70I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C2 | sing | 1.40Å | 1.40Å | |
| C2 | C5 | sing | 1.54Å | 1.54Å | |
| C2 | C3 | sing | 1.54Å | 1.53Å | |
| C5 | N4 | sing | 1.48Å | 1.48Å | |
| CL44 | C43 | sing | 1.74Å | 1.74Å | |
| C36 | C35 | doub | 1.35Å | 1.36Å | Aromatic |
| C36 | N37 | sing | 1.36Å | 1.37Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.42Å | Aromatic |
| N4 | C3 | sing | 1.48Å | 1.48Å | |
| N4 | C6 | sing | 1.47Å | 1.48Å | |
| N37 | N38 | sing | 1.40Å | 1.40Å | Aromatic |
| N37 | C41 | sing | 1.37Å | 1.38Å | Aromatic |
| O33 | C34 | sing | 1.36Å | 1.37Å | |
| O33 | C32 | sing | 1.36Å | 1.37Å | |
| C34 | C42 | doub | 1.37Å | 1.40Å | Aromatic |
| N38 | C39 | doub | 1.31Å | 1.31Å | Aromatic |
| C43 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C43 | C45 | sing | 1.38Å | 1.40Å | Aromatic |
| O10 | C9 | doub | 1.21Å | 1.22Å | |
| C32 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C45 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C41 | C42 | sing | 1.40Å | 1.41Å | Aromatic |
| C41 | N40 | doub | 1.33Å | 1.33Å | Aromatic |
| C39 | N40 | sing | 1.33Å | 1.33Å | Aromatic |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C9 | C8 | sing | 1.51Å | 1.52Å | |
| C9 | N11 | sing | 1.35Å | 1.39Å | |
| C30 | CL31 | sing | 1.74Å | 1.73Å | |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N11 | sing | 1.47Å | 1.49Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | N27 | sing | 1.40Å | 1.40Å | |
| N11 | C12 | sing | 1.47Å | 1.49Å | |
| C15 | N14 | sing | 1.47Å | 1.49Å | |
| N27 | C26 | sing | 1.38Å | 1.39Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| N14 | C13 | sing | 1.47Å | 1.49Å | |
| N14 | C17 | sing | 1.38Å | 1.41Å | |
| C26 | C19 | doub | 1.42Å | 1.48Å | Aromatic |
| C26 | N25 | sing | 1.33Å | 1.35Å | Aromatic |
| N18 | C17 | doub | 1.32Å | 1.34Å | Aromatic |
| N18 | C19 | sing | 1.33Å | 1.35Å | Aromatic |
| C17 | N22 | sing | 1.33Å | 1.35Å | Aromatic |
| C19 | C20 | sing | 1.41Å | 1.44Å | Aromatic |
| N25 | C24 | doub | 1.32Å | 1.34Å | Aromatic |
| N22 | C21 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | N23 | sing | 1.31Å | 1.33Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | N23 | doub | 1.34Å | 1.36Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C35 | H20 | sing | 1.08Å | 1.08Å | |
| C36 | H21 | sing | 1.08Å | 1.08Å | |
| C39 | H22 | sing | 1.08Å | 1.08Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| N27 | H26 | sing | 0.97Å | 1.00Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C42 | H28 | sing | 1.08Å | 1.08Å | |
| C45 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C2 | C5 | 114.9° | 113.7° |
| F1 | C2 | C3 | 113.1° | 113.8° |
| F1 | C2 | H1 | 115.4° | 113.0° |
| C5 | C2 | C3 | 83.4° | 86.3° |
| C2 | C5 | N4 | 90.2° | 86.2° |
| C5 | C2 | H1 | 112.9° | 113.7° |
| C2 | C5 | H4 | 114.0° | 113.7° |
| C2 | C5 | H5 | 114.0° | 113.8° |
| C2 | C3 | N4 | 90.6° | 86.2° |
| C3 | C2 | H1 | 113.1° | 113.7° |
| C2 | C3 | H2 | 113.9° | 113.8° |
| C2 | C3 | H3 | 113.9° | 113.7° |
| C5 | N4 | C3 | 87.2° | 90.8° |
| C5 | N4 | C6 | 113.7° | 111.0° |
| N4 | C5 | H4 | 114.0° | 113.8° |
| N4 | C5 | H5 | 114.0° | 113.7° |
| CL44 | C43 | C32 | 119.7° | 120.0° |
| CL44 | C43 | C45 | 120.5° | 120.0° |
| C35 | C36 | N37 | 120.1° | 120.7° |
| C36 | C35 | C34 | 119.9° | 120.1° |
| C36 | C35 | H20 | 120.1° | 120.0° |
| C35 | C36 | H21 | 120.0° | 119.6° |
| C36 | N37 | N38 | 131.7° | 133.1° |
| C36 | N37 | C41 | 122.5° | 120.7° |
| N37 | C36 | H21 | 120.0° | 119.7° |
| C35 | C34 | O33 | 115.8° | 120.2° |
| C35 | C34 | C42 | 119.9° | 119.5° |
| C34 | C35 | H20 | 120.0° | 120.0° |
| C3 | N4 | C6 | 114.3° | 111.0° |
| N4 | C3 | H2 | 114.0° | 113.8° |
| N4 | C3 | H3 | 114.0° | 113.9° |
| N4 | C6 | C7 | 113.6° | 109.5° |
| N4 | C6 | H6 | 108.4° | 109.5° |
| N4 | C6 | H7 | 108.5° | 109.5° |
| N38 | N37 | C41 | 105.8° | 106.2° |
| N37 | N38 | C39 | 107.3° | 107.1° |
| N37 | C41 | C42 | 118.7° | 119.8° |
| N37 | C41 | N40 | 107.8° | 107.4° |
| C34 | O33 | C32 | 121.5° | 118.0° |
| O33 | C34 | C42 | 124.4° | 120.3° |
| O33 | C32 | C43 | 120.5° | 120.0° |
| O33 | C32 | C30 | 119.4° | 120.0° |
| C34 | C42 | C41 | 119.0° | 119.3° |
| C34 | C42 | H28 | 120.5° | 120.3° |
| N38 | C39 | N40 | 110.2° | 109.7° |
| N38 | C39 | H22 | 124.9° | 125.2° |
| C32 | C43 | C45 | 119.8° | 120.0° |
| C43 | C32 | C30 | 120.0° | 120.0° |
| C43 | C45 | C28 | 120.1° | 120.0° |
| C43 | C45 | H29 | 119.9° | 120.0° |
| O10 | C9 | C8 | 113.1° | 120.0° |
| O10 | C9 | N11 | 119.8° | 120.0° |
| C32 | C30 | CL31 | 120.9° | 120.0° |
| C32 | C30 | C29 | 120.4° | 120.0° |
| C6 | C7 | C8 | 115.5° | 109.5° |
| C7 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | H7 | 108.4° | 109.5° |
| C6 | C7 | H8 | 107.9° | 109.5° |
| C6 | C7 | H9 | 107.9° | 109.5° |
| C45 | C28 | C29 | 119.5° | 120.0° |
| C45 | C28 | N27 | 119.6° | 120.0° |
| C28 | C45 | H29 | 119.9° | 120.0° |
| C42 | C41 | N40 | 133.6° | 132.9° |
| C41 | C42 | H28 | 120.5° | 120.4° |
| C41 | N40 | C39 | 108.9° | 109.6° |
| N40 | C39 | H22 | 124.9° | 125.2° |
| C7 | C8 | C9 | 113.4° | 109.5° |
| C8 | C7 | H8 | 108.0° | 109.5° |
| C8 | C7 | H9 | 107.9° | 109.4° |
| C7 | C8 | H10 | 108.5° | 109.5° |
| C7 | C8 | H11 | 108.5° | 109.5° |
| C8 | C9 | N11 | 127.1° | 120.0° |
| C9 | C8 | H10 | 108.5° | 109.5° |
| C9 | C8 | H11 | 108.5° | 109.5° |
| C9 | N11 | C16 | 122.9° | 120.9° |
| C9 | N11 | C12 | 126.1° | 120.9° |
| CL31 | C30 | C29 | 118.6° | 120.0° |
| C30 | C29 | C28 | 120.2° | 120.0° |
| C30 | C29 | H27 | 119.9° | 120.0° |
| N11 | C16 | C15 | 106.4° | 108.5° |
| C16 | N11 | C12 | 111.0° | 118.3° |
| N11 | C16 | H16 | 110.2° | 109.7° |
| N11 | C16 | H17 | 110.2° | 109.6° |
| C16 | C15 | N14 | 109.4° | 109.4° |
| C16 | C15 | H14 | 109.5° | 109.6° |
| C16 | C15 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 110.3° | 109.6° |
| C15 | C16 | H17 | 110.2° | 109.6° |
| C29 | C28 | N27 | 120.9° | 120.0° |
| C28 | C29 | H27 | 119.9° | 120.0° |
| C28 | N27 | C26 | 124.9° | 120.0° |
| C28 | N27 | H26 | 117.5° | 120.0° |
| N11 | C12 | C13 | 109.9° | 108.5° |
| N11 | C12 | H12 | 109.4° | 109.6° |
| N11 | C12 | H13 | 109.4° | 109.8° |
| C15 | N14 | C13 | 109.9° | 111.3° |
| C15 | N14 | C17 | 118.6° | 111.0° |
| N14 | C15 | H14 | 109.5° | 109.5° |
| N14 | C15 | H15 | 109.5° | 109.5° |
| N27 | C26 | C19 | 118.7° | 121.0° |
| N27 | C26 | N25 | 124.8° | 121.0° |
| C26 | N27 | H26 | 117.6° | 120.0° |
| C12 | C13 | N14 | 109.1° | 109.3° |
| C13 | C12 | H12 | 109.3° | 109.6° |
| C13 | C12 | H13 | 109.3° | 109.6° |
| C12 | C13 | H24 | 109.6° | 109.5° |
| C12 | C13 | H25 | 109.6° | 109.5° |
| C13 | N14 | C17 | 118.7° | 111.0° |
| N14 | C13 | H24 | 109.5° | 109.5° |
| N14 | C13 | H25 | 109.6° | 109.5° |
| N14 | C17 | N18 | 119.7° | 118.7° |
| N14 | C17 | N22 | 121.5° | 118.7° |
| C19 | C26 | N25 | 116.6° | 118.0° |
| C26 | C19 | N18 | 122.5° | 122.8° |
| C26 | C19 | C20 | 118.3° | 118.1° |
| C26 | N25 | C24 | 122.1° | 121.6° |
| C17 | N18 | C19 | 122.9° | 120.1° |
| N18 | C17 | N22 | 118.8° | 122.6° |
| N18 | C19 | C20 | 119.2° | 119.1° |
| C17 | N22 | C21 | 123.0° | 121.6° |
| C19 | C20 | C21 | 116.4° | 118.3° |
| C19 | C20 | N23 | 118.9° | 118.9° |
| N25 | C24 | N23 | 123.8° | 122.9° |
| N25 | C24 | H19 | 118.1° | 118.5° |
| N22 | C21 | C20 | 119.6° | 118.3° |
| N22 | C21 | H18 | 120.2° | 120.8° |
| C24 | N23 | C20 | 120.4° | 120.4° |
| N23 | C24 | H19 | 118.1° | 118.6° |
| C21 | C20 | N23 | 124.7° | 122.7° |
| C20 | C21 | H18 | 120.2° | 120.9° |
| H2 | C3 | H3 | 109.5° | 113.0° |
| H4 | C5 | H5 | 109.5° | 113.1° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.6° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H16 | C16 | H17 | 109.5° | 109.8° |
| H24 | C13 | H25 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C2 | C5 | C3 | 112.4° | 114.4° |
| F1 | C2 | C5 | H1 | 135.2° | 131.3° |
| F1 | C2 | C3 | H1 | 133.5° | 131.3° |
| F1 | C2 | C5 | N4 | 91.0° | 90.7° |
| F1 | C2 | C3 | N4 | 92.8° | 90.6° |
| F1 | C2 | C3 | H2 | 150.5° | 155.0° |
| F1 | C2 | C3 | H3 | 23.9° | 23.8° |
| F1 | C2 | C5 | H4 | 25.6° | 23.6° |
| F1 | C2 | C5 | H5 | 152.4° | 155.0° |
| C5 | C2 | C3 | H1 | 112.2° | 114.4° |
| C2 | C5 | N4 | H4 | 116.6° | 114.3° |
| C2 | C5 | N4 | H5 | 116.6° | 114.3° |
| C5 | C2 | C3 | N4 | 21.5° | 23.7° |
| C2 | C5 | N4 | C6 | 137.5° | 137.6° |
| C5 | C2 | C3 | H2 | 95.2° | 90.6° |
| C5 | C2 | C3 | H3 | 138.2° | 138.2° |
| C2 | C5 | H4 | H5 | 129.1° | 131.7° |
| C2 | C3 | N4 | H2 | 116.7° | 114.3° |
| C2 | C3 | N4 | H3 | 116.7° | 114.3° |
| C2 | C3 | N4 | C6 | 137.0° | 137.6° |
| C2 | C3 | H2 | H3 | 128.9° | 131.6° |
| C3 | C2 | C5 | H4 | 138.1° | 138.0° |
| C3 | C2 | C5 | H5 | 95.1° | 90.6° |
| C5 | N4 | C3 | C6 | 114.8° | 112.9° |
| C5 | N4 | C6 | C7 | 155.0° | 170.0° |
| N4 | C5 | C2 | H1 | 133.8° | 138.0° |
| C5 | N4 | C3 | H2 | 94.4° | 89.6° |
| C5 | N4 | C3 | H3 | 138.9° | 139.0° |
| N4 | C5 | H4 | H5 | 129.1° | 131.7° |
| C5 | N4 | C6 | H6 | 34.3° | 70.0° |
| C5 | N4 | C6 | H7 | 84.5° | 50.0° |
| CL44 | C43 | C32 | O33 | 1.6° | 0.0° |
| CL44 | C43 | C32 | C45 | 179.5° | 180.0° |
| CL44 | C43 | C32 | C30 | 179.7° | 180.0° |
| CL44 | C43 | C45 | C28 | 179.7° | 179.8° |
| CL44 | C43 | C45 | H29 | 0.3° | 0.0° |
| C35 | C36 | N37 | H21 | 180.0° | 180.0° |
| C36 | C35 | C34 | H20 | 180.0° | 179.9° |
| C35 | C36 | N37 | N38 | 180.0° | 180.0° |
| C35 | C36 | N37 | C41 | 0.4° | 0.0° |
| C36 | C35 | C34 | O33 | 179.9° | 179.7° |
| C36 | C35 | C34 | C42 | 0.4° | 0.0° |
| N37 | C36 | C35 | C34 | 0.1° | 0.0° |
| C36 | N37 | N38 | C41 | 179.6° | 180.0° |
| C36 | N37 | N38 | C39 | 179.7° | 180.0° |
| C36 | N37 | C41 | C42 | 0.2° | 0.1° |
| C36 | N37 | C41 | N40 | 179.8° | 179.9° |
| N37 | C36 | C35 | H20 | 179.9° | 180.0° |
| C35 | C34 | O33 | C42 | 179.4° | 179.7° |
| C35 | C34 | O33 | C32 | 153.2° | 179.7° |
| C35 | C34 | C42 | C41 | 0.7° | 0.0° |
| C34 | C35 | C36 | H21 | 179.9° | 179.9° |
| C35 | C34 | C42 | H28 | 179.4° | 179.9° |
| C3 | N4 | C6 | C7 | 107.0° | 90.6° |
| N4 | C3 | C2 | H1 | 133.7° | 138.1° |
| N4 | C3 | H2 | H3 | 129.0° | 131.8° |
| C3 | N4 | C5 | H4 | 138.7° | 139.0° |
| C3 | N4 | C5 | H5 | 94.5° | 89.6° |
| C3 | N4 | C6 | H6 | 132.4° | 29.4° |
| C3 | N4 | C6 | H7 | 13.6° | 149.4° |
| N4 | C6 | C7 | H6 | 120.6° | 120.0° |
| N4 | C6 | C7 | H7 | 120.6° | 120.0° |
| N4 | C6 | C7 | C8 | 55.2° | 180.0° |
| C6 | N4 | C3 | H2 | 20.4° | 23.3° |
| C6 | N4 | C3 | H3 | 106.3° | 108.1° |
| C6 | N4 | C5 | H4 | 105.9° | 108.1° |
| C6 | N4 | C5 | H5 | 20.9° | 23.3° |
| N4 | C6 | H6 | H7 | 118.1° | 120.0° |
| N4 | C6 | C7 | H8 | 65.7° | 60.0° |
| N4 | C6 | C7 | H9 | 176.1° | 60.0° |
| N38 | N37 | C41 | C42 | 179.9° | 179.9° |
| N38 | N37 | C41 | N40 | 0.1° | 0.1° |
| N37 | N38 | C39 | N40 | 0.0° | 0.0° |
| N38 | N37 | C36 | H21 | 0.0° | 0.0° |
| N37 | N38 | C39 | H22 | 180.0° | 180.0° |
| N37 | C41 | C42 | C34 | 0.3° | 0.1° |
| C41 | N37 | N38 | C39 | 0.1° | 0.0° |
| N37 | C41 | C42 | N40 | 180.0° | 179.8° |
| N37 | C41 | N40 | C39 | 0.1° | 0.1° |
| C41 | N37 | C36 | H21 | 179.6° | 180.0° |
| N37 | C41 | C42 | H28 | 179.7° | 180.0° |
| C34 | O33 | C32 | C43 | 81.6° | 90.0° |
| C34 | O33 | C32 | C30 | 96.5° | 90.0° |
| O33 | C34 | C42 | C41 | 180.0° | 179.8° |
| O33 | C34 | C35 | H20 | 0.1° | 0.2° |
| O33 | C34 | C42 | H28 | 0.0° | 0.3° |
| C32 | O33 | C34 | C42 | 26.2° | 0.0° |
| O33 | C32 | C43 | C30 | 178.1° | 180.0° |
| O33 | C32 | C43 | C45 | 178.9° | 180.0° |
| O33 | C32 | C30 | CL31 | 1.8° | 0.0° |
| O33 | C32 | C30 | C29 | 179.2° | 179.8° |
| C34 | C42 | C41 | H28 | 180.0° | 179.9° |
| C34 | C42 | C41 | N40 | 179.7° | 179.9° |
| C42 | C34 | C35 | H20 | 179.6° | 180.0° |
| N38 | C39 | N40 | C41 | 0.0° | 0.0° |
| N38 | C39 | N40 | H22 | 180.0° | 180.0° |
| C32 | C43 | C45 | C28 | 0.8° | 0.3° |
| C43 | C32 | C30 | CL31 | 179.9° | 180.0° |
| C43 | C32 | C30 | C29 | 1.1° | 0.3° |
| C32 | C43 | C45 | H29 | 179.2° | 180.0° |
| C45 | C43 | C32 | C30 | 0.8° | 0.0° |
| C43 | C45 | C28 | H29 | 180.0° | 179.7° |
| C43 | C45 | C28 | C29 | 1.1° | 0.2° |
| C43 | C45 | C28 | N27 | 179.6° | 179.7° |
| O10 | C9 | C8 | C7 | 64.5° | 0.1° |
| O10 | C9 | C8 | N11 | 178.4° | 179.9° |
| O10 | C9 | N11 | C16 | 0.7° | 0.0° |
| O10 | C9 | N11 | C12 | 180.0° | 180.0° |
| O10 | C9 | C8 | H10 | 174.9° | 119.9° |
| O10 | C9 | C8 | H11 | 56.1° | 120.0° |
| C32 | C30 | CL31 | C29 | 179.0° | 179.7° |
| C32 | C30 | C29 | C28 | 1.4° | 0.3° |
| C32 | C30 | C29 | H27 | 178.6° | 179.7° |
| C6 | C7 | C8 | H8 | 120.9° | 120.1° |
| C6 | C7 | C8 | H9 | 120.9° | 120.0° |
| C6 | C7 | C8 | C9 | 131.4° | 180.0° |
| C7 | C6 | H6 | H7 | 118.1° | 120.0° |
| C6 | C7 | H8 | H9 | 117.2° | 120.0° |
| C6 | C7 | C8 | H10 | 108.0° | 60.0° |
| C6 | C7 | C8 | H11 | 10.8° | 60.0° |
| C45 | C28 | C29 | C30 | 1.3° | 0.0° |
| C45 | C28 | C29 | N27 | 178.6° | 179.9° |
| C45 | C28 | N27 | C26 | 133.2° | 32.9° |
| C45 | C28 | N27 | H26 | 46.9° | 147.2° |
| C45 | C28 | C29 | H27 | 178.7° | 180.0° |
| C42 | C41 | N40 | C39 | 179.9° | 179.9° |
| C41 | N40 | C39 | H22 | 180.0° | 180.0° |
| N40 | C41 | C42 | H28 | 0.3° | 0.2° |
| C7 | C8 | C9 | H10 | 120.6° | 120.0° |
| C7 | C8 | C9 | H11 | 120.6° | 120.0° |
| C7 | C8 | C9 | N11 | 117.1° | 180.0° |
| C8 | C7 | C6 | H6 | 175.8° | 60.0° |
| C8 | C7 | C6 | H7 | 65.4° | 59.9° |
| C8 | C7 | H8 | H9 | 117.3° | 120.0° |
| C7 | C8 | H10 | H11 | 118.2° | 120.0° |
| C8 | C9 | N11 | C16 | 179.0° | 179.9° |
| C8 | C9 | N11 | C12 | 1.7° | 0.0° |
| C9 | C8 | C7 | H8 | 10.5° | 59.9° |
| C9 | C8 | C7 | H9 | 107.8° | 60.1° |
| C9 | C8 | H10 | H11 | 118.2° | 120.0° |
| C9 | N11 | C16 | C12 | 179.4° | 180.0° |
| C9 | N11 | C16 | C15 | 119.3° | 128.9° |
| C9 | N11 | C12 | C13 | 120.5° | 128.8° |
| N11 | C9 | C8 | H10 | 3.5° | 60.0° |
| N11 | C9 | C8 | H11 | 122.3° | 60.0° |
| C9 | N11 | C12 | H12 | 119.5° | 9.2° |
| C9 | N11 | C12 | H13 | 0.5° | 111.4° |
| C9 | N11 | C16 | H16 | 0.2° | 9.1° |
| C9 | N11 | C16 | H17 | 121.2° | 111.5° |
| CL31 | C30 | C29 | C28 | 179.6° | 180.0° |
| CL31 | C30 | C29 | H27 | 0.4° | 0.0° |
| C30 | C29 | C28 | H27 | 180.0° | 180.0° |
| C30 | C29 | C28 | N27 | 179.9° | 179.9° |
| N11 | C16 | C15 | H16 | 119.5° | 119.8° |
| N11 | C16 | C15 | H17 | 119.5° | 119.7° |
| N11 | C16 | C15 | N14 | 62.1° | 53.8° |
| C16 | N11 | C12 | C13 | 60.1° | 51.2° |
| C16 | N11 | C12 | H12 | 59.9° | 170.8° |
| C16 | N11 | C12 | H13 | 179.8° | 68.6° |
| N11 | C16 | C15 | H14 | 57.9° | 173.8° |
| N11 | C16 | C15 | H15 | 177.9° | 66.2° |
| N11 | C16 | H16 | H17 | 121.4° | 120.5° |
| C15 | C16 | N11 | C12 | 61.3° | 51.1° |
| C16 | C15 | N14 | H14 | 120.0° | 120.0° |
| C16 | C15 | N14 | H15 | 120.0° | 120.0° |
| C16 | C15 | N14 | C13 | 62.6° | 63.0° |
| C16 | C15 | N14 | C17 | 78.7° | 172.8° |
| C16 | C15 | H14 | H15 | 120.0° | 120.1° |
| C15 | C16 | H16 | H17 | 121.4° | 120.4° |
| C29 | C28 | N27 | C26 | 48.3° | 147.2° |
| C29 | C28 | N27 | H26 | 131.7° | 32.7° |
| C29 | C28 | C45 | H29 | 178.9° | 180.0° |
| C28 | N27 | C26 | H26 | 180.0° | 179.9° |
| C28 | N27 | C26 | C19 | 170.7° | 174.5° |
| C28 | N27 | C26 | N25 | 10.2° | 5.5° |
| N27 | C28 | C29 | H27 | 0.1° | 0.1° |
| N27 | C28 | C45 | H29 | 0.4° | 0.1° |
| N11 | C12 | C13 | H12 | 120.1° | 119.7° |
| N11 | C12 | C13 | H13 | 120.1° | 119.9° |
| N11 | C12 | C13 | N14 | 57.3° | 53.8° |
| N11 | C12 | H12 | H13 | 119.9° | 120.7° |
| C12 | N11 | C16 | H16 | 179.1° | 170.9° |
| C12 | N11 | C16 | H17 | 58.2° | 68.5° |
| N11 | C12 | C13 | H24 | 177.2° | 66.1° |
| N11 | C12 | C13 | H25 | 62.7° | 173.8° |
| C15 | N14 | C13 | C12 | 59.0° | 63.1° |
| C15 | N14 | C13 | C17 | 141.2° | 124.2° |
| C15 | N14 | C17 | N18 | 15.2° | 179.7° |
| C15 | N14 | C17 | N22 | 166.0° | 0.0° |
| N14 | C15 | H14 | H15 | 120.0° | 120.0° |
| N14 | C15 | C16 | H16 | 178.4° | 173.5° |
| N14 | C15 | C16 | H17 | 57.4° | 65.9° |
| C15 | N14 | C13 | H24 | 179.0° | 56.9° |
| C15 | N14 | C13 | H25 | 60.9° | 176.9° |
| N27 | C26 | C19 | N25 | 179.1° | 180.0° |
| N27 | C26 | C19 | N18 | 0.5° | 0.3° |
| N27 | C26 | C19 | C20 | 179.7° | 180.0° |
| N27 | C26 | N25 | C24 | 180.0° | 179.4° |
| C12 | C13 | N14 | H24 | 120.0° | 119.9° |
| C12 | C13 | N14 | H25 | 120.0° | 120.0° |
| C12 | C13 | N14 | C17 | 82.1° | 172.8° |
| C13 | C12 | H12 | H13 | 119.8° | 120.3° |
| C12 | C13 | H24 | H25 | 120.2° | 120.1° |
| C13 | N14 | C17 | N18 | 153.0° | 55.9° |
| C13 | N14 | C17 | N22 | 28.2° | 124.3° |
| N14 | C13 | C12 | H12 | 62.8° | 173.5° |
| N14 | C13 | C12 | H13 | 177.3° | 66.1° |
| C13 | N14 | C15 | H14 | 57.4° | 176.9° |
| C13 | N14 | C15 | H15 | 177.4° | 56.9° |
| N14 | C13 | H24 | H25 | 120.1° | 120.1° |
| N14 | C17 | N18 | N22 | 178.8° | 179.7° |
| N14 | C17 | N18 | C19 | 179.7° | 179.7° |
| N14 | C17 | N22 | C21 | 179.7° | 180.0° |
| C17 | N14 | C15 | H14 | 161.3° | 52.7° |
| C17 | N14 | C15 | H15 | 41.4° | 67.3° |
| C17 | N14 | C13 | H24 | 37.8° | 67.3° |
| C17 | N14 | C13 | H25 | 157.9° | 52.7° |
| C26 | C19 | N18 | C17 | 179.7° | 179.7° |
| C26 | C19 | N18 | C20 | 179.9° | 179.7° |
| C19 | C26 | N25 | C24 | 0.9° | 0.6° |
| C26 | C19 | C20 | C21 | 179.9° | 180.0° |
| C26 | C19 | C20 | N23 | 0.1° | 0.3° |
| C19 | C26 | N27 | H26 | 9.2° | 5.6° |
| N25 | C26 | C19 | N18 | 179.6° | 179.8° |
| N25 | C26 | C19 | C20 | 0.5° | 0.0° |
| C26 | N25 | C24 | N23 | 0.7° | 0.9° |
| C26 | N25 | C24 | H19 | 179.4° | 179.7° |
| N25 | C26 | N27 | H26 | 169.8° | 174.4° |
| C17 | N18 | C19 | C20 | 0.4° | 0.0° |
| N18 | C17 | N22 | C21 | 0.9° | 0.3° |
| C19 | N18 | C17 | N22 | 0.8° | 0.0° |
| N18 | C19 | C20 | C21 | 0.1° | 0.3° |
| N18 | C19 | C20 | N23 | 179.8° | 180.0° |
| C17 | N22 | C21 | C20 | 0.5° | 0.5° |
| C17 | N22 | C21 | H18 | 179.5° | 180.0° |
| C19 | C20 | C21 | N22 | 0.1° | 0.5° |
| C19 | C20 | N23 | C24 | 0.3° | 0.0° |
| C19 | C20 | C21 | N23 | 179.9° | 179.7° |
| C19 | C20 | C21 | H18 | 179.9° | 180.0° |
| N25 | C24 | N23 | H19 | 180.0° | 179.3° |
| N25 | C24 | N23 | C20 | 0.0° | 0.6° |
| N22 | C21 | C20 | H18 | 180.0° | 179.5° |
| N22 | C21 | C20 | N23 | 179.8° | 179.8° |
| C24 | N23 | C20 | C21 | 179.8° | 179.7° |
| N23 | C20 | C21 | H18 | 0.2° | 0.3° |
| C20 | N23 | C24 | H19 | 180.0° | 180.0° |
| H1 | C2 | C3 | H2 | 17.0° | 23.8° |
| H1 | C2 | C3 | H3 | 109.6° | 107.5° |
| H1 | C2 | C5 | H4 | 109.6° | 107.7° |
| H1 | C2 | C5 | H5 | 17.2° | 23.7° |
| H6 | C6 | C7 | H8 | 54.9° | 60.0° |
| H6 | C6 | C7 | H9 | 63.4° | 180.0° |
| H7 | C6 | C7 | H8 | 173.7° | 180.0° |
| H7 | C6 | C7 | H9 | 55.4° | 60.0° |
| H8 | C7 | C8 | H10 | 131.1° | 179.9° |
| H8 | C7 | C8 | H11 | 110.1° | 60.1° |
| H9 | C7 | C8 | H10 | 12.8° | 60.0° |
| H9 | C7 | C8 | H11 | 131.6° | 180.0° |
| H12 | C12 | C13 | H24 | 57.1° | 53.6° |
| H12 | C12 | C13 | H25 | 177.2° | 66.5° |
| H13 | C12 | C13 | H24 | 62.7° | 173.9° |
| H13 | C12 | C13 | H25 | 57.4° | 53.9° |
| H14 | C15 | C16 | H16 | 61.6° | 66.5° |
| H14 | C15 | C16 | H17 | 177.4° | 54.1° |
| H15 | C15 | C16 | H16 | 58.4° | 53.6° |
| H15 | C15 | C16 | H17 | 62.6° | 174.1° |
| H20 | C35 | C36 | H21 | 0.1° | 0.0° |
