C3 | H17 | 180.0° | 179.9° |
| C1 | C2 | C4 | H26 | 179.9° | 179.5° |
| C4 | C2 | C1 | H1 | 180.0° | 180.0° |
| H1 | C1 | C2 | H3 | 0.0° | 0.0° |
| H1 | C1 | C3 | H17 | 0.1° | 0.2° |
| H2 | C19 | C20 | H4 | 180.0° | 177.2° |
| H3 | C2 | C4 | H26 | 0.1° | 0.5° |
| H4 | C20 | C26 | H9 | 39.5° | 36.8° |
| H4 | C20 | C26 | H10 | 159.7° | 157.3° |
| H11 | C27 | C28 | H13 | 158.0° | 12.2° |
| H11 | C27 | C28 | H14 | 82.8° | 132.0° |
| H12 | C27 | C28 | H13 | 83.4° | 132.3° |
| H12 | C27 | C28 | H14 | 35.8° | 107.9° |
| H15 | C29 | C30 | H18 | 82.5° | 135.1° |
| H15 | C29 | C30 | H19 | 36.8° | 105.0° |
| H16 | C29 | C30 | H18 | 158.0° | 105.0° |
| H16 | C29 | C30 | H19 | 82.6° | 14.9° |
| H20 | C31 | C34 | H24 | 172.2° | 174.4° |
| H20 | C31 | C34 | H25 | 68.7° | 65.6° |
| H20 | C31 | N38 | H33 | 140.2° | 152.4° |
| H21 | C33 | H22 | H23 | 120.0° | 120.0° |
