4QJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.55Å | 1.52Å | |
| C24 | C26 | sing | 1.54Å | 1.51Å | |
| C23 | C25 | sing | 1.55Å | 1.52Å | |
| C26 | C27 | sing | 1.55Å | 1.52Å | |
| C26 | N32 | sing | 1.46Å | 1.48Å | |
| F38 | C19 | sing | 1.35Å | 1.35Å | |
| C25 | C27 | sing | 1.54Å | 1.52Å | |
| C27 | N34 | sing | 1.47Å | 1.45Å | |
| N32 | C22 | doub | 1.31Å | 1.30Å | |
| C19 | N30 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| N30 | C17 | sing | 1.33Å | 1.34Å | Aromatic |
| N34 | C22 | sing | 1.37Å | 1.36Å | |
| N34 | C18 | sing | 1.40Å | 1.36Å | |
| C22 | N35 | sing | 1.39Å | 1.40Å | |
| C12 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| N31 | C18 | doub | 1.30Å | 1.33Å | Aromatic |
| N31 | N33 | sing | 1.40Å | 1.34Å | Aromatic |
| C18 | C14 | sing | 1.47Å | 1.41Å | Aromatic |
| C17 | C13 | sing | 1.48Å | 1.46Å | |
| C17 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N35 | C28 | sing | 1.47Å | 1.45Å | |
| N35 | C21 | sing | 1.34Å | 1.40Å | |
| C4 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C29 | sing | 1.51Å | 1.50Å | |
| C15 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| N33 | C29 | sing | 1.46Å | 1.45Å | |
| N33 | C20 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | C21 | sing | 1.46Å | 1.45Å | |
| C14 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | O37 | doub | 1.22Å | 1.23Å | |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N36 | sing | 1.38Å | 1.37Å | |
| N36 | C16 | sing | 1.40Å | 1.42Å | |
| C10 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å | |
| C3 | H15 | sing | 1.08Å | 1.08Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| N36 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C26 | 105.0° | 104.3° |
| C24 | C23 | C25 | 105.6° | 102.7° |
| C23 | C24 | H7 | 110.6° | 110.5° |
| C23 | C24 | H8 | 110.6° | 110.5° |
| C24 | C23 | H19 | 110.4° | 110.7° |
| C24 | C23 | H20 | 110.5° | 110.8° |
| C24 | C26 | C27 | 108.0° | 106.4° |
| C24 | C26 | N32 | 110.0° | 109.5° |
| C26 | C24 | H7 | 110.6° | 110.4° |
| C26 | C24 | H8 | 110.6° | 110.5° |
| C24 | C26 | H9 | 110.0° | 111.9° |
| C23 | C25 | C27 | 107.6° | 104.3° |
| C25 | C23 | H19 | 110.5° | 110.8° |
| C25 | C23 | H20 | 110.4° | 110.8° |
| C23 | C25 | H21 | 109.9° | 110.5° |
| C23 | C25 | H22 | 109.9° | 110.5° |
| C27 | C26 | N32 | 108.6° | 103.8° |
| C26 | C27 | C25 | 105.8° | 106.5° |
| C26 | C27 | N34 | 99.6° | 103.2° |
| C27 | C26 | H9 | 109.8° | 112.0° |
| C26 | C27 | H23 | 113.1° | 112.4° |
| C26 | N32 | C22 | 105.4° | 110.9° |
| N32 | C26 | H9 | 110.3° | 112.7° |
| F38 | C19 | N30 | 115.8° | 119.5° |
| F38 | C19 | C12 | 118.9° | 119.6° |
| C25 | C27 | N34 | 109.9° | 109.2° |
| C27 | C25 | H21 | 110.0° | 110.4° |
| C27 | C25 | H22 | 109.9° | 110.4° |
| C25 | C27 | H23 | 113.1° | 112.3° |
| C27 | N34 | C22 | 111.2° | 109.1° |
| C27 | N34 | C18 | 128.5° | 129.8° |
| N34 | C27 | H23 | 114.2° | 112.8° |
| N32 | C22 | N34 | 114.9° | 112.9° |
| N32 | C22 | N35 | 123.8° | 126.2° |
| N30 | C19 | C12 | 125.3° | 120.8° |
| C19 | N30 | C17 | 116.3° | 121.6° |
| C19 | C12 | C4 | 117.5° | 119.4° |
| C19 | C12 | H18 | 121.2° | 120.3° |
| N30 | C17 | C13 | 115.5° | 119.7° |
| N30 | C17 | C11 | 122.1° | 120.6° |
| C22 | N34 | C18 | 120.3° | 121.0° |
| N34 | C22 | N35 | 121.3° | 120.9° |
| N34 | C18 | N31 | 129.9° | 134.5° |
| N34 | C18 | C14 | 118.9° | 118.5° |
| C22 | N35 | C28 | 117.1° | 118.6° |
| C22 | N35 | C21 | 122.9° | 122.7° |
| C12 | C4 | C11 | 118.4° | 118.6° |
| C12 | C4 | H1 | 120.8° | 120.7° |
| C4 | C12 | H18 | 121.3° | 120.3° |
| C8 | C6 | C13 | 121.4° | 119.8° |
| C6 | C8 | C15 | 120.5° | 120.2° |
| C8 | C6 | H3 | 119.3° | 120.1° |
| C6 | C8 | H5 | 119.7° | 119.9° |
| C6 | C13 | C17 | 120.1° | 120.1° |
| C6 | C13 | C5 | 117.9° | 119.8° |
| C13 | C6 | H3 | 119.3° | 120.1° |
| C8 | C15 | C29 | 119.9° | 119.9° |
| C8 | C15 | C7 | 118.3° | 120.2° |
| C15 | C8 | H5 | 119.7° | 120.0° |
| C18 | N31 | N33 | 104.4° | 109.4° |
| N31 | C18 | C14 | 111.2° | 107.1° |
| N31 | N33 | C29 | 116.5° | 125.2° |
| N31 | N33 | C20 | 114.1° | 109.7° |
| C18 | C14 | C21 | 123.5° | 118.0° |
| C18 | C14 | C20 | 105.9° | 106.6° |
| C13 | C17 | C11 | 122.4° | 119.7° |
| C17 | C13 | C5 | 122.0° | 120.1° |
| C17 | C11 | C4 | 120.4° | 119.1° |
| C17 | C11 | H17 | 119.8° | 120.4° |
| C13 | C5 | C7 | 120.5° | 119.9° |
| C13 | C5 | H2 | 119.7° | 120.1° |
| C28 | N35 | C21 | 118.7° | 118.7° |
| N35 | C28 | H10 | 109.5° | 109.4° |
| N35 | C28 | H11 | 109.5° | 109.4° |
| N35 | C28 | H12 | 109.4° | 109.5° |
| N35 | C21 | C14 | 113.0° | 119.0° |
| N35 | C21 | O37 | 125.1° | 120.5° |
| C11 | C4 | H1 | 120.8° | 120.7° |
| C4 | C11 | H17 | 119.8° | 120.5° |
| C29 | C15 | C7 | 121.7° | 119.9° |
| C15 | C29 | N33 | 108.0° | 109.5° |
| C15 | C29 | H24 | 109.9° | 109.4° |
| C15 | C29 | H25 | 109.9° | 109.4° |
| C15 | C7 | C5 | 121.3° | 120.1° |
| C15 | C7 | H4 | 119.3° | 119.9° |
| C29 | N33 | C20 | 129.5° | 125.2° |
| N33 | C29 | H24 | 109.8° | 109.5° |
| N33 | C29 | H25 | 109.8° | 109.5° |
| N33 | C20 | C14 | 104.3° | 107.2° |
| N33 | C20 | N36 | 123.3° | 126.4° |
| C21 | C14 | C20 | 130.6° | 135.5° |
| C14 | C21 | O37 | 121.9° | 120.5° |
| C14 | C20 | N36 | 132.3° | 126.4° |
| C7 | C5 | H2 | 119.8° | 120.0° |
| C5 | C7 | H4 | 119.3° | 120.0° |
| C20 | N36 | C16 | 126.6° | 120.0° |
| C20 | N36 | H26 | 116.7° | 120.0° |
| N36 | C16 | C10 | 122.2° | 120.1° |
| N36 | C16 | C9 | 119.1° | 120.1° |
| C16 | N36 | H26 | 116.7° | 120.0° |
| C16 | C10 | C3 | 120.1° | 120.0° |
| C10 | C16 | C9 | 118.7° | 119.8° |
| C16 | C10 | H6 | 119.9° | 120.0° |
| C10 | C3 | C1 | 120.4° | 120.0° |
| C3 | C10 | H6 | 120.0° | 120.0° |
| C10 | C3 | H15 | 119.8° | 120.0° |
| C16 | C9 | C2 | 121.8° | 119.9° |
| C16 | C9 | H16 | 119.1° | 120.0° |
| C3 | C1 | C2 | 120.4° | 120.2° |
| C3 | C1 | H13 | 119.8° | 119.9° |
| C1 | C3 | H15 | 119.8° | 119.9° |
| C9 | C2 | C1 | 118.7° | 120.1° |
| C9 | C2 | H14 | 120.6° | 120.0° |
| C2 | C9 | H16 | 119.1° | 120.0° |
| C2 | C1 | H13 | 119.8° | 119.9° |
| C1 | C2 | H14 | 120.7° | 119.9° |
| H7 | C24 | H8 | 109.4° | 110.5° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.5° | 109.5° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 110.8° |
| H21 | C25 | H22 | 109.5° | 110.5° |
| H24 | C29 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C26 | H7 | 119.3° | 118.7° |
| C23 | C24 | C26 | H8 | 119.3° | 118.7° |
| C24 | C23 | C25 | H19 | 119.4° | 118.3° |
| C24 | C23 | C25 | H20 | 119.4° | 118.3° |
| C23 | C24 | C26 | C27 | 24.4° | 23.9° |
| C23 | C24 | C26 | N32 | 93.9° | 87.8° |
| C24 | C23 | C25 | C27 | 22.6° | 38.0° |
| C23 | C24 | H7 | H8 | 122.1° | 122.6° |
| C23 | C24 | C26 | H9 | 144.3° | 146.5° |
| C24 | C23 | H19 | H20 | 121.8° | 123.3° |
| C24 | C23 | C25 | H21 | 142.4° | 156.7° |
| C24 | C23 | C25 | H22 | 97.1° | 80.6° |
| C26 | C24 | C23 | C25 | 28.7° | 38.2° |
| C24 | C26 | C27 | N32 | 119.3° | 115.6° |
| C24 | C26 | C27 | H9 | 120.0° | 122.6° |
| C24 | C26 | N32 | H9 | 121.6° | 125.3° |
| C24 | C26 | C27 | C25 | 10.6° | 0.3° |
| C24 | C26 | C27 | N34 | 124.5° | 115.2° |
| C24 | C26 | N32 | C22 | 122.6° | 113.0° |
| C26 | C24 | H7 | H8 | 122.1° | 122.6° |
| C26 | C24 | C23 | H19 | 90.7° | 80.1° |
| C26 | C24 | C23 | H20 | 148.1° | 156.5° |
| C24 | C26 | C27 | H23 | 113.8° | 123.1° |
| C23 | C25 | C27 | C26 | 7.6° | 23.5° |
| C23 | C25 | C27 | H21 | 119.7° | 118.7° |
| C23 | C25 | C27 | H22 | 119.7° | 118.7° |
| C23 | C25 | C27 | N34 | 99.1° | 87.3° |
| C25 | C23 | C24 | H7 | 90.6° | 156.9° |
| C25 | C23 | C24 | H8 | 148.0° | 80.5° |
| C25 | C23 | H19 | H20 | 121.8° | 123.3° |
| C23 | C25 | H21 | H22 | 120.8° | 122.6° |
| C23 | C25 | C27 | H23 | 131.9° | 146.9° |
| C27 | C26 | N32 | H9 | 120.4° | 121.4° |
| C26 | C27 | C25 | N34 | 106.7° | 110.7° |
| C26 | C27 | C25 | H23 | 124.4° | 123.4° |
| C26 | C27 | N34 | H23 | 120.8° | 121.5° |
| C27 | C26 | N32 | C22 | 4.5° | 0.3° |
| C26 | C27 | N34 | C22 | 4.3° | 0.4° |
| C26 | C27 | N34 | C18 | 172.7° | 179.5° |
| C27 | C26 | C24 | H7 | 94.9° | 142.6° |
| C27 | C26 | C24 | H8 | 143.7° | 94.8° |
| C26 | C27 | C25 | H21 | 127.3° | 142.2° |
| C26 | C27 | C25 | H22 | 112.1° | 95.3° |
| N32 | C26 | C27 | C25 | 108.7° | 115.3° |
| N32 | C26 | C27 | N34 | 5.2° | 0.4° |
| C26 | N32 | C22 | N34 | 1.8° | 0.1° |
| C26 | N32 | C22 | N35 | 179.6° | 180.0° |
| N32 | C26 | C24 | H7 | 146.7° | 30.9° |
| N32 | C26 | C24 | H8 | 25.3° | 153.5° |
| N32 | C26 | C27 | H23 | 126.9° | 121.4° |
| F38 | C19 | N30 | C12 | 180.0° | 179.8° |
| F38 | C19 | N30 | C17 | 179.3° | 179.9° |
| F38 | C19 | C12 | C4 | 179.8° | 179.8° |
| F38 | C19 | C12 | H18 | 0.2° | 0.2° |
| C25 | C27 | N34 | H23 | 128.4° | 125.5° |
| C25 | C27 | N34 | C22 | 106.5° | 113.3° |
| C25 | C27 | N34 | C18 | 76.5° | 66.6° |
| C25 | C27 | C26 | H9 | 130.5° | 122.9° |
| C27 | C25 | C23 | H19 | 96.7° | 80.3° |
| C27 | C25 | C23 | H20 | 142.0° | 156.4° |
| C27 | C25 | H21 | H22 | 120.9° | 122.5° |
| C27 | N34 | C22 | N32 | 1.8° | 0.2° |
| C27 | N34 | C22 | C18 | 177.3° | 179.9° |
| C27 | N34 | C22 | N35 | 176.8° | 179.7° |
| C27 | N34 | C18 | N31 | 0.4° | 0.1° |
| C27 | N34 | C18 | C14 | 179.8° | 179.9° |
| N34 | C27 | C26 | H9 | 115.5° | 122.3° |
| N34 | C27 | C25 | H21 | 20.6° | 31.5° |
| N34 | C27 | C25 | H22 | 141.2° | 154.0° |
| N32 | C22 | N34 | N35 | 178.7° | 179.9° |
| N32 | C22 | N34 | C18 | 175.4° | 179.7° |
| N32 | C22 | N35 | C28 | 9.8° | 0.1° |
| N32 | C22 | N35 | C21 | 176.6° | 179.8° |
| C22 | N32 | C26 | H9 | 115.9° | 121.7° |
| N30 | C19 | C12 | C4 | 0.2° | 0.0° |
| C19 | N30 | C17 | C13 | 179.6° | 180.0° |
| C19 | N30 | C17 | C11 | 0.5° | 0.6° |
| N30 | C19 | C12 | H18 | 179.8° | 180.0° |
| C12 | C19 | N30 | C17 | 0.7° | 0.3° |
| C19 | C12 | C4 | H18 | 180.0° | 179.9° |
| C19 | C12 | C4 | C11 | 0.5° | 0.0° |
| C19 | C12 | C4 | H1 | 179.5° | 179.7° |
| N30 | C17 | C13 | C6 | 16.5° | 0.5° |
| N30 | C17 | C13 | C11 | 179.1° | 179.5° |
| N30 | C17 | C13 | C5 | 161.9° | 179.4° |
| N30 | C17 | C11 | C4 | 0.2° | 0.5° |
| N30 | C17 | C11 | H17 | 179.8° | 179.4° |
| C22 | N34 | C18 | N31 | 176.4° | 179.8° |
| C22 | N34 | C18 | C14 | 3.0° | 0.2° |
| N34 | C22 | N35 | C28 | 171.6° | 179.8° |
| N34 | C22 | N35 | C21 | 4.8° | 0.3° |
| C22 | N34 | C27 | H23 | 125.1° | 121.2° |
| C18 | N34 | C22 | N35 | 5.9° | 0.4° |
| N34 | C18 | N31 | C14 | 179.4° | 180.0° |
| N34 | C18 | N31 | N33 | 179.4° | 179.8° |
| N34 | C18 | C14 | C21 | 1.0° | 0.0° |
| N34 | C18 | C14 | C20 | 179.9° | 180.0° |
| C18 | N34 | C27 | H23 | 51.9° | 58.9° |
| C22 | N35 | C28 | C21 | 167.4° | 179.9° |
| C22 | N35 | C21 | C14 | 0.8° | 0.1° |
| C22 | N35 | C21 | O37 | 179.4° | 179.9° |
| C22 | N35 | C28 | H10 | 180.0° | 90.0° |
| C22 | N35 | C28 | H11 | 60.0° | 150.1° |
| C22 | N35 | C28 | H12 | 60.0° | 30.0° |
| C12 | C4 | C11 | C17 | 0.7° | 0.2° |
| C12 | C4 | C11 | H1 | 180.0° | 179.8° |
| C12 | C4 | C11 | H17 | 179.3° | 179.7° |
| C8 | C6 | C13 | H3 | 180.0° | 179.2° |
| C6 | C8 | C15 | H5 | 180.0° | 179.2° |
| C8 | C6 | C13 | C17 | 178.5° | 179.5° |
| C8 | C6 | C13 | C5 | 0.0° | 0.5° |
| C6 | C8 | C15 | C29 | 179.8° | 180.0° |
| C6 | C8 | C15 | C7 | 0.2° | 0.5° |
| C13 | C6 | C8 | C15 | 0.1° | 0.8° |
| C6 | C13 | C17 | C5 | 178.4° | 180.0° |
| C6 | C13 | C17 | C11 | 164.4° | 180.0° |
| C6 | C13 | C5 | C7 | 0.1° | 0.0° |
| C6 | C13 | C5 | H2 | 180.0° | 179.7° |
| C13 | C6 | C8 | H5 | 179.9° | 180.0° |
| C8 | C15 | C29 | C7 | 179.9° | 179.5° |
| C8 | C15 | C29 | N33 | 78.3° | 94.7° |
| C8 | C15 | C7 | C5 | 0.1° | 0.0° |
| C15 | C8 | C6 | H3 | 179.9° | 180.0° |
| C8 | C15 | C7 | H4 | 179.9° | 180.0° |
| C8 | C15 | C29 | H24 | 41.5° | 145.3° |
| C8 | C15 | C29 | H25 | 162.0° | 25.3° |
| C18 | N31 | N33 | C29 | 178.5° | 180.0° |
| C18 | N31 | N33 | C20 | 0.4° | 0.3° |
| N31 | C18 | C14 | C21 | 179.5° | 180.0° |
| N31 | C18 | C14 | C20 | 0.4° | 0.0° |
| N33 | N31 | C18 | C14 | 0.0° | 0.2° |
| N31 | N33 | C29 | C15 | 86.2° | 85.5° |
| N31 | N33 | C29 | C20 | 178.8° | 179.6° |
| N31 | N33 | C20 | C14 | 0.7° | 0.3° |
| N31 | N33 | C20 | N36 | 179.5° | 179.9° |
| N31 | N33 | C29 | H24 | 33.6° | 34.5° |
| N31 | N33 | C29 | H25 | 154.0° | 154.5° |
| C18 | C14 | C21 | N35 | 2.0° | 0.0° |
| C18 | C14 | C20 | N33 | 0.6° | 0.2° |
| C18 | C14 | C21 | C20 | 178.9° | 180.0° |
| C18 | C14 | C21 | O37 | 176.6° | 179.9° |
| C18 | C14 | C20 | N36 | 179.3° | 180.0° |
| C13 | C17 | C11 | C4 | 178.8° | 180.0° |
| C17 | C13 | C5 | C7 | 178.4° | 180.0° |
| C17 | C13 | C5 | H2 | 1.6° | 0.3° |
| C17 | C13 | C6 | H3 | 1.5° | 0.3° |
| C13 | C17 | C11 | H17 | 1.2° | 0.0° |
| C11 | C17 | C13 | C5 | 17.1° | 0.0° |
| C17 | C11 | C4 | H17 | 180.0° | 180.0° |
| C17 | C11 | C4 | H1 | 179.3° | 180.0° |
| C13 | C5 | C7 | C15 | 0.0° | 0.3° |
| C13 | C5 | C7 | H2 | 180.0° | 179.7° |
| C5 | C13 | C6 | H3 | 180.0° | 179.7° |
| C13 | C5 | C7 | H4 | 179.9° | 179.8° |
| C28 | N35 | C21 | C14 | 167.4° | 180.0° |
| C28 | N35 | C21 | O37 | 14.0° | 0.0° |
| N35 | C28 | H10 | H11 | 120.0° | 119.9° |
| N35 | C28 | H10 | H12 | 120.0° | 120.0° |
| N35 | C28 | H11 | H12 | 120.0° | 120.0° |
| N35 | C21 | C14 | O37 | 178.6° | 180.0° |
| N35 | C21 | C14 | C20 | 179.1° | 180.0° |
| C21 | N35 | C28 | H10 | 12.6° | 89.9° |
| C21 | N35 | C28 | H11 | 107.4° | 30.0° |
| C21 | N35 | C28 | H12 | 132.6° | 150.0° |
| C11 | C4 | C12 | H18 | 179.5° | 180.0° |
| C15 | C29 | N33 | H24 | 119.8° | 120.0° |
| C15 | C29 | N33 | H25 | 119.8° | 120.0° |
| C15 | C29 | N33 | C20 | 92.6° | 94.9° |
| C29 | C15 | C7 | C5 | 179.8° | 179.5° |
| C29 | C15 | C7 | H4 | 0.1° | 0.5° |
| C29 | C15 | C8 | H5 | 0.2° | 0.8° |
| C15 | C29 | H24 | H25 | 120.7° | 120.0° |
| C7 | C15 | C29 | N33 | 101.8° | 84.8° |
| C15 | C7 | C5 | H4 | 180.0° | 180.0° |
| C15 | C7 | C5 | H2 | 180.0° | 179.9° |
| C7 | C15 | C8 | H5 | 179.9° | 179.7° |
| C7 | C15 | C29 | H24 | 138.4° | 35.2° |
| C7 | C15 | C29 | H25 | 18.0° | 155.2° |
| C29 | N33 | C20 | C14 | 178.1° | 180.0° |
| C29 | N33 | C20 | N36 | 0.7° | 0.2° |
| N33 | C29 | H24 | H25 | 120.7° | 120.0° |
| N33 | C20 | C14 | C21 | 179.6° | 179.8° |
| N33 | C20 | C14 | N36 | 178.7° | 179.8° |
| N33 | C20 | N36 | C16 | 56.9° | 91.8° |
| C20 | N33 | C29 | H24 | 147.6° | 145.1° |
| C20 | N33 | C29 | H25 | 27.2° | 25.1° |
| N33 | C20 | N36 | H26 | 123.1° | 88.1° |
| C21 | C14 | C20 | N36 | 1.7° | 0.0° |
| C20 | C14 | C21 | O37 | 2.3° | 0.0° |
| C14 | C20 | N36 | C16 | 124.7° | 88.4° |
| C14 | C20 | N36 | H26 | 55.3° | 91.6° |
| C20 | N36 | C16 | H26 | 180.0° | 179.9° |
| C20 | N36 | C16 | C10 | 24.3° | 173.4° |
| C20 | N36 | C16 | C9 | 155.6° | 6.7° |
| N36 | C16 | C10 | C9 | 179.9° | 179.9° |
| N36 | C16 | C10 | C3 | 179.6° | 180.0° |
| N36 | C16 | C9 | C2 | 179.8° | 179.9° |
| N36 | C16 | C10 | H6 | 0.4° | 0.2° |
| N36 | C16 | C9 | H16 | 0.2° | 0.0° |
| C16 | C10 | C3 | H6 | 180.0° | 179.8° |
| C16 | C10 | C3 | C1 | 0.3° | 0.0° |
| C10 | C16 | C9 | C2 | 0.2° | 0.0° |
| C16 | C10 | C3 | H15 | 179.7° | 180.0° |
| C10 | C16 | C9 | H16 | 179.8° | 180.0° |
| C10 | C16 | N36 | H26 | 155.6° | 6.6° |
| C3 | C10 | C16 | C9 | 0.3° | 0.0° |
| C10 | C3 | C1 | H15 | 180.0° | 179.9° |
| C10 | C3 | C1 | C2 | 0.1° | 0.0° |
| C10 | C3 | C1 | H13 | 179.9° | 180.0° |
| C16 | C9 | C2 | H16 | 180.0° | 180.0° |
| C16 | C9 | C2 | C1 | 0.0° | 0.0° |
| C9 | C16 | C10 | H6 | 179.7° | 179.7° |
| C16 | C9 | C2 | H14 | 180.0° | 180.0° |
| C9 | C16 | N36 | H26 | 24.4° | 173.4° |
| C3 | C1 | C2 | C9 | 0.1° | 0.0° |
| C3 | C1 | C2 | H13 | 180.0° | 180.0° |
| C1 | C3 | C10 | H6 | 179.8° | 179.7° |
| C3 | C1 | C2 | H14 | 180.0° | 180.0° |
| C9 | C2 | C1 | H14 | 180.0° | 179.9° |
| C9 | C2 | C1 | H13 | 180.0° | 180.0° |
| C2 | C1 | C3 | H15 | 179.9° | 179.9° |
| C1 | C2 | C9 | H16 | 180.0° | 180.0° |
| H1 | C4 | C11 | H17 | 0.7° | 0.0° |
| H1 | C4 | C12 | H18 | 0.5° | 0.2° |
| H2 | C5 | C7 | H4 | 0.0° | 0.1° |
| H3 | C6 | C8 | H5 | 0.1° | 0.8° |
| H6 | C10 | C3 | H15 | 0.3° | 0.2° |
| H7 | C24 | C26 | H9 | 25.0° | 94.8° |
| H7 | C24 | C23 | H19 | 150.0° | 38.5° |
| H7 | C24 | C23 | H20 | 28.8° | 84.8° |
| H8 | C24 | C26 | H9 | 96.4° | 27.8° |
| H8 | C24 | C23 | H19 | 28.6° | 161.1° |
| H8 | C24 | C23 | H20 | 92.6° | 37.8° |
| H9 | C26 | C27 | H23 | 6.1° | 0.5° |
| H10 | C28 | H11 | H12 | 120.0° | 120.1° |
| H13 | C1 | C2 | H14 | 0.0° | 0.0° |
| H13 | C1 | C3 | H15 | 0.1° | 0.1° |
| H14 | C2 | C9 | H16 | 0.0° | 0.0° |
| H19 | C23 | C25 | H21 | 23.0° | 38.4° |
| H19 | C23 | C25 | H22 | 143.6° | 161.1° |
| H20 | C23 | C25 | H21 | 98.2° | 84.9° |
| H20 | C23 | C25 | H22 | 22.3° | 37.7° |
| H21 | C25 | C27 | H23 | 108.4° | 94.4° |
| H22 | C25 | C27 | H23 | 12.2° | 28.2° |
