IQC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | N29 | sing | 1.40Å | 1.34Å | Aromatic |
| N30 | C26 | sing | 1.37Å | 1.37Å | Aromatic |
| N29 | C28 | doub | 1.30Å | 1.34Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.41Å | 1.40Å | Aromatic |
| CL1 | C15 | sing | 1.74Å | 1.70Å | |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C17 | sing | 1.48Å | 1.47Å | |
| C23 | C31 | sing | 1.51Å | 1.50Å | |
| C15 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.37Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C40 | C41 | sing | 1.53Å | 1.45Å | |
| C40 | C39 | sing | 1.53Å | 1.50Å | |
| C41 | N12 | sing | 1.47Å | 1.46Å | |
| C18 | F21 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C19 | sing | 1.42Å | 1.38Å | Aromatic |
| C13 | C11 | sing | 1.42Å | 1.39Å | Aromatic |
| C19 | N20 | sing | 1.34Å | 1.33Å | Aromatic |
| C42 | C39 | sing | 1.53Å | 1.52Å | |
| C42 | N32 | sing | 1.48Å | 1.45Å | |
| C43 | C39 | sing | 1.53Å | 1.54Å | |
| C43 | N32 | sing | 1.48Å | 1.45Å | |
| C39 | C38 | sing | 1.53Å | 1.55Å | |
| N32 | C33 | sing | 1.35Å | 1.38Å | |
| N12 | C11 | sing | 1.38Å | 1.39Å | |
| N12 | C37 | sing | 1.47Å | 1.50Å | |
| C11 | N10 | doub | 1.32Å | 1.31Å | Aromatic |
| C35 | C33 | sing | 1.51Å | 1.52Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | O34 | doub | 1.21Å | 1.22Å | |
| N20 | C9 | doub | 1.32Å | 1.32Å | Aromatic |
| C37 | C38 | sing | 1.53Å | 1.60Å | |
| N10 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | N8 | sing | 1.38Å | 1.38Å | |
| N8 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | N5 | sing | 1.47Å | 1.50Å | |
| C6 | N5 | sing | 1.47Å | 1.48Å | |
| N5 | C7 | sing | 1.47Å | 1.48Å | |
| C24 | H1 | sing | 1.08Å | 1.08Å | |
| C25 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C36 | H5 | sing | 1.09Å | 1.10Å | |
| C36 | H6 | sing | 1.09Å | 1.10Å | |
| C36 | H7 | sing | 1.09Å | 1.10Å | |
| C35 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C38 | H14 | sing | 1.09Å | 1.10Å | |
| C38 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C40 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| C37 | H23 | sing | 1.09Å | 1.10Å | |
| C41 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C42 | H26 | sing | 1.09Å | 1.10Å | |
| C42 | H27 | sing | 1.09Å | 1.10Å | |
| C43 | H28 | sing | 1.09Å | 1.10Å | |
| C43 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| N8 | H39 | sing | 0.97Å | 1.00Å | |
| N30 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N29 | N30 | C26 | 113.0° | 108.1° |
| N30 | N29 | C28 | 104.2° | 109.7° |
| N29 | N30 | H37 | 123.5° | 126.0° |
| N30 | C26 | C25 | 131.4° | 133.7° |
| N30 | C26 | C27 | 106.6° | 106.6° |
| C26 | N30 | H37 | 123.5° | 126.0° |
| N29 | C28 | C27 | 112.9° | 108.7° |
| N29 | C28 | H4 | 123.6° | 125.7° |
| C25 | C26 | C27 | 122.0° | 119.8° |
| C26 | C25 | C24 | 116.0° | 120.1° |
| C26 | C25 | H2 | 122.0° | 120.0° |
| C26 | C27 | C28 | 103.2° | 107.0° |
| C26 | C27 | C22 | 121.3° | 119.5° |
| C28 | C27 | C22 | 135.4° | 133.5° |
| C27 | C28 | H4 | 123.5° | 125.7° |
| C25 | C24 | C23 | 123.2° | 120.7° |
| C25 | C24 | H1 | 118.4° | 119.6° |
| C24 | C25 | H2 | 122.0° | 119.9° |
| C27 | C22 | C23 | 116.9° | 119.4° |
| C27 | C22 | C17 | 117.7° | 120.3° |
| CL1 | C15 | C17 | 119.3° | 119.6° |
| CL1 | C15 | C14 | 118.8° | 119.6° |
| C24 | C23 | C22 | 120.5° | 120.4° |
| C24 | C23 | C31 | 120.1° | 119.8° |
| C23 | C24 | H1 | 118.4° | 119.6° |
| C23 | C22 | C17 | 125.3° | 120.3° |
| C22 | C23 | C31 | 119.4° | 119.8° |
| C22 | C17 | C15 | 123.0° | 119.7° |
| C22 | C17 | C18 | 120.5° | 119.7° |
| C23 | C31 | H31 | 109.5° | 109.5° |
| C23 | C31 | H32 | 109.5° | 109.5° |
| C23 | C31 | H33 | 109.5° | 109.5° |
| C17 | C15 | C14 | 121.9° | 120.7° |
| C15 | C17 | C18 | 116.5° | 120.6° |
| C15 | C14 | C13 | 120.7° | 119.9° |
| C15 | C14 | H3 | 119.6° | 120.0° |
| C17 | C18 | F21 | 119.6° | 120.3° |
| C17 | C18 | C19 | 122.7° | 119.3° |
| C14 | C13 | C19 | 117.3° | 120.0° |
| C14 | C13 | C11 | 123.6° | 121.7° |
| C13 | C14 | H3 | 119.6° | 120.1° |
| C41 | C40 | C39 | 107.2° | 109.0° |
| C40 | C41 | N12 | 125.3° | 109.4° |
| C41 | C40 | H16 | 110.0° | 109.5° |
| C41 | C40 | H17 | 110.1° | 109.6° |
| C40 | C41 | H24 | 105.4° | 109.5° |
| C40 | C41 | H25 | 105.4° | 109.5° |
| C40 | C39 | C42 | 105.3° | 113.7° |
| C40 | C39 | C43 | 117.3° | 113.6° |
| C40 | C39 | C38 | 114.4° | 112.8° |
| C39 | C40 | H16 | 110.0° | 109.6° |
| C39 | C40 | H17 | 110.0° | 109.6° |
| C41 | N12 | C11 | 116.8° | 111.0° |
| C41 | N12 | C37 | 111.8° | 111.5° |
| N12 | C41 | H24 | 105.4° | 109.5° |
| N12 | C41 | H25 | 105.4° | 109.5° |
| F21 | C18 | C19 | 117.7° | 120.3° |
| C18 | C19 | C13 | 120.4° | 119.5° |
| C18 | C19 | N20 | 117.5° | 121.8° |
| C19 | C13 | C11 | 118.2° | 118.2° |
| C13 | C19 | N20 | 122.1° | 118.8° |
| C13 | C11 | N12 | 129.2° | 120.8° |
| C13 | C11 | N10 | 119.2° | 118.4° |
| C19 | N20 | C9 | 115.2° | 120.4° |
| C39 | C42 | N32 | 86.4° | 86.0° |
| C42 | C39 | C43 | 90.1° | 86.8° |
| C42 | C39 | C38 | 115.6° | 113.7° |
| C39 | C42 | H26 | 114.9° | 113.8° |
| C39 | C42 | H27 | 114.9° | 113.8° |
| C42 | N32 | C43 | 96.2° | 91.1° |
| C42 | N32 | C33 | 130.2° | 134.5° |
| N32 | C42 | H26 | 114.9° | 113.8° |
| N32 | C42 | H27 | 114.9° | 113.8° |
| C39 | C43 | N32 | 85.8° | 85.9° |
| C43 | C39 | C38 | 111.8° | 113.7° |
| C39 | C43 | H28 | 115.0° | 113.8° |
| C39 | C43 | H29 | 115.0° | 113.8° |
| C43 | N32 | C33 | 133.5° | 134.4° |
| N32 | C43 | H28 | 115.0° | 113.8° |
| N32 | C43 | H29 | 115.0° | 113.8° |
| C39 | C38 | C37 | 108.1° | 109.1° |
| C39 | C38 | H14 | 109.8° | 109.5° |
| C39 | C38 | H15 | 109.8° | 109.6° |
| N32 | C33 | C35 | 114.4° | 120.1° |
| N32 | C33 | O34 | 126.7° | 120.0° |
| C11 | N12 | C37 | 129.7° | 111.0° |
| N12 | C11 | N10 | 111.5° | 120.8° |
| N12 | C37 | C38 | 94.9° | 109.4° |
| N12 | C37 | H22 | 113.0° | 109.5° |
| N12 | C37 | H23 | 113.0° | 109.5° |
| C11 | N10 | C9 | 118.6° | 121.5° |
| C33 | C35 | C36 | 105.4° | 109.5° |
| C35 | C33 | O34 | 118.9° | 120.0° |
| C33 | C35 | H8 | 110.5° | 109.5° |
| C33 | C35 | H9 | 110.5° | 109.5° |
| C35 | C36 | H5 | 109.5° | 109.4° |
| C35 | C36 | H6 | 109.5° | 109.5° |
| C35 | C36 | H7 | 109.5° | 109.5° |
| C36 | C35 | H8 | 110.5° | 109.5° |
| C36 | C35 | H9 | 110.5° | 109.5° |
| N20 | C9 | N10 | 125.8° | 122.7° |
| N20 | C9 | N8 | 107.9° | 118.6° |
| C37 | C38 | H14 | 109.8° | 109.5° |
| C37 | C38 | H15 | 109.8° | 109.5° |
| C38 | C37 | H22 | 113.0° | 109.5° |
| C38 | C37 | H23 | 113.0° | 109.5° |
| N10 | C9 | N8 | 126.3° | 118.7° |
| C9 | N8 | C2 | 123.2° | 120.0° |
| C9 | N8 | H39 | 105.9° | 120.0° |
| N8 | C2 | C3 | 117.6° | 109.5° |
| N8 | C2 | C1 | 119.1° | 109.5° |
| N8 | C2 | H30 | 97.5° | 109.6° |
| C2 | N8 | H39 | 105.9° | 119.9° |
| C3 | C2 | C1 | 118.4° | 109.2° |
| C2 | C3 | C4 | 112.5° | 109.2° |
| C2 | C3 | H12 | 108.7° | 109.5° |
| C2 | C3 | H13 | 108.7° | 109.6° |
| C3 | C2 | H30 | 97.2° | 109.6° |
| C2 | C1 | C6 | 112.1° | 109.3° |
| C2 | C1 | H10 | 108.8° | 109.5° |
| C2 | C1 | H11 | 108.8° | 109.6° |
| C1 | C2 | H30 | 97.5° | 109.5° |
| C3 | C4 | N5 | 113.2° | 109.5° |
| C4 | C3 | H12 | 108.7° | 109.5° |
| C4 | C3 | H13 | 108.7° | 109.5° |
| C3 | C4 | H20 | 108.6° | 109.5° |
| C3 | C4 | H21 | 108.5° | 109.5° |
| C1 | C6 | N5 | 114.1° | 109.6° |
| C6 | C1 | H10 | 108.8° | 109.5° |
| C6 | C1 | H11 | 108.8° | 109.5° |
| C1 | C6 | H18 | 108.3° | 109.4° |
| C1 | C6 | H19 | 108.3° | 109.5° |
| C4 | N5 | C6 | 116.7° | 111.2° |
| C4 | N5 | C7 | 119.5° | 111.0° |
| N5 | C4 | H20 | 108.5° | 109.5° |
| N5 | C4 | H21 | 108.6° | 109.5° |
| C6 | N5 | C7 | 112.1° | 111.0° |
| N5 | C6 | H18 | 108.3° | 109.4° |
| N5 | C6 | H19 | 108.3° | 109.5° |
| N5 | C7 | H34 | 109.5° | 109.5° |
| N5 | C7 | H35 | 109.5° | 109.5° |
| N5 | C7 | H36 | 109.5° | 109.4° |
| H5 | C36 | H6 | 109.5° | 109.5° |
| H5 | C36 | H7 | 109.5° | 109.5° |
| H6 | C36 | H7 | 109.4° | 109.5° |
| H8 | C35 | H9 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.4° | 109.6° |
| H14 | C38 | H15 | 109.4° | 109.6° |
| H16 | C40 | H17 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.4° |
| H20 | C4 | H21 | 109.5° | 109.4° |
| H22 | C37 | H23 | 109.4° | 109.5° |
| H24 | C41 | H25 | 109.4° | 109.5° |
| H26 | C42 | H27 | 109.5° | 113.1° |
| H28 | C43 | H29 | 109.5° | 113.1° |
| H31 | C31 | H32 | 109.4° | 109.4° |
| H31 | C31 | H33 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.5° |
| H34 | C7 | H35 | 109.5° | 109.6° |
| H34 | C7 | H36 | 109.4° | 109.5° |
| H35 | C7 | H36 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N29 | N30 | C26 | H37 | 180.0° | 180.0° |
| N29 | N30 | C26 | C25 | 179.7° | 180.0° |
| N29 | N30 | C26 | C27 | 0.1° | 0.0° |
| N30 | N29 | C28 | C27 | 0.0° | 0.2° |
| N30 | N29 | C28 | H4 | 180.0° | 179.6° |
| C26 | N30 | N29 | C28 | 0.1° | 0.1° |
| N30 | C26 | C25 | C27 | 179.5° | 179.9° |
| N30 | C26 | C27 | C28 | 0.0° | 0.2° |
| N30 | C26 | C25 | C24 | 179.1° | 180.0° |
| N30 | C26 | C27 | C22 | 179.9° | 179.7° |
| N30 | C26 | C25 | H2 | 0.9° | 0.1° |
| N29 | C28 | C27 | C26 | 0.0° | 0.3° |
| N29 | C28 | C27 | H4 | 180.0° | 179.8° |
| N29 | C28 | C27 | C22 | 179.9° | 179.7° |
| C28 | N29 | N30 | H37 | 179.9° | 179.9° |
| C25 | C26 | C27 | C28 | 179.7° | 179.9° |
| C26 | C25 | C24 | H2 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 0.2° | 0.3° |
| C26 | C25 | C24 | C23 | 0.9° | 0.0° |
| C26 | C25 | C24 | H1 | 179.1° | 179.8° |
| C25 | C26 | N30 | H37 | 0.3° | 0.0° |
| C26 | C27 | C28 | C22 | 179.9° | 179.4° |
| C27 | C26 | C25 | C24 | 0.4° | 0.1° |
| C26 | C27 | C22 | C23 | 0.3° | 0.6° |
| C26 | C27 | C22 | C17 | 178.6° | 179.5° |
| C27 | C26 | C25 | H2 | 179.6° | 180.0° |
| C26 | C27 | C28 | H4 | 180.0° | 179.6° |
| C27 | C26 | N30 | H37 | 179.9° | 180.0° |
| C28 | C27 | C22 | C23 | 179.5° | 179.9° |
| C28 | C27 | C22 | C17 | 1.6° | 0.1° |
| C25 | C24 | C23 | H1 | 180.0° | 179.8° |
| C25 | C24 | C23 | C22 | 0.8° | 0.2° |
| C25 | C24 | C23 | C31 | 178.9° | 179.7° |
| C27 | C22 | C23 | C24 | 0.2° | 0.5° |
| C27 | C22 | C23 | C17 | 178.8° | 180.0° |
| C27 | C22 | C23 | C31 | 179.6° | 179.4° |
| C27 | C22 | C17 | C15 | 86.2° | 90.0° |
| C27 | C22 | C17 | C18 | 91.9° | 90.0° |
| C22 | C27 | C28 | H4 | 0.1° | 0.1° |
| CL1 | C15 | C17 | C22 | 3.6° | 0.0° |
| CL1 | C15 | C17 | C14 | 178.9° | 179.5° |
| CL1 | C15 | C17 | C18 | 178.2° | 180.0° |
| CL1 | C15 | C14 | C13 | 176.8° | 179.9° |
| CL1 | C15 | C14 | H3 | 3.2° | 0.3° |
| C24 | C23 | C22 | C31 | 179.8° | 179.9° |
| C24 | C23 | C22 | C17 | 179.0° | 179.5° |
| C23 | C24 | C25 | H2 | 179.1° | 179.9° |
| C24 | C23 | C31 | H31 | 89.9° | 90.1° |
| C24 | C23 | C31 | H32 | 150.1° | 150.0° |
| C24 | C23 | C31 | H33 | 30.1° | 29.9° |
| C23 | C22 | C17 | C15 | 92.6° | 90.0° |
| C23 | C22 | C17 | C18 | 89.3° | 90.0° |
| C22 | C23 | C24 | H1 | 179.2° | 180.0° |
| C22 | C23 | C31 | H31 | 89.9° | 90.0° |
| C22 | C23 | C31 | H32 | 30.1° | 30.0° |
| C22 | C23 | C31 | H33 | 150.1° | 150.0° |
| C17 | C22 | C23 | C31 | 0.8° | 0.6° |
| C22 | C17 | C15 | C18 | 178.2° | 180.0° |
| C22 | C17 | C15 | C14 | 177.4° | 179.5° |
| C22 | C17 | C18 | F21 | 4.8° | 0.0° |
| C22 | C17 | C18 | C19 | 176.1° | 179.8° |
| C31 | C23 | C24 | H1 | 1.1° | 0.1° |
| C23 | C31 | H31 | H32 | 120.0° | 120.0° |
| C23 | C31 | H31 | H33 | 120.0° | 120.0° |
| C23 | C31 | H32 | H33 | 120.0° | 120.0° |
| C17 | C15 | C14 | C13 | 4.2° | 0.6° |
| C15 | C17 | C18 | F21 | 176.9° | 180.0° |
| C15 | C17 | C18 | C19 | 2.2° | 0.2° |
| C17 | C15 | C14 | H3 | 175.8° | 179.8° |
| C14 | C15 | C17 | C18 | 0.8° | 0.5° |
| C15 | C14 | C13 | H3 | 180.0° | 179.6° |
| C15 | C14 | C13 | C19 | 7.7° | 0.4° |
| C15 | C14 | C13 | C11 | 176.9° | 179.7° |
| C17 | C18 | F21 | C19 | 179.1° | 179.8° |
| C17 | C18 | C19 | C13 | 1.5° | 0.0° |
| C17 | C18 | C19 | N20 | 179.6° | 180.0° |
| C14 | C13 | C19 | C18 | 6.3° | 0.1° |
| C14 | C13 | C19 | C11 | 169.8° | 179.9° |
| C14 | C13 | C19 | N20 | 175.6° | 179.9° |
| C14 | C13 | C11 | N12 | 11.3° | 0.1° |
| C14 | C13 | C11 | N10 | 166.1° | 179.9° |
| C41 | C40 | C39 | H16 | 119.6° | 119.9° |
| C41 | C40 | C39 | H17 | 119.7° | 119.9° |
| C40 | C41 | N12 | H24 | 122.1° | 119.9° |
| C40 | C41 | N12 | H25 | 122.2° | 120.0° |
| C41 | C40 | C39 | C42 | 163.3° | 174.9° |
| C41 | C40 | C39 | C43 | 98.5° | 77.7° |
| C41 | C40 | C39 | C38 | 35.3° | 53.6° |
| C40 | C41 | N12 | C11 | 141.9° | 172.2° |
| C40 | C41 | N12 | C37 | 51.4° | 63.6° |
| C41 | C40 | H16 | H17 | 121.1° | 120.2° |
| C40 | C41 | H24 | H25 | 112.9° | 120.1° |
| C39 | C40 | C41 | N12 | 29.8° | 56.8° |
| C40 | C39 | C42 | C43 | 118.4° | 114.5° |
| C40 | C39 | C42 | C38 | 127.3° | 131.0° |
| C40 | C39 | C42 | N32 | 127.5° | 137.8° |
| C40 | C39 | C43 | C38 | 134.9° | 130.9° |
| C40 | C39 | C43 | N32 | 116.5° | 137.9° |
| C40 | C39 | C38 | C37 | 63.7° | 53.6° |
| C40 | C39 | C38 | H14 | 56.1° | 173.5° |
| C40 | C39 | C38 | H15 | 176.5° | 66.3° |
| C39 | C40 | H16 | H17 | 121.1° | 120.2° |
| C39 | C40 | C41 | H24 | 92.4° | 63.2° |
| C39 | C40 | C41 | H25 | 152.0° | 176.8° |
| C40 | C39 | C42 | H26 | 116.7° | 107.9° |
| C40 | C39 | C42 | H27 | 11.7° | 23.6° |
| C40 | C39 | C43 | H28 | 0.8° | 23.6° |
| C40 | C39 | C43 | H29 | 127.8° | 107.9° |
| C41 | N12 | C11 | C13 | 24.7° | 117.8° |
| C41 | N12 | C11 | C37 | 163.9° | 124.5° |
| C41 | N12 | C11 | N10 | 157.7° | 62.2° |
| C41 | N12 | C37 | C38 | 65.3° | 63.6° |
| N12 | C41 | C40 | H16 | 89.8° | 63.1° |
| N12 | C41 | C40 | H17 | 149.5° | 176.7° |
| C41 | N12 | C37 | H22 | 52.2° | 176.5° |
| C41 | N12 | C37 | H23 | 177.2° | 56.4° |
| N12 | C41 | H24 | H25 | 112.9° | 120.1° |
| F21 | C18 | C19 | C13 | 179.4° | 179.8° |
| F21 | C18 | C19 | N20 | 1.2° | 0.2° |
| C18 | C19 | C13 | N20 | 178.1° | 180.0° |
| C18 | C19 | C13 | C11 | 176.1° | 180.0° |
| C18 | C19 | N20 | C9 | 173.4° | 180.0° |
| C19 | C13 | C11 | N12 | 179.6° | 180.0° |
| C19 | C13 | C11 | N10 | 2.9° | 0.0° |
| C13 | C19 | N20 | C9 | 8.5° | 0.0° |
| C19 | C13 | C14 | H3 | 172.3° | 180.0° |
| C11 | C13 | C19 | N20 | 5.8° | 0.0° |
| C13 | C11 | N12 | N10 | 177.6° | 180.0° |
| C13 | C11 | N12 | C37 | 171.4° | 117.7° |
| C13 | C11 | N10 | C9 | 8.2° | 0.0° |
| C11 | C13 | C14 | H3 | 3.1° | 0.1° |
| C19 | N20 | C9 | N10 | 3.0° | 0.0° |
| C19 | N20 | C9 | N8 | 177.4° | 180.0° |
| C39 | C42 | N32 | H26 | 115.8° | 114.3° |
| C39 | C42 | N32 | H27 | 115.8° | 114.3° |
| C42 | C39 | C43 | C38 | 117.8° | 114.6° |
| C39 | C42 | N32 | C43 | 9.7° | 24.3° |
| C39 | C42 | N32 | C33 | 166.9° | 155.7° |
| C42 | C39 | C38 | C37 | 173.7° | 175.0° |
| C42 | C39 | C38 | H14 | 66.5° | 55.1° |
| C42 | C39 | C38 | H15 | 53.9° | 65.1° |
| C42 | C39 | C40 | H16 | 43.7° | 65.2° |
| C42 | C39 | C40 | H17 | 77.0° | 55.0° |
| C39 | C42 | H26 | H27 | 131.0° | 131.9° |
| C42 | C39 | C43 | H28 | 106.5° | 90.9° |
| C42 | C39 | C43 | H29 | 124.8° | 137.6° |
| C42 | N32 | C43 | C33 | 176.5° | 180.0° |
| N32 | C42 | C39 | C38 | 105.2° | 91.2° |
| C42 | N32 | C33 | C35 | 175.1° | 180.0° |
| C42 | N32 | C33 | O34 | 3.7° | 0.0° |
| N32 | C42 | H26 | H27 | 131.0° | 131.8° |
| C42 | N32 | C43 | H28 | 106.1° | 90.0° |
| C42 | N32 | C43 | H29 | 125.3° | 138.5° |
| C39 | C43 | N32 | H28 | 115.7° | 114.3° |
| C39 | C43 | N32 | H29 | 115.7° | 114.2° |
| C39 | C43 | N32 | C33 | 166.9° | 155.7° |
| C43 | C39 | C38 | C37 | 72.5° | 77.7° |
| C43 | C39 | C38 | H14 | 167.7° | 42.2° |
| C43 | C39 | C38 | H15 | 47.3° | 162.4° |
| C43 | C39 | C40 | H16 | 141.9° | 162.4° |
| C43 | C39 | C40 | H17 | 21.2° | 42.2° |
| C43 | C39 | C42 | H26 | 124.9° | 137.6° |
| C43 | C39 | C42 | H27 | 106.7° | 90.9° |
| C39 | C43 | H28 | H29 | 131.4° | 131.8° |
| N32 | C43 | C39 | C38 | 108.6° | 91.2° |
| C43 | N32 | C33 | C35 | 9.5° | 0.0° |
| C43 | N32 | C33 | O34 | 171.8° | 180.0° |
| C43 | N32 | C42 | H26 | 125.6° | 138.6° |
| C43 | N32 | C42 | H27 | 106.1° | 90.0° |
| N32 | C43 | H28 | H29 | 131.3° | 131.9° |
| C39 | C38 | C37 | N12 | 73.3° | 56.7° |
| C39 | C38 | C37 | H14 | 119.8° | 119.9° |
| C39 | C38 | C37 | H15 | 119.8° | 119.9° |
| C39 | C38 | H14 | H15 | 120.6° | 120.2° |
| C38 | C39 | C40 | H16 | 84.3° | 66.3° |
| C38 | C39 | C40 | H17 | 154.9° | 173.5° |
| C39 | C38 | C37 | H22 | 44.3° | 176.7° |
| C39 | C38 | C37 | H23 | 169.2° | 63.3° |
| C38 | C39 | C42 | H26 | 10.6° | 23.1° |
| C38 | C39 | C42 | H27 | 139.0° | 154.6° |
| C38 | C39 | C43 | H28 | 135.7° | 154.5° |
| C38 | C39 | C43 | H29 | 7.0° | 23.1° |
| N32 | C33 | C35 | O34 | 178.8° | 180.0° |
| N32 | C33 | C35 | C36 | 121.7° | 180.0° |
| N32 | C33 | C35 | H8 | 118.9° | 60.0° |
| N32 | C33 | C35 | H9 | 2.4° | 60.0° |
| C33 | N32 | C42 | H26 | 51.1° | 41.5° |
| C33 | N32 | C42 | H27 | 77.2° | 90.0° |
| C33 | N32 | C43 | H28 | 77.4° | 90.0° |
| C33 | N32 | C43 | H29 | 51.2° | 41.5° |
| C11 | N12 | C37 | C38 | 130.2° | 172.2° |
| N12 | C11 | N10 | C9 | 173.9° | 180.0° |
| C11 | N12 | C37 | H22 | 112.3° | 52.2° |
| C11 | N12 | C37 | H23 | 12.7° | 67.8° |
| C11 | N12 | C41 | H24 | 96.0° | 67.9° |
| C11 | N12 | C41 | H25 | 19.7° | 52.2° |
| C37 | N12 | C11 | N10 | 6.2° | 62.3° |
| N12 | C37 | C38 | H22 | 117.5° | 120.0° |
| N12 | C37 | C38 | H23 | 117.5° | 120.0° |
| N12 | C37 | C38 | H14 | 46.5° | 176.6° |
| N12 | C37 | C38 | H15 | 166.9° | 63.2° |
| N12 | C37 | H22 | H23 | 126.8° | 120.0° |
| C37 | N12 | C41 | H24 | 70.7° | 56.4° |
| C37 | N12 | C41 | H25 | 173.6° | 176.5° |
| C11 | N10 | C9 | N20 | 5.5° | 0.0° |
| C11 | N10 | C9 | N8 | 174.0° | 180.0° |
| C33 | C35 | C36 | H8 | 119.4° | 120.0° |
| C33 | C35 | C36 | H9 | 119.3° | 120.0° |
| C33 | C35 | C36 | H5 | 180.0° | 59.9° |
| C33 | C35 | C36 | H6 | 60.0° | 60.0° |
| C33 | C35 | C36 | H7 | 60.0° | 180.0° |
| C33 | C35 | H8 | H9 | 121.9° | 120.0° |
| C36 | C35 | C33 | O34 | 59.4° | 0.0° |
| C35 | C36 | H5 | H6 | 120.0° | 119.9° |
| C35 | C36 | H5 | H7 | 120.0° | 120.0° |
| C35 | C36 | H6 | H7 | 120.0° | 120.0° |
| C36 | C35 | H8 | H9 | 121.9° | 120.0° |
| O34 | C33 | C35 | H8 | 59.9° | 120.0° |
| O34 | C33 | C35 | H9 | 178.8° | 120.0° |
| N20 | C9 | N10 | N8 | 179.5° | 180.0° |
| N20 | C9 | N8 | C2 | 164.0° | 0.0° |
| N20 | C9 | N8 | H39 | 74.1° | 180.0° |
| C37 | C38 | H14 | H15 | 120.6° | 120.2° |
| C38 | C37 | H22 | H23 | 126.9° | 120.0° |
| N10 | C9 | N8 | C2 | 16.4° | 180.0° |
| N10 | C9 | N8 | H39 | 105.5° | 0.0° |
| C9 | N8 | C2 | H39 | 121.9° | 180.0° |
| C9 | N8 | C2 | C3 | 32.1° | 155.0° |
| C9 | N8 | C2 | C1 | 173.1° | 85.3° |
| C9 | N8 | C2 | H30 | 70.2° | 34.8° |
| N8 | C2 | C3 | C1 | 155.0° | 119.9° |
| N8 | C2 | C3 | H30 | 102.5° | 120.2° |
| N8 | C2 | C1 | H30 | 103.0° | 120.2° |
| N8 | C2 | C3 | C4 | 110.3° | 177.6° |
| N8 | C2 | C1 | C6 | 116.8° | 177.5° |
| N8 | C2 | C1 | H10 | 122.8° | 57.6° |
| N8 | C2 | C1 | H11 | 3.6° | 62.5° |
| N8 | C2 | C3 | H12 | 10.2° | 62.6° |
| N8 | C2 | C3 | H13 | 129.2° | 57.6° |
| C3 | C2 | C1 | H30 | 102.5° | 119.9° |
| C2 | C3 | C4 | H12 | 120.4° | 119.9° |
| C2 | C3 | C4 | H13 | 120.5° | 120.0° |
| C3 | C2 | C1 | C6 | 37.8° | 57.7° |
| C2 | C3 | C4 | N5 | 2.5° | 59.2° |
| C3 | C2 | C1 | H10 | 82.6° | 62.2° |
| C3 | C2 | C1 | H11 | 158.2° | 177.6° |
| C2 | C3 | H12 | H13 | 118.6° | 120.2° |
| C2 | C3 | C4 | H20 | 118.0° | 179.2° |
| C2 | C3 | C4 | H21 | 123.1° | 60.8° |
| C3 | C2 | N8 | H39 | 154.0° | 25.0° |
| C1 | C2 | C3 | C4 | 44.7° | 57.7° |
| C2 | C1 | C6 | H10 | 120.4° | 119.9° |
| C2 | C1 | C6 | H11 | 120.4° | 120.0° |
| C2 | C1 | C6 | N5 | 9.8° | 59.1° |
| C2 | C1 | H10 | H11 | 118.8° | 120.1° |
| C1 | C2 | C3 | H12 | 165.1° | 177.5° |
| C1 | C2 | C3 | H13 | 75.8° | 62.3° |
| C2 | C1 | C6 | H18 | 110.9° | 60.8° |
| C2 | C1 | C6 | H19 | 130.5° | 179.2° |
| C1 | C2 | N8 | H39 | 51.2° | 94.7° |
| C3 | C4 | N5 | H20 | 120.6° | 120.0° |
| C3 | C4 | N5 | H21 | 120.5° | 120.0° |
| C3 | C4 | N5 | C6 | 45.2° | 61.7° |
| C3 | C4 | N5 | C7 | 174.6° | 174.1° |
| C4 | C3 | H12 | H13 | 118.6° | 120.1° |
| C3 | C4 | H20 | H21 | 118.3° | 120.0° |
| C4 | C3 | C2 | H30 | 147.2° | 62.2° |
| C1 | C6 | N5 | C4 | 52.8° | 61.7° |
| C1 | C6 | N5 | H18 | 120.7° | 120.0° |
| C1 | C6 | N5 | H19 | 120.7° | 120.0° |
| C1 | C6 | N5 | C7 | 164.1° | 174.1° |
| C6 | C1 | H10 | H11 | 118.8° | 120.1° |
| C1 | C6 | H18 | H19 | 117.9° | 119.9° |
| C6 | C1 | C2 | H30 | 140.2° | 62.3° |
| C4 | N5 | C6 | C7 | 143.0° | 124.2° |
| N5 | C4 | C3 | H12 | 123.0° | 179.1° |
| N5 | C4 | C3 | H13 | 117.9° | 60.8° |
| C4 | N5 | C6 | H18 | 67.8° | 58.3° |
| C4 | N5 | C6 | H19 | 173.5° | 178.2° |
| N5 | C4 | H20 | H21 | 118.3° | 120.0° |
| C4 | N5 | C7 | H34 | 180.0° | 175.8° |
| C4 | N5 | C7 | H35 | 60.0° | 55.7° |
| C4 | N5 | C7 | H36 | 60.0° | 64.2° |
| N5 | C6 | C1 | H10 | 130.2° | 60.7° |
| N5 | C6 | C1 | H11 | 110.6° | 179.2° |
| N5 | C6 | H18 | H19 | 117.9° | 120.0° |
| C6 | N5 | C4 | H20 | 165.8° | 178.3° |
| C6 | N5 | C4 | H21 | 75.3° | 58.3° |
| C6 | N5 | C7 | H34 | 38.1° | 59.9° |
| C6 | N5 | C7 | H35 | 158.1° | 180.0° |
| C6 | N5 | C7 | H36 | 81.9° | 60.1° |
| C7 | N5 | C6 | H18 | 75.2° | 65.9° |
| C7 | N5 | C6 | H19 | 43.4° | 54.1° |
| C7 | N5 | C4 | H20 | 54.0° | 54.1° |
| C7 | N5 | C4 | H21 | 64.9° | 65.8° |
| N5 | C7 | H34 | H35 | 120.0° | 120.1° |
| N5 | C7 | H34 | H36 | 120.0° | 120.0° |
| N5 | C7 | H35 | H36 | 120.0° | 119.9° |
| H1 | C24 | C25 | H2 | 0.9° | 0.3° |
| H5 | C36 | H6 | H7 | 120.0° | 120.1° |
| H5 | C36 | C35 | H8 | 60.7° | 60.1° |
| H5 | C36 | C35 | H9 | 60.6° | 180.0° |
| H6 | C36 | C35 | H8 | 179.3° | 180.0° |
| H6 | C36 | C35 | H9 | 59.4° | 60.0° |
| H7 | C36 | C35 | H8 | 59.4° | 60.0° |
| H7 | C36 | C35 | H9 | 179.3° | 60.0° |
| H10 | C1 | C6 | H18 | 9.5° | 179.3° |
| H10 | C1 | C6 | H19 | 109.1° | 59.3° |
| H10 | C1 | C2 | H30 | 19.8° | 177.8° |
| H11 | C1 | C6 | H18 | 128.7° | 59.2° |
| H11 | C1 | C6 | H19 | 10.1° | 60.8° |
| H11 | C1 | C2 | H30 | 99.4° | 57.7° |
| H12 | C3 | C4 | H20 | 2.4° | 60.9° |
| H12 | C3 | C4 | H21 | 116.5° | 59.0° |
| H12 | C3 | C2 | H30 | 92.3° | 57.6° |
| H13 | C3 | C4 | H20 | 121.5° | 59.2° |
| H13 | C3 | C4 | H21 | 2.6° | 179.2° |
| H13 | C3 | C2 | H30 | 26.8° | 177.8° |
| H14 | C38 | C37 | H22 | 164.1° | 63.4° |
| H14 | C38 | C37 | H23 | 71.0° | 56.6° |
| H15 | C38 | C37 | H22 | 75.6° | 56.8° |
| H15 | C38 | C37 | H23 | 49.4° | 176.8° |
| H16 | C40 | C41 | H24 | 148.0° | 176.9° |
| H16 | C40 | C41 | H25 | 32.3° | 56.9° |
| H17 | C40 | C41 | H24 | 27.3° | 56.7° |
| H17 | C40 | C41 | H25 | 88.4° | 63.3° |
| H30 | C2 | N8 | H39 | 51.7° | 145.2° |
| H31 | C31 | H32 | H33 | 120.0° | 120.0° |
| H34 | C7 | H35 | H36 | 120.0° | 120.0° |
