4GQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C24 | sing | 1.53Å | 1.52Å | |
| C22 | C7 | sing | 1.51Å | 1.48Å | |
| C24 | N31 | sing | 1.47Å | 1.45Å | |
| C7 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| N31 | C25 | sing | 1.47Å | 1.45Å | |
| O37 | C29 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | CL2 | sing | 1.74Å | 1.70Å | |
| O35 | C14 | doub | 1.21Å | 1.22Å | |
| C11 | CL1 | sing | 1.74Å | 1.71Å | |
| C25 | C23 | sing | 1.53Å | 1.51Å | |
| C29 | C8 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C2 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C23 | sing | 1.51Å | 1.51Å | |
| C14 | N33 | sing | 1.35Å | 1.39Å | |
| C1 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N32 | C28 | sing | 1.47Å | 1.45Å | |
| N32 | C26 | sing | 1.47Å | 1.44Å | |
| C10 | O36 | sing | 1.36Å | 1.39Å | |
| C10 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| O36 | C15 | sing | 1.43Å | 1.42Å | |
| C9 | N30 | sing | 1.40Å | 1.39Å | |
| C27 | N33 | sing | 1.47Å | 1.45Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| N33 | C21 | sing | 1.46Å | 1.46Å | |
| N30 | C13 | sing | 1.35Å | 1.38Å | |
| C15 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | O34 | doub | 1.21Å | 1.22Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C20 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.09Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| N30 | H35 | sing | 0.97Å | 1.00Å | |
| N31 | H36 | sing | 1.01Å | 1.00Å | |
| N32 | H38 | sing | 1.01Å | 1.00Å | |
| O37 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C22 | C7 | 111.5° | 109.5° |
| C22 | C24 | N31 | 114.4° | 109.5° |
| C24 | C22 | H11 | 108.9° | 109.5° |
| C24 | C22 | H12 | 108.9° | 109.4° |
| C22 | C24 | H13 | 108.2° | 109.5° |
| C22 | C24 | H14 | 108.2° | 109.4° |
| C22 | C7 | C3 | 121.6° | 120.0° |
| C22 | C7 | C6 | 117.3° | 119.9° |
| C7 | C22 | H11 | 108.9° | 109.5° |
| C7 | C22 | H12 | 109.0° | 109.5° |
| C24 | N31 | C25 | 105.3° | 111.0° |
| N31 | C24 | H13 | 108.2° | 109.5° |
| N31 | C24 | H14 | 108.2° | 109.5° |
| C24 | N31 | H36 | 110.5° | 111.0° |
| C3 | C7 | C6 | 121.1° | 120.0° |
| C7 | C3 | C5 | 120.6° | 120.0° |
| C7 | C3 | H21 | 119.7° | 120.0° |
| C7 | C6 | C12 | 118.1° | 120.0° |
| C7 | C6 | H3 | 121.0° | 120.0° |
| C3 | C5 | C11 | 118.1° | 120.0° |
| C3 | C5 | H2 | 121.0° | 120.0° |
| C5 | C3 | H21 | 119.7° | 120.0° |
| C6 | C12 | C11 | 121.4° | 119.9° |
| C6 | C12 | CL2 | 117.2° | 120.0° |
| C12 | C6 | H3 | 121.0° | 120.0° |
| C5 | C11 | C12 | 120.8° | 120.0° |
| C5 | C11 | CL1 | 120.3° | 120.1° |
| C11 | C5 | H2 | 120.9° | 120.0° |
| N31 | C25 | C23 | 108.3° | 109.5° |
| N31 | C25 | H30 | 109.7° | 109.5° |
| N31 | C25 | H31 | 109.8° | 109.5° |
| C25 | N31 | H36 | 110.5° | 111.0° |
| O37 | C29 | C8 | 108.5° | 109.5° |
| O37 | C29 | C28 | 108.1° | 109.4° |
| O37 | C29 | H34 | 110.6° | 109.5° |
| C29 | O37 | H40 | 109.5° | 114.1° |
| C11 | C12 | CL2 | 121.4° | 120.0° |
| C12 | C11 | CL1 | 118.9° | 120.0° |
| O35 | C14 | C23 | 121.3° | 120.0° |
| O35 | C14 | N33 | 123.6° | 120.0° |
| C25 | C23 | C14 | 112.7° | 109.5° |
| C25 | C23 | H28 | 108.7° | 109.4° |
| C25 | C23 | H29 | 108.7° | 109.5° |
| C23 | C25 | H30 | 109.8° | 109.4° |
| C23 | C25 | H31 | 109.7° | 109.4° |
| C8 | C29 | C28 | 110.8° | 109.5° |
| C29 | C8 | C2 | 119.0° | 120.1° |
| C29 | C8 | C10 | 123.1° | 120.1° |
| C8 | C29 | H34 | 109.5° | 109.5° |
| C29 | C28 | N32 | 110.3° | 109.5° |
| C29 | C28 | H17 | 109.3° | 109.5° |
| C29 | C28 | H18 | 109.3° | 109.5° |
| C28 | C29 | H34 | 109.4° | 109.5° |
| C8 | C2 | C1 | 122.9° | 120.2° |
| C2 | C8 | C10 | 117.8° | 119.9° |
| C8 | C2 | H20 | 118.6° | 119.9° |
| C2 | C1 | C4 | 118.5° | 120.3° |
| C2 | C1 | H19 | 120.7° | 119.9° |
| C1 | C2 | H20 | 118.6° | 119.9° |
| C8 | C10 | O36 | 121.3° | 120.7° |
| C8 | C10 | C9 | 119.6° | 119.9° |
| C23 | C14 | N33 | 115.1° | 120.0° |
| C14 | C23 | H28 | 108.7° | 109.5° |
| C14 | C23 | H29 | 108.7° | 109.5° |
| C14 | N33 | C27 | 116.9° | 120.0° |
| C14 | N33 | C21 | 121.5° | 120.0° |
| C1 | C4 | C9 | 119.5° | 119.8° |
| C1 | C4 | H1 | 120.2° | 120.1° |
| C4 | C1 | H19 | 120.7° | 119.9° |
| C28 | N32 | C26 | 104.4° | 111.0° |
| N32 | C28 | H17 | 109.3° | 109.4° |
| N32 | C28 | H18 | 109.3° | 109.5° |
| C28 | N32 | H38 | 110.7° | 110.9° |
| N32 | C26 | C27 | 109.9° | 109.5° |
| N32 | C26 | H15 | 109.3° | 109.5° |
| N32 | C26 | H16 | 109.4° | 109.5° |
| C26 | N32 | H38 | 110.7° | 111.0° |
| O36 | C10 | C9 | 119.0° | 119.4° |
| C10 | O36 | C15 | 110.0° | 116.7° |
| C10 | C9 | C4 | 121.6° | 120.0° |
| C10 | C9 | N30 | 118.6° | 119.3° |
| C4 | C9 | N30 | 119.9° | 120.7° |
| C9 | C4 | H1 | 120.2° | 120.1° |
| O36 | C15 | C13 | 108.9° | 109.6° |
| O36 | C15 | H4 | 109.6° | 109.5° |
| O36 | C15 | H5 | 109.6° | 109.4° |
| C9 | N30 | C13 | 119.8° | 119.0° |
| C9 | N30 | H35 | 120.1° | 120.5° |
| N33 | C27 | C26 | 115.1° | 109.5° |
| C27 | N33 | C21 | 118.5° | 120.0° |
| N33 | C27 | H32 | 108.0° | 109.5° |
| N33 | C27 | H33 | 108.1° | 109.5° |
| C27 | C26 | H15 | 109.4° | 109.4° |
| C27 | C26 | H16 | 109.3° | 109.5° |
| C26 | C27 | H32 | 108.1° | 109.4° |
| C26 | C27 | H33 | 108.1° | 109.4° |
| N33 | C21 | C19 | 115.2° | 109.5° |
| N33 | C21 | C20 | 116.7° | 109.5° |
| N33 | C21 | H10 | 104.0° | 109.5° |
| N30 | C13 | C15 | 114.9° | 119.7° |
| N30 | C13 | O34 | 124.3° | 120.2° |
| C13 | N30 | H35 | 120.1° | 120.5° |
| C15 | C13 | O34 | 120.7° | 120.1° |
| C13 | C15 | H4 | 109.6° | 109.5° |
| C13 | C15 | H5 | 109.6° | 109.4° |
| C19 | C21 | C20 | 111.9° | 109.5° |
| C21 | C19 | C17 | 107.5° | 109.5° |
| C19 | C21 | H10 | 103.5° | 109.5° |
| C21 | C19 | H26 | 110.0° | 109.5° |
| C21 | C19 | H27 | 110.0° | 109.5° |
| C21 | C20 | C18 | 112.2° | 109.4° |
| C21 | C20 | H8 | 108.8° | 109.5° |
| C21 | C20 | H9 | 108.8° | 109.5° |
| C20 | C21 | H10 | 103.4° | 109.5° |
| C19 | C17 | C16 | 109.6° | 109.5° |
| C19 | C17 | H6 | 109.5° | 109.5° |
| C19 | C17 | H7 | 109.5° | 109.4° |
| C17 | C19 | H26 | 110.0° | 109.4° |
| C17 | C19 | H27 | 109.9° | 109.5° |
| C20 | C18 | C16 | 110.9° | 109.5° |
| C18 | C20 | H8 | 108.8° | 109.5° |
| C18 | C20 | H9 | 108.8° | 109.5° |
| C20 | C18 | H24 | 109.1° | 109.4° |
| C20 | C18 | H25 | 109.1° | 109.5° |
| C17 | C16 | C18 | 110.8° | 109.5° |
| C16 | C17 | H6 | 109.4° | 109.5° |
| C16 | C17 | H7 | 109.4° | 109.4° |
| C17 | C16 | H22 | 109.2° | 109.5° |
| C17 | C16 | H23 | 109.1° | 109.4° |
| C18 | C16 | H22 | 109.1° | 109.5° |
| C18 | C16 | H23 | 109.1° | 109.5° |
| C16 | C18 | H24 | 109.1° | 109.4° |
| C16 | C18 | H25 | 109.1° | 109.5° |
| H4 | C15 | H5 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.4° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C24 | H14 | 109.5° | 109.4° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H17 | C28 | H18 | 109.4° | 109.5° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.4° | 109.5° |
| H30 | C25 | H31 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C22 | C7 | H11 | 120.3° | 120.1° |
| C24 | C22 | C7 | H12 | 120.3° | 119.9° |
| C22 | C24 | N31 | H13 | 120.7° | 120.0° |
| C22 | C24 | N31 | H14 | 120.7° | 120.0° |
| C24 | C22 | C7 | C3 | 90.4° | 90.0° |
| C24 | C22 | C7 | C6 | 89.6° | 90.6° |
| C22 | C24 | N31 | C25 | 116.8° | 180.0° |
| C24 | C22 | H11 | H12 | 119.0° | 119.9° |
| C22 | C24 | H13 | H14 | 117.7° | 119.9° |
| C22 | C24 | N31 | H36 | 2.5° | 56.0° |
| C7 | C22 | C24 | N31 | 8.3° | 180.0° |
| C22 | C7 | C3 | C6 | 180.0° | 179.4° |
| C22 | C7 | C3 | C5 | 179.3° | 179.9° |
| C22 | C7 | C6 | C12 | 178.7° | 179.8° |
| C22 | C7 | C6 | H3 | 1.4° | 0.2° |
| C7 | C22 | H11 | H12 | 119.1° | 120.0° |
| C7 | C22 | C24 | H13 | 129.0° | 59.9° |
| C7 | C22 | C24 | H14 | 112.5° | 60.0° |
| C22 | C7 | C3 | H21 | 0.7° | 0.0° |
| C24 | N31 | C25 | H36 | 119.4° | 124.0° |
| C24 | N31 | C25 | C23 | 134.6° | 180.0° |
| N31 | C24 | C22 | H11 | 128.5° | 60.0° |
| N31 | C24 | C22 | H12 | 112.1° | 60.0° |
| N31 | C24 | H13 | H14 | 117.7° | 120.0° |
| C24 | N31 | C25 | H30 | 14.7° | 60.1° |
| C24 | N31 | C25 | H31 | 105.6° | 60.0° |
| C7 | C3 | C5 | H21 | 180.0° | 180.0° |
| C3 | C7 | C6 | C12 | 1.4° | 0.8° |
| C7 | C3 | C5 | C11 | 0.4° | 0.0° |
| C7 | C3 | C5 | H2 | 179.6° | 179.7° |
| C3 | C7 | C6 | H3 | 178.6° | 179.7° |
| C3 | C7 | C22 | H11 | 29.9° | 150.0° |
| C3 | C7 | C22 | H12 | 149.3° | 29.9° |
| C6 | C7 | C3 | C5 | 0.7° | 0.5° |
| C7 | C6 | C12 | H3 | 180.0° | 179.5° |
| C7 | C6 | C12 | C11 | 0.9° | 0.6° |
| C7 | C6 | C12 | CL2 | 178.9° | 180.0° |
| C6 | C7 | C22 | H11 | 150.1° | 29.5° |
| C6 | C7 | C22 | H12 | 30.7° | 149.5° |
| C6 | C7 | C3 | H21 | 179.3° | 179.5° |
| C3 | C5 | C11 | H2 | 180.0° | 179.7° |
| C3 | C5 | C11 | C12 | 0.9° | 0.3° |
| C3 | C5 | C11 | CL1 | 178.5° | 179.7° |
| C6 | C12 | C11 | C5 | 0.3° | 0.0° |
| C6 | C12 | C11 | CL2 | 179.8° | 179.4° |
| C6 | C12 | C11 | CL1 | 179.2° | 180.0° |
| C5 | C11 | C12 | CL1 | 179.4° | 179.9° |
| C5 | C11 | C12 | CL2 | 179.9° | 179.5° |
| C11 | C5 | C3 | H21 | 179.6° | 180.0° |
| N31 | C25 | C23 | H30 | 119.8° | 120.0° |
| N31 | C25 | C23 | H31 | 119.8° | 120.0° |
| N31 | C25 | C23 | C14 | 124.9° | 180.0° |
| C25 | N31 | C24 | H13 | 122.4° | 60.0° |
| C25 | N31 | C24 | H14 | 3.9° | 60.0° |
| N31 | C25 | C23 | H28 | 114.6° | 60.0° |
| N31 | C25 | C23 | H29 | 4.4° | 59.9° |
| N31 | C25 | H30 | H31 | 120.6° | 120.1° |
| O37 | C29 | C8 | C28 | 118.5° | 119.9° |
| O37 | C29 | C8 | H34 | 120.7° | 120.0° |
| O37 | C29 | C28 | H34 | 120.4° | 120.0° |
| O37 | C29 | C8 | C2 | 6.7° | 24.4° |
| O37 | C29 | C8 | C10 | 171.4° | 155.0° |
| O37 | C29 | C28 | N32 | 66.4° | 60.0° |
| O37 | C29 | C28 | H17 | 53.7° | 59.9° |
| O37 | C29 | C28 | H18 | 173.4° | 180.0° |
| C12 | C11 | C5 | H2 | 179.1° | 180.0° |
| C11 | C12 | C6 | H3 | 179.1° | 179.9° |
| CL2 | C12 | C11 | CL1 | 0.7° | 0.6° |
| CL2 | C12 | C6 | H3 | 1.1° | 0.5° |
| O35 | C14 | C23 | C25 | 15.4° | 4.8° |
| O35 | C14 | C23 | N33 | 179.2° | 180.0° |
| O35 | C14 | N33 | C27 | 9.6° | 5.0° |
| O35 | C14 | N33 | C21 | 169.5° | 175.0° |
| O35 | C14 | C23 | H28 | 135.9° | 124.8° |
| O35 | C14 | C23 | H29 | 105.1° | 115.2° |
| CL1 | C11 | C5 | H2 | 1.5° | 0.0° |
| C25 | C23 | C14 | H28 | 120.5° | 120.0° |
| C25 | C23 | C14 | H29 | 120.5° | 120.0° |
| C25 | C23 | C14 | N33 | 165.4° | 175.2° |
| C25 | C23 | H28 | H29 | 118.5° | 120.0° |
| C23 | C25 | H30 | H31 | 120.5° | 120.0° |
| C23 | C25 | N31 | H36 | 106.1° | 56.0° |
| C8 | C29 | C28 | H34 | 120.8° | 120.0° |
| C29 | C8 | C2 | C10 | 178.2° | 179.4° |
| C29 | C8 | C2 | C1 | 177.5° | 179.7° |
| C8 | C29 | C28 | N32 | 174.8° | 180.0° |
| C29 | C8 | C10 | O36 | 0.3° | 0.6° |
| C29 | C8 | C10 | C9 | 177.3° | 180.0° |
| C8 | C29 | C28 | H17 | 65.0° | 60.0° |
| C8 | C29 | C28 | H18 | 54.7° | 60.0° |
| C29 | C8 | C2 | H20 | 2.5° | 0.3° |
| C8 | C29 | O37 | H40 | 180.0° | 59.9° |
| C28 | C29 | C8 | C2 | 111.8° | 95.5° |
| C28 | C29 | C8 | C10 | 70.1° | 85.0° |
| C29 | C28 | N32 | H17 | 120.1° | 120.0° |
| C29 | C28 | N32 | H18 | 120.2° | 120.0° |
| C29 | C28 | N32 | C26 | 179.1° | 180.0° |
| C29 | C28 | H17 | H18 | 119.6° | 120.0° |
| C29 | C28 | N32 | H38 | 59.9° | 56.0° |
| C28 | C29 | O37 | H40 | 59.8° | 60.0° |
| C8 | C2 | C1 | H20 | 180.0° | 180.0° |
| C8 | C2 | C1 | C4 | 0.0° | 0.0° |
| C2 | C8 | C10 | O36 | 177.8° | 180.0° |
| C2 | C8 | C10 | C9 | 0.8° | 0.6° |
| C8 | C2 | C1 | H19 | 180.0° | 180.0° |
| C2 | C8 | C29 | H34 | 127.5° | 144.4° |
| C1 | C2 | C8 | C10 | 0.7° | 0.3° |
| C2 | C1 | C4 | H19 | 180.0° | 180.0° |
| C2 | C1 | C4 | C9 | 0.6° | 0.0° |
| C2 | C1 | C4 | H1 | 179.5° | 179.7° |
| C8 | C10 | O36 | C9 | 177.0° | 179.4° |
| C8 | C10 | C9 | C4 | 0.3° | 0.6° |
| C8 | C10 | O36 | C15 | 140.9° | 146.5° |
| C8 | C10 | C9 | N30 | 179.7° | 179.5° |
| C10 | C8 | C2 | H20 | 179.3° | 179.7° |
| C10 | C8 | C29 | H34 | 50.7° | 35.0° |
| C23 | C14 | N33 | C27 | 169.6° | 175.0° |
| C23 | C14 | N33 | C21 | 9.7° | 5.0° |
| C14 | C23 | H28 | H29 | 118.5° | 120.0° |
| C14 | C23 | C25 | H30 | 5.1° | 60.0° |
| C14 | C23 | C25 | H31 | 115.2° | 60.0° |
| C14 | N33 | C27 | C21 | 160.5° | 180.0° |
| C14 | N33 | C27 | C26 | 106.5° | 90.0° |
| C14 | N33 | C21 | C19 | 78.9° | 114.6° |
| C14 | N33 | C21 | C20 | 146.8° | 125.4° |
| C14 | N33 | C21 | H10 | 33.6° | 5.4° |
| N33 | C14 | C23 | H28 | 44.9° | 55.2° |
| N33 | C14 | C23 | H29 | 74.1° | 64.8° |
| C14 | N33 | C27 | H32 | 132.7° | 30.0° |
| C14 | N33 | C27 | H33 | 14.4° | 150.0° |
| C1 | C4 | C9 | C10 | 0.4° | 0.3° |
| C1 | C4 | C9 | H1 | 180.0° | 179.7° |
| C1 | C4 | C9 | N30 | 179.6° | 179.8° |
| C4 | C1 | C2 | H20 | 180.0° | 180.0° |
| C28 | N32 | C26 | H38 | 119.2° | 123.9° |
| C28 | N32 | C26 | C27 | 171.7° | 180.0° |
| C28 | N32 | C26 | H15 | 68.2° | 60.0° |
| C28 | N32 | C26 | H16 | 51.6° | 60.0° |
| N32 | C28 | H17 | H18 | 119.6° | 120.0° |
| N32 | C28 | C29 | H34 | 54.0° | 60.0° |
| N32 | C26 | C27 | N33 | 96.9° | 180.0° |
| N32 | C26 | C27 | H15 | 120.1° | 120.0° |
| N32 | C26 | C27 | H16 | 120.1° | 120.0° |
| N32 | C26 | H15 | H16 | 119.8° | 120.0° |
| C26 | N32 | C28 | H17 | 60.7° | 60.0° |
| C26 | N32 | C28 | H18 | 59.0° | 60.0° |
| N32 | C26 | C27 | H32 | 142.3° | 60.0° |
| N32 | C26 | C27 | H33 | 24.0° | 60.0° |
| O36 | C10 | C9 | C4 | 177.4° | 180.0° |
| O36 | C10 | C9 | N30 | 2.6° | 0.1° |
| C10 | O36 | C15 | C13 | 61.2° | 46.5° |
| C10 | O36 | C15 | H4 | 178.8° | 73.6° |
| C10 | O36 | C15 | H5 | 58.6° | 166.5° |
| C10 | C9 | C4 | N30 | 180.0° | 179.9° |
| C9 | C10 | O36 | C15 | 42.1° | 32.9° |
| C10 | C9 | N30 | C13 | 16.1° | 15.5° |
| C10 | C9 | C4 | H1 | 179.6° | 180.0° |
| C10 | C9 | N30 | H35 | 163.9° | 164.5° |
| C4 | C9 | N30 | C13 | 164.0° | 164.6° |
| C9 | C4 | C1 | H19 | 179.4° | 180.0° |
| C4 | C9 | N30 | H35 | 16.1° | 15.4° |
| O36 | C15 | C13 | N30 | 44.2° | 31.4° |
| O36 | C15 | C13 | H4 | 119.9° | 120.1° |
| O36 | C15 | C13 | H5 | 119.9° | 119.9° |
| O36 | C15 | C13 | O34 | 138.2° | 148.6° |
| O36 | C15 | H4 | H5 | 120.2° | 119.9° |
| C9 | N30 | C13 | H35 | 180.0° | 180.0° |
| C9 | N30 | C13 | C15 | 5.8° | 1.7° |
| C9 | N30 | C13 | O34 | 176.7° | 178.4° |
| N30 | C9 | C4 | H1 | 0.4° | 0.1° |
| N33 | C27 | C26 | H32 | 120.8° | 120.0° |
| N33 | C27 | C26 | H33 | 120.9° | 120.0° |
| C27 | N33 | C21 | C19 | 80.6° | 65.4° |
| C27 | N33 | C21 | C20 | 53.6° | 54.6° |
| C27 | N33 | C21 | H10 | 166.8° | 174.6° |
| N33 | C27 | C26 | H15 | 143.0° | 60.0° |
| N33 | C27 | C26 | H16 | 23.2° | 60.0° |
| N33 | C27 | H32 | H33 | 117.5° | 120.1° |
| C26 | C27 | N33 | C21 | 93.0° | 90.0° |
| C27 | C26 | H15 | H16 | 119.8° | 120.0° |
| C26 | C27 | H32 | H33 | 117.5° | 119.9° |
| C27 | C26 | N32 | H38 | 52.5° | 56.1° |
| N33 | C21 | C19 | C20 | 136.4° | 120.0° |
| N33 | C21 | C19 | H10 | 112.8° | 120.0° |
| N33 | C21 | C20 | H10 | 113.5° | 120.0° |
| N33 | C21 | C19 | C17 | 164.8° | 180.0° |
| N33 | C21 | C20 | C18 | 170.9° | 180.0° |
| N33 | C21 | C20 | H8 | 68.7° | 60.0° |
| N33 | C21 | C20 | H9 | 50.4° | 60.0° |
| N33 | C21 | C19 | H26 | 45.1° | 60.0° |
| N33 | C21 | C19 | H27 | 75.5° | 60.0° |
| C21 | N33 | C27 | H32 | 27.7° | 150.0° |
| C21 | N33 | C27 | H33 | 146.1° | 30.0° |
| N30 | C13 | C15 | O34 | 177.6° | 179.9° |
| N30 | C13 | C15 | H4 | 164.1° | 88.7° |
| N30 | C13 | C15 | H5 | 75.7° | 151.4° |
| C13 | C15 | H4 | H5 | 120.3° | 119.9° |
| C15 | C13 | N30 | H35 | 174.2° | 178.3° |
| O34 | C13 | C15 | H4 | 18.3° | 91.2° |
| O34 | C13 | C15 | H5 | 101.9° | 28.7° |
| O34 | C13 | N30 | H35 | 3.3° | 1.6° |
| C19 | C21 | C20 | H10 | 110.8° | 120.0° |
| C21 | C19 | C17 | H26 | 119.7° | 120.0° |
| C21 | C19 | C17 | H27 | 119.7° | 120.0° |
| C19 | C21 | C20 | C18 | 53.4° | 60.0° |
| C21 | C19 | C17 | C16 | 62.8° | 60.0° |
| C21 | C19 | C17 | H6 | 57.2° | 180.0° |
| C21 | C19 | C17 | H7 | 177.1° | 60.0° |
| C19 | C21 | C20 | H8 | 67.0° | 60.0° |
| C19 | C21 | C20 | H9 | 173.9° | 180.0° |
| C21 | C19 | H26 | H27 | 120.9° | 120.0° |
| C20 | C21 | C19 | C17 | 58.7° | 60.0° |
| C21 | C20 | C18 | H8 | 120.4° | 120.0° |
| C21 | C20 | C18 | H9 | 120.4° | 120.0° |
| C21 | C20 | C18 | C16 | 50.4° | 60.0° |
| C21 | C20 | H8 | H9 | 118.7° | 120.0° |
| C21 | C20 | C18 | H24 | 170.6° | 180.0° |
| C21 | C20 | C18 | H25 | 69.8° | 60.0° |
| C20 | C21 | C19 | H26 | 178.4° | 60.0° |
| C20 | C21 | C19 | H27 | 61.0° | 180.0° |
| C19 | C17 | C16 | H6 | 120.0° | 120.1° |
| C19 | C17 | C16 | H7 | 120.0° | 120.0° |
| C19 | C17 | C16 | C18 | 62.3° | 59.9° |
| C19 | C17 | H6 | H7 | 120.0° | 120.0° |
| C17 | C19 | C21 | H10 | 52.0° | 60.0° |
| C19 | C17 | C16 | H22 | 177.6° | 180.0° |
| C19 | C17 | C16 | H23 | 57.9° | 60.0° |
| C17 | C19 | H26 | H27 | 120.9° | 120.0° |
| C20 | C18 | C16 | C17 | 54.9° | 60.0° |
| C20 | C18 | C16 | H24 | 120.2° | 120.0° |
| C20 | C18 | C16 | H25 | 120.2° | 120.1° |
| C18 | C20 | H8 | H9 | 118.7° | 120.0° |
| C18 | C20 | C21 | H10 | 57.3° | 60.0° |
| C20 | C18 | C16 | H22 | 175.1° | 180.0° |
| C20 | C18 | C16 | H23 | 65.3° | 60.0° |
| C20 | C18 | H24 | H25 | 119.4° | 120.0° |
| C17 | C16 | C18 | H22 | 120.2° | 120.1° |
| C17 | C16 | C18 | H23 | 120.2° | 119.9° |
| C16 | C17 | H6 | H7 | 119.9° | 120.0° |
| C17 | C16 | H22 | H23 | 119.4° | 120.0° |
| C17 | C16 | C18 | H24 | 175.1° | 179.9° |
| C17 | C16 | C18 | H25 | 65.3° | 60.1° |
| C16 | C17 | C19 | H26 | 177.4° | 60.0° |
| C16 | C17 | C19 | H27 | 56.9° | 180.0° |
| C18 | C16 | C17 | H6 | 57.8° | 180.0° |
| C18 | C16 | C17 | H7 | 177.7° | 60.0° |
| C16 | C18 | C20 | H8 | 70.0° | 60.0° |
| C16 | C18 | C20 | H9 | 170.8° | 180.0° |
| C18 | C16 | H22 | H23 | 119.4° | 120.0° |
| C16 | C18 | H24 | H25 | 119.3° | 120.0° |
| H1 | C4 | C1 | H19 | 0.5° | 0.3° |
| H2 | C5 | C3 | H21 | 0.4° | 0.3° |
| H6 | C17 | C16 | H22 | 62.4° | 60.0° |
| H6 | C17 | C16 | H23 | 177.9° | 60.0° |
| H6 | C17 | C19 | H26 | 62.6° | 60.0° |
| H6 | C17 | C19 | H27 | 176.9° | 60.0° |
| H7 | C17 | C16 | H22 | 57.5° | 60.0° |
| H7 | C17 | C16 | H23 | 62.1° | 180.0° |
| H7 | C17 | C19 | H26 | 57.4° | NaN° |
| H7 | C17 | C19 | H27 | 63.2° | 60.0° |
| H8 | C20 | C21 | H10 | 177.7° | 180.0° |
| H8 | C20 | C18 | H24 | 50.2° | 60.0° |
| H8 | C20 | C18 | H25 | 169.8° | 180.0° |
| H9 | C20 | C21 | H10 | 63.1° | 60.0° |
| H9 | C20 | C18 | H24 | 69.0° | 60.0° |
| H9 | C20 | C18 | H25 | 50.6° | 60.0° |
| H10 | C21 | C19 | H26 | 67.7° | 180.0° |
| H10 | C21 | C19 | H27 | 171.7° | 60.0° |
| H11 | C22 | C24 | H13 | 110.7° | 180.0° |
| H11 | C22 | C24 | H14 | 7.8° | 60.0° |
| H12 | C22 | C24 | H13 | 8.7° | 60.0° |
| H12 | C22 | C24 | H14 | 127.2° | 180.0° |
| H13 | C24 | N31 | H36 | 118.2° | 176.1° |
| H14 | C24 | N31 | H36 | 123.2° | 63.9° |
| H15 | C26 | C27 | H32 | 22.2° | 60.0° |
| H15 | C26 | C27 | H33 | 96.1° | 180.0° |
| H15 | C26 | N32 | H38 | 172.6° | 63.9° |
| H16 | C26 | C27 | H32 | 97.6° | 180.0° |
| H16 | C26 | C27 | H33 | 144.0° | 60.0° |
| H16 | C26 | N32 | H38 | 67.6° | 176.1° |
| H17 | C28 | C29 | H34 | 174.2° | 180.0° |
| H17 | C28 | N32 | H38 | 179.9° | 176.0° |
| H18 | C28 | C29 | H34 | 66.1° | 60.0° |
| H18 | C28 | N32 | H38 | 60.2° | 64.0° |
| H19 | C1 | C2 | H20 | 0.0° | 0.0° |
| H22 | C16 | C18 | H24 | 64.7° | 60.0° |
| H22 | C16 | C18 | H25 | 54.9° | 60.0° |
| H23 | C16 | C18 | H24 | 54.9° | 60.0° |
| H23 | C16 | C18 | H25 | 174.5° | 180.0° |
| H28 | C23 | C25 | H30 | 125.6° | 180.0° |
| H28 | C23 | C25 | H31 | 5.2° | 60.0° |
| H29 | C23 | C25 | H30 | 115.4° | 60.0° |
| H29 | C23 | C25 | H31 | 124.2° | 179.9° |
| H30 | C25 | N31 | H36 | 134.1° | 63.9° |
| H31 | C25 | N31 | H36 | 13.7° | 176.0° |
| H34 | C29 | O37 | H40 | 60.0° | 179.9° |
