A1DCD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| F39 | C37 | sing | 1.40Å | 1.36Å | |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C24 | sing | 1.51Å | 1.54Å | |
| O29 | C30 | sing | 1.43Å | 1.41Å | |
| O29 | C26 | sing | 1.43Å | 1.34Å | |
| C18 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N16 | sing | 1.40Å | 1.49Å | |
| C25 | C24 | sing | 1.54Å | 1.51Å | |
| C25 | C26 | sing | 1.54Å | 1.51Å | |
| C17 | N16 | sing | 1.47Å | 1.45Å | |
| C17 | C11 | sing | 1.51Å | 1.37Å | |
| N16 | C14 | sing | 1.34Å | 1.45Å | |
| C24 | C28 | sing | 1.54Å | 1.52Å | |
| C24 | C31 | sing | 1.51Å | 1.53Å | |
| C36 | N32 | sing | 1.46Å | 1.45Å | |
| C26 | C28 | sing | 1.54Å | 1.51Å | |
| C11 | C10 | doub | 1.38Å | 1.67Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.62Å | Aromatic |
| C37 | F40 | sing | 1.40Å | 1.37Å | |
| C37 | F38 | sing | 1.40Å | 1.36Å | |
| C37 | C10 | sing | 1.51Å | 1.53Å | |
| C14 | C12 | sing | 1.48Å | 1.38Å | |
| C14 | O15 | doub | 1.22Å | 1.39Å | |
| C10 | C9 | sing | 1.39Å | 1.17Å | Aromatic |
| C5 | C4 | sing | 1.54Å | 1.51Å | |
| C5 | C2 | sing | 1.54Å | 1.51Å | |
| N32 | C31 | sing | 1.36Å | 1.33Å | Aromatic |
| N32 | C33 | sing | 1.35Å | 1.32Å | Aromatic |
| C31 | N35 | doub | 1.31Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C12 | C13 | doub | 1.40Å | 1.44Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 0.98Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C13 | C8 | sing | 1.38Å | 1.00Å | Aromatic |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C2 | N6 | sing | 1.47Å | 1.41Å | |
| C8 | C7 | sing | 1.51Å | 1.55Å | |
| C33 | N34 | doub | 1.31Å | 1.33Å | Aromatic |
| N35 | N34 | sing | 1.29Å | 1.37Å | Aromatic |
| N6 | C7 | sing | 1.47Å | 1.46Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C21 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| N6 | H32 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 119.1° | 120.1° |
| C22 | C21 | C20 | 120.1° | 120.2° |
| C22 | C21 | H17 | 119.9° | 119.9° |
| C21 | C22 | H18 | 120.4° | 120.0° |
| C22 | C23 | C18 | 120.2° | 119.9° |
| C23 | C22 | H18 | 120.5° | 119.9° |
| C22 | C23 | H19 | 119.9° | 120.0° |
| C21 | C20 | C19 | 120.9° | 120.1° |
| C21 | C20 | C24 | 120.6° | 120.0° |
| C20 | C21 | H17 | 120.0° | 119.9° |
| C23 | C18 | C19 | 121.1° | 119.9° |
| C23 | C18 | N16 | 118.0° | 120.1° |
| C18 | C23 | H19 | 119.9° | 120.1° |
| F39 | C37 | F40 | 109.2° | 109.5° |
| F39 | C37 | F38 | 110.7° | 109.5° |
| F39 | C37 | C10 | 107.0° | 109.4° |
| C19 | C20 | C24 | 118.6° | 120.0° |
| C20 | C19 | C18 | 118.6° | 119.9° |
| C20 | C19 | H16 | 120.7° | 120.0° |
| C20 | C24 | C25 | 123.6° | 113.6° |
| C20 | C24 | C28 | 116.1° | 113.6° |
| C20 | C24 | C31 | 110.0° | 112.8° |
| C30 | O29 | C26 | 113.9° | 114.0° |
| O29 | C30 | H25 | 109.5° | 109.4° |
| O29 | C30 | H26 | 109.5° | 109.5° |
| O29 | C30 | H27 | 109.5° | 109.4° |
| O29 | C26 | C25 | 112.4° | 113.6° |
| O29 | C26 | C28 | 112.2° | 113.6° |
| O29 | C26 | H22 | 115.4° | 113.0° |
| C19 | C18 | N16 | 120.9° | 120.1° |
| C18 | C19 | H16 | 120.7° | 120.1° |
| C18 | N16 | C17 | 122.1° | 125.6° |
| C18 | N16 | C14 | 127.1° | 125.6° |
| C24 | C25 | C26 | 90.1° | 87.1° |
| C25 | C24 | C28 | 89.4° | 87.1° |
| C25 | C24 | C31 | 111.3° | 113.7° |
| C24 | C25 | H20 | 114.1° | 113.7° |
| C24 | C25 | H21 | 114.1° | 113.6° |
| C25 | C26 | C28 | 89.5° | 87.1° |
| C26 | C25 | H20 | 114.0° | 113.6° |
| C26 | C25 | H21 | 114.1° | 113.6° |
| C25 | C26 | H22 | 112.3° | 113.6° |
| N16 | C17 | C11 | 108.7° | 106.2° |
| C17 | N16 | C14 | 110.8° | 108.8° |
| N16 | C17 | H14 | 109.7° | 110.1° |
| N16 | C17 | H15 | 109.7° | 110.1° |
| C17 | C11 | C10 | 160.1° | 133.3° |
| C17 | C11 | C12 | 106.2° | 106.4° |
| C11 | C17 | H14 | 109.7° | 110.1° |
| C11 | C17 | H15 | 109.7° | 110.1° |
| N16 | C14 | C12 | 107.8° | 110.3° |
| N16 | C14 | O15 | 126.8° | 124.8° |
| C28 | C24 | C31 | 103.4° | 113.6° |
| C24 | C28 | C26 | 89.9° | 87.0° |
| C24 | C28 | H23 | 114.1° | 113.6° |
| C24 | C28 | H24 | 114.1° | 113.6° |
| C24 | C31 | N32 | 126.7° | 126.3° |
| C24 | C31 | N35 | 125.4° | 126.4° |
| C36 | N32 | C31 | 126.7° | 127.0° |
| C36 | N32 | C33 | 125.1° | 127.0° |
| N32 | C36 | H29 | 109.5° | 109.5° |
| N32 | C36 | H30 | 109.5° | 109.5° |
| N32 | C36 | H31 | 109.4° | 109.5° |
| C28 | C26 | H22 | 112.3° | 113.6° |
| C26 | C28 | H23 | 114.1° | 113.6° |
| C26 | C28 | H24 | 114.1° | 113.6° |
| C10 | C11 | C12 | 93.7° | 120.3° |
| C11 | C10 | C37 | 118.9° | 120.0° |
| C11 | C10 | C9 | 115.0° | 120.0° |
| C11 | C12 | C14 | 106.5° | 108.3° |
| C11 | C12 | C13 | 120.4° | 119.4° |
| F40 | C37 | F38 | 110.6° | 109.5° |
| F40 | C37 | C10 | 108.0° | 109.5° |
| F38 | C37 | C10 | 111.3° | 109.4° |
| C37 | C10 | C9 | 126.1° | 120.0° |
| C12 | C14 | O15 | 125.4° | 124.9° |
| C14 | C12 | C13 | 133.0° | 132.3° |
| C10 | C9 | C8 | 145.4° | 120.2° |
| C10 | C9 | H7 | 107.3° | 119.9° |
| C4 | C5 | C2 | 90.5° | 87.1° |
| C5 | C4 | C3 | 89.4° | 87.1° |
| C5 | C4 | H1 | 114.2° | 113.7° |
| C5 | C4 | H2 | 114.3° | 113.7° |
| C4 | C5 | H3 | 114.0° | 113.7° |
| C4 | C5 | H4 | 114.0° | 113.6° |
| C5 | C2 | C1 | 112.4° | 113.6° |
| C5 | C2 | C3 | 89.2° | 87.1° |
| C5 | C2 | N6 | 113.7° | 113.6° |
| C2 | C5 | H3 | 114.0° | 113.6° |
| C2 | C5 | H4 | 114.0° | 113.6° |
| C31 | N32 | C33 | 108.2° | 106.0° |
| N32 | C31 | N35 | 107.9° | 107.3° |
| N32 | C33 | N34 | 109.4° | 107.3° |
| N32 | C33 | H28 | 125.3° | 126.4° |
| C31 | N35 | N34 | 108.2° | 109.7° |
| C4 | C3 | C2 | 90.6° | 87.0° |
| C3 | C4 | H1 | 114.2° | 113.7° |
| C3 | C4 | H2 | 114.2° | 113.5° |
| C4 | C3 | H9 | 114.0° | 113.6° |
| C4 | C3 | H10 | 114.0° | 113.6° |
| C12 | C13 | C8 | 122.1° | 119.8° |
| C12 | C13 | H8 | 118.9° | 120.1° |
| C9 | C8 | C13 | 123.4° | 120.3° |
| C9 | C8 | C7 | 117.4° | 119.8° |
| C8 | C9 | H7 | 107.3° | 119.9° |
| C1 | C2 | C3 | 111.4° | 113.6° |
| C1 | C2 | N6 | 115.6° | 112.9° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C13 | C8 | C7 | 119.2° | 119.9° |
| C8 | C13 | H8 | 119.0° | 120.1° |
| C3 | C2 | N6 | 111.6° | 113.7° |
| C2 | C3 | H9 | 114.0° | 113.6° |
| C2 | C3 | H10 | 113.9° | 113.7° |
| C2 | N6 | C7 | 113.8° | 111.0° |
| C2 | N6 | H32 | 108.4° | 111.0° |
| C8 | C7 | N6 | 112.1° | 109.5° |
| C8 | C7 | H5 | 108.8° | 109.5° |
| C8 | C7 | H6 | 108.8° | 109.6° |
| C33 | N34 | N35 | 106.3° | 109.6° |
| N34 | C33 | H28 | 125.3° | 126.3° |
| N6 | C7 | H5 | 108.8° | 109.4° |
| N6 | C7 | H6 | 108.8° | 109.5° |
| C7 | N6 | H32 | 108.4° | 111.0° |
| H1 | C4 | H2 | 109.5° | 112.8° |
| H3 | C5 | H4 | 109.5° | 112.9° |
| H5 | C7 | H6 | 109.5° | 109.4° |
| H9 | C3 | H10 | 109.5° | 112.9° |
| H11 | C1 | H12 | 109.4° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.5° | 110.1° |
| H20 | C25 | H21 | 109.5° | 112.8° |
| H23 | C28 | H24 | 109.5° | 112.9° |
| H25 | C30 | H26 | 109.5° | 109.5° |
| H25 | C30 | H27 | 109.4° | 109.5° |
| H26 | C30 | H27 | 109.5° | 109.5° |
| H29 | C36 | H30 | 109.5° | 109.5° |
| H29 | C36 | H31 | 109.5° | 109.4° |
| H30 | C36 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H18 | 180.0° | 179.8° |
| C22 | C21 | C20 | H17 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.1° | 0.6° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C22 | C21 | C20 | C24 | 179.6° | 180.0° |
| C21 | C22 | C23 | H19 | 179.9° | 179.9° |
| C23 | C22 | C21 | C20 | 0.1° | 0.3° |
| C22 | C23 | C18 | H19 | 180.0° | 179.4° |
| C22 | C23 | C18 | C19 | 0.2° | 0.6° |
| C22 | C23 | C18 | N16 | 179.7° | 179.7° |
| C23 | C22 | C21 | H17 | 179.9° | 179.7° |
| C21 | C20 | C19 | C24 | 179.4° | 180.0° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C21 | C20 | C24 | C25 | 13.8° | 22.7° |
| C21 | C20 | C24 | C28 | 122.1° | 120.2° |
| C21 | C20 | C24 | C31 | 121.0° | 108.6° |
| C21 | C20 | C19 | H16 | 179.7° | 180.0° |
| C20 | C21 | C22 | H18 | 179.9° | 179.9° |
| C23 | C18 | C19 | C20 | 0.3° | 0.3° |
| C23 | C18 | C19 | N16 | 179.5° | 179.7° |
| C23 | C18 | N16 | C17 | 32.7° | 4.6° |
| C23 | C18 | N16 | C14 | 147.0° | 175.6° |
| C23 | C18 | C19 | H16 | 179.7° | 179.7° |
| C18 | C23 | C22 | H18 | 179.9° | 179.6° |
| F39 | C37 | C10 | C11 | 50.6° | 60.0° |
| F39 | C37 | F40 | F38 | 122.0° | 120.1° |
| F39 | C37 | F40 | C10 | 116.1° | 120.0° |
| F39 | C37 | F38 | C10 | 118.8° | 119.9° |
| F39 | C37 | C10 | C9 | 129.2° | 120.0° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | N16 | 179.8° | 179.9° |
| C19 | C20 | C24 | C25 | 166.8° | 157.3° |
| C19 | C20 | C24 | C28 | 58.5° | 59.8° |
| C19 | C20 | C24 | C31 | 58.4° | 71.3° |
| C19 | C20 | C21 | H17 | 179.8° | 180.0° |
| C24 | C20 | C19 | C18 | 179.7° | 180.0° |
| C20 | C24 | C25 | C28 | 121.5° | 114.5° |
| C20 | C24 | C25 | C31 | 134.4° | 130.9° |
| C20 | C24 | C25 | C26 | 129.2° | 89.1° |
| C20 | C24 | C28 | C31 | 120.6° | 130.8° |
| C20 | C24 | C28 | C26 | 135.4° | 89.1° |
| C20 | C24 | C31 | N32 | 62.1° | 66.7° |
| C20 | C24 | C31 | N35 | 117.7° | 113.6° |
| C24 | C20 | C19 | H16 | 0.3° | 0.1° |
| C24 | C20 | C21 | H17 | 0.4° | 0.0° |
| C20 | C24 | C25 | H20 | 114.3° | 156.3° |
| C20 | C24 | C25 | H21 | 12.6° | 25.5° |
| C20 | C24 | C28 | H23 | 18.9° | 25.4° |
| C20 | C24 | C28 | H24 | 108.1° | 156.3° |
| C30 | O29 | C26 | C25 | 164.5° | 150.0° |
| C30 | O29 | C26 | C28 | 96.4° | 112.5° |
| C30 | O29 | C26 | H22 | 34.0° | 18.7° |
| O29 | C30 | H25 | H26 | 120.0° | 120.0° |
| O29 | C30 | H25 | H27 | 120.0° | 120.0° |
| O29 | C30 | H26 | H27 | 120.0° | 120.0° |
| O29 | C26 | C25 | C24 | 121.6° | 89.1° |
| O29 | C26 | C25 | C28 | 113.9° | 114.5° |
| O29 | C26 | C25 | H22 | 132.1° | 131.0° |
| O29 | C26 | C28 | C24 | 121.7° | 89.1° |
| O29 | C26 | C28 | H22 | 131.9° | 130.9° |
| O29 | C26 | C25 | H20 | 121.8° | 156.3° |
| O29 | C26 | C25 | H21 | 5.0° | 25.5° |
| O29 | C26 | C28 | H23 | 5.2° | 25.4° |
| O29 | C26 | C28 | H24 | 121.7° | 156.3° |
| C26 | O29 | C30 | H25 | 180.0° | 180.0° |
| C26 | O29 | C30 | H26 | 60.0° | 60.0° |
| C26 | O29 | C30 | H27 | 60.0° | 60.0° |
| C19 | C18 | N16 | C17 | 146.8° | 175.6° |
| C19 | C18 | N16 | C14 | 33.5° | 4.1° |
| C19 | C18 | C23 | H19 | 179.8° | 180.0° |
| C18 | N16 | C17 | C14 | 179.8° | 179.8° |
| C18 | N16 | C17 | C11 | 179.9° | 180.0° |
| C18 | N16 | C14 | C12 | 179.8° | 179.8° |
| C18 | N16 | C14 | O15 | 0.0° | 0.0° |
| C18 | N16 | C17 | H14 | 60.0° | 60.7° |
| C18 | N16 | C17 | H15 | 60.3° | 60.9° |
| N16 | C18 | C19 | H16 | 0.2° | 0.0° |
| N16 | C18 | C23 | H19 | 0.3° | 0.3° |
| C24 | C25 | C26 | H20 | 116.6° | 114.6° |
| C24 | C25 | C26 | H21 | 116.6° | 114.6° |
| C25 | C24 | C28 | C31 | 111.7° | 114.7° |
| C24 | C25 | C26 | C28 | 7.7° | 25.5° |
| C25 | C24 | C31 | N32 | 78.6° | 64.6° |
| C25 | C24 | C31 | N35 | 101.6° | 115.0° |
| C24 | C25 | H20 | H21 | 129.2° | 131.2° |
| C24 | C25 | C26 | H22 | 106.3° | 139.9° |
| C25 | C24 | C28 | H23 | 108.8° | 140.0° |
| C25 | C24 | C28 | H24 | 124.2° | 89.1° |
| C26 | C25 | C24 | C31 | 96.4° | 140.0° |
| C25 | C26 | C28 | H22 | 114.0° | 114.6° |
| C26 | C25 | H20 | H21 | 129.1° | 131.2° |
| C25 | C26 | C28 | H23 | 108.9° | 139.9° |
| C25 | C26 | C28 | H24 | 124.2° | 89.1° |
| N16 | C17 | C11 | H14 | 119.9° | 119.3° |
| N16 | C17 | C11 | H15 | 119.9° | 119.1° |
| N16 | C17 | C11 | C10 | 179.9° | 180.0° |
| N16 | C17 | C11 | C12 | 0.1° | 0.3° |
| C17 | N16 | C14 | C12 | 0.1° | 0.0° |
| C17 | N16 | C14 | O15 | 179.8° | 179.8° |
| N16 | C17 | H14 | H15 | 120.4° | 121.6° |
| C11 | C17 | N16 | C14 | 0.1° | 0.2° |
| C17 | C11 | C10 | C12 | 180.0° | 179.6° |
| C17 | C11 | C10 | C37 | 0.1° | 0.4° |
| C17 | C11 | C12 | C14 | 0.0° | 0.3° |
| C17 | C11 | C10 | C9 | 179.9° | 179.6° |
| C17 | C11 | C12 | C13 | 179.9° | 179.6° |
| C11 | C17 | H14 | H15 | 120.3° | 121.6° |
| N16 | C14 | C12 | C11 | 0.0° | 0.2° |
| N16 | C14 | C12 | O15 | 179.9° | 179.7° |
| N16 | C14 | C12 | C13 | 179.8° | 179.7° |
| C14 | N16 | C17 | H14 | 119.8° | 119.4° |
| C14 | N16 | C17 | H15 | 120.0° | 118.9° |
| C24 | C28 | C26 | H23 | 116.6° | 114.5° |
| C24 | C28 | C26 | H24 | 116.5° | 114.6° |
| C28 | C24 | C31 | N32 | 173.2° | 162.1° |
| C28 | C24 | C31 | N35 | 6.9° | 17.5° |
| C28 | C24 | C25 | H20 | 124.3° | 89.1° |
| C28 | C24 | C25 | H21 | 108.9° | 140.0° |
| C24 | C28 | C26 | H22 | 106.3° | 140.0° |
| C24 | C28 | H23 | H24 | 129.3° | 131.2° |
| C24 | C31 | N32 | C36 | 0.3° | 0.1° |
| C31 | C24 | C28 | C26 | 104.0° | 140.1° |
| C24 | C31 | N32 | N35 | 179.9° | 179.7° |
| C24 | C31 | N32 | C33 | 179.7° | 180.0° |
| C24 | C31 | N35 | N34 | 179.8° | 179.9° |
| C31 | C24 | C25 | H20 | 20.1° | 25.4° |
| C31 | C24 | C25 | H21 | 147.0° | 105.4° |
| C31 | C24 | C28 | H23 | 139.4° | 105.3° |
| C31 | C24 | C28 | H24 | 12.5° | 25.5° |
| C36 | N32 | C31 | C33 | 180.0° | 179.9° |
| C36 | N32 | C31 | N35 | 179.9° | 179.8° |
| C36 | N32 | C33 | N34 | 179.9° | 179.9° |
| C36 | N32 | C33 | H28 | 0.1° | 0.0° |
| N32 | C36 | H29 | H30 | 120.0° | 120.0° |
| N32 | C36 | H29 | H31 | 120.0° | 120.0° |
| N32 | C36 | H30 | H31 | 120.0° | 120.0° |
| C28 | C26 | C25 | H20 | 124.3° | 89.2° |
| C28 | C26 | C25 | H21 | 108.9° | 140.0° |
| C26 | C28 | H23 | H24 | 129.2° | 131.3° |
| C11 | C10 | C37 | F40 | 66.9° | 180.0° |
| C11 | C10 | C37 | F38 | 171.5° | 60.0° |
| C11 | C10 | C37 | C9 | 179.8° | 179.9° |
| C10 | C11 | C12 | C14 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.1° | 0.1° |
| C11 | C10 | C9 | C8 | 0.2° | 0.1° |
| C11 | C10 | C9 | H7 | 179.8° | 180.0° |
| C10 | C11 | C17 | H14 | 60.2° | 60.7° |
| C10 | C11 | C17 | H15 | 60.0° | 60.9° |
| C12 | C11 | C10 | C37 | 179.9° | 180.0° |
| C11 | C12 | C14 | C13 | 179.8° | 180.0° |
| C11 | C12 | C14 | O15 | 179.8° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | C12 | C13 | C8 | 0.4° | 0.1° |
| C11 | C12 | C13 | H8 | 179.6° | 180.0° |
| C12 | C11 | C17 | H14 | 119.8° | 119.6° |
| C12 | C11 | C17 | H15 | 120.0° | 118.8° |
| F40 | C37 | F38 | C10 | 120.1° | 120.0° |
| F40 | C37 | C10 | C9 | 113.3° | 0.0° |
| F38 | C37 | C10 | C9 | 8.2° | 120.0° |
| C37 | C10 | C9 | C8 | 179.9° | 180.0° |
| C37 | C10 | C9 | H7 | 0.0° | 0.0° |
| C14 | C12 | C13 | C8 | 179.8° | 179.9° |
| C14 | C12 | C13 | H8 | 0.2° | 0.0° |
| O15 | C14 | C12 | C13 | 0.3° | 0.0° |
| C10 | C9 | C8 | H7 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.2° | 0.1° |
| C10 | C9 | C8 | C7 | 179.8° | 180.0° |
| C4 | C5 | C2 | H3 | 116.7° | 114.6° |
| C4 | C5 | C2 | H4 | 116.6° | 114.5° |
| C5 | C4 | C3 | H1 | 116.4° | 114.6° |
| C5 | C4 | C3 | H2 | 116.5° | 114.6° |
| C4 | C5 | C2 | C1 | 109.0° | 140.0° |
| C4 | C5 | C2 | C3 | 4.0° | 25.5° |
| C4 | C5 | C2 | N6 | 117.3° | 89.2° |
| C5 | C4 | H1 | H2 | 129.5° | 131.3° |
| C4 | C5 | H3 | H4 | 129.0° | 131.2° |
| C5 | C4 | C3 | H9 | 112.7° | 139.9° |
| C5 | C4 | C3 | H10 | 120.6° | 89.1° |
| C5 | C2 | C1 | C3 | 98.4° | 97.5° |
| C5 | C2 | C1 | N6 | 132.8° | 131.2° |
| C5 | C2 | C3 | N6 | 115.3° | 114.6° |
| C5 | C2 | N6 | C7 | 98.3° | 180.0° |
| C2 | C5 | C4 | H1 | 120.4° | 89.1° |
| C2 | C5 | C4 | H2 | 112.5° | 140.0° |
| C2 | C5 | H3 | H4 | 129.0° | 131.2° |
| C5 | C2 | C3 | H9 | 112.7° | 140.0° |
| C5 | C2 | C3 | H10 | 120.6° | 89.1° |
| C5 | C2 | C1 | H11 | 180.0° | 60.1° |
| C5 | C2 | C1 | H12 | 60.0° | 180.0° |
| C5 | C2 | C1 | H13 | 60.0° | 60.0° |
| C5 | C2 | N6 | H32 | 22.4° | 56.1° |
| C31 | N32 | C33 | N34 | 0.1° | 0.2° |
| N32 | C31 | N35 | N34 | 0.1° | 0.3° |
| C31 | N32 | C33 | H28 | 179.9° | 179.9° |
| C31 | N32 | C36 | H29 | 180.0° | 83.8° |
| C31 | N32 | C36 | H30 | 60.0° | 156.2° |
| C31 | N32 | C36 | H31 | 60.0° | 36.1° |
| C33 | N32 | C31 | N35 | 0.1° | 0.3° |
| N32 | C33 | N34 | H28 | 180.0° | 179.9° |
| N32 | C33 | N34 | N35 | 0.1° | 0.0° |
| C33 | N32 | C36 | H29 | 0.0° | 96.2° |
| C33 | N32 | C36 | H30 | 120.0° | 23.8° |
| C33 | N32 | C36 | H31 | 120.0° | 143.8° |
| C31 | N35 | N34 | C33 | 0.0° | 0.1° |
| C4 | C3 | C2 | C1 | 109.9° | 140.0° |
| C4 | C3 | C2 | H9 | 116.7° | 114.5° |
| C4 | C3 | C2 | H10 | 116.7° | 114.6° |
| C4 | C3 | C2 | N6 | 119.2° | 89.1° |
| C3 | C4 | H1 | H2 | 129.5° | 131.1° |
| C3 | C4 | C5 | H3 | 120.6° | 89.1° |
| C3 | C4 | C5 | H4 | 112.7° | 140.0° |
| C4 | C3 | H9 | H10 | 129.0° | 131.3° |
| C12 | C13 | C8 | C9 | 0.5° | 0.1° |
| C12 | C13 | C8 | H8 | 180.0° | 179.9° |
| C12 | C13 | C8 | C7 | 179.5° | 180.0° |
| C9 | C8 | C13 | C7 | 180.0° | 179.9° |
| C9 | C8 | C7 | N6 | 135.0° | 90.0° |
| C9 | C8 | C7 | H5 | 14.6° | 150.0° |
| C9 | C8 | C7 | H6 | 104.6° | 30.0° |
| C9 | C8 | C13 | H8 | 179.6° | 180.0° |
| C1 | C2 | C3 | N6 | 130.9° | 130.9° |
| C1 | C2 | N6 | C7 | 33.9° | 48.8° |
| C1 | C2 | C5 | H3 | 7.7° | 25.4° |
| C1 | C2 | C5 | H4 | 134.4° | 105.5° |
| C1 | C2 | C3 | H9 | 133.4° | 105.5° |
| C1 | C2 | C3 | H10 | 6.8° | 25.4° |
| C2 | C1 | H11 | H12 | 120.0° | 119.9° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | N6 | H32 | 154.5° | 75.1° |
| C13 | C8 | C7 | N6 | 45.0° | 90.1° |
| C13 | C8 | C7 | H5 | 165.4° | 29.9° |
| C13 | C8 | C7 | H6 | 75.5° | 149.9° |
| C13 | C8 | C9 | H7 | 179.9° | 179.9° |
| C3 | C2 | N6 | C7 | 162.6° | 82.4° |
| C2 | C3 | C4 | H1 | 120.4° | 89.1° |
| C2 | C3 | C4 | H2 | 112.5° | 140.1° |
| C3 | C2 | C5 | H3 | 120.6° | 89.1° |
| C3 | C2 | C5 | H4 | 112.7° | 140.0° |
| C2 | C3 | H9 | H10 | 128.9° | 131.3° |
| C3 | C2 | C1 | H11 | 81.6° | 157.5° |
| C3 | C2 | C1 | H12 | 38.4° | 82.5° |
| C3 | C2 | C1 | H13 | 158.4° | 37.5° |
| C3 | C2 | N6 | H32 | 76.7° | 153.6° |
| C2 | N6 | C7 | C8 | 78.8° | 180.0° |
| C2 | N6 | C7 | H32 | 120.6° | 124.0° |
| N6 | C2 | C5 | H3 | 126.0° | 156.2° |
| N6 | C2 | C5 | H4 | 0.7° | 25.4° |
| C2 | N6 | C7 | H5 | 41.7° | 60.0° |
| C2 | N6 | C7 | H6 | 160.8° | 59.9° |
| N6 | C2 | C3 | H9 | 2.5° | 25.4° |
| N6 | C2 | C3 | H10 | 124.1° | 156.3° |
| N6 | C2 | C1 | H11 | 47.2° | 71.2° |
| N6 | C2 | C1 | H12 | 167.2° | 48.8° |
| N6 | C2 | C1 | H13 | 72.8° | 168.8° |
| C8 | C7 | N6 | H5 | 120.4° | 120.0° |
| C8 | C7 | N6 | H6 | 120.4° | 120.1° |
| C8 | C7 | H5 | H6 | 118.8° | 120.1° |
| C7 | C8 | C9 | H7 | 0.2° | 0.0° |
| C7 | C8 | C13 | H8 | 0.5° | 0.1° |
| C8 | C7 | N6 | H32 | 41.9° | 56.0° |
| N35 | N34 | C33 | H28 | 179.9° | 179.9° |
| N6 | C7 | H5 | H6 | 118.8° | 119.9° |
| H1 | C4 | C5 | H3 | 122.9° | 156.3° |
| H1 | C4 | C5 | H4 | 3.7° | 25.4° |
| H1 | C4 | C3 | H9 | 3.7° | 25.3° |
| H1 | C4 | C3 | H10 | 123.0° | 156.3° |
| H2 | C4 | C5 | H3 | 4.2° | 25.4° |
| H2 | C4 | C5 | H4 | 130.8° | 105.5° |
| H2 | C4 | C3 | H9 | 130.8° | 105.4° |
| H2 | C4 | C3 | H10 | 4.1° | 25.5° |
| H5 | C7 | N6 | H32 | 162.3° | 64.0° |
| H6 | C7 | N6 | H32 | 78.5° | 176.1° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H17 | C21 | C22 | H18 | 0.1° | 0.1° |
| H18 | C22 | C23 | H19 | 0.1° | 0.2° |
| H20 | C25 | C26 | H22 | 10.3° | 25.3° |
| H21 | C25 | C26 | H22 | 137.1° | 105.5° |
| H22 | C26 | C28 | H23 | 137.1° | 105.5° |
| H22 | C26 | C28 | H24 | 10.2° | 25.4° |
| H25 | C30 | H26 | H27 | 120.0° | 120.1° |
| H29 | C36 | H30 | H31 | 120.0° | 120.0° |
