A1CQT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N5 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C19 | N5 | sing | 1.47Å | 1.51Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C9 | N5 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | N4 | sing | 1.47Å | 1.45Å | |
| C21 | O2 | doub | 1.21Å | 1.23Å | |
| C21 | N6 | sing | 1.35Å | 1.33Å | |
| C25 | N6 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | sing | 1.54Å | 1.49Å | |
| N6 | C22 | sing | 1.47Å | 1.47Å | |
| N4 | C7 | sing | 1.35Å | 1.34Å | |
| C24 | C23 | sing | 1.55Å | 1.51Å | |
| O1 | C7 | doub | 1.22Å | 1.27Å | |
| C7 | C6 | sing | 1.48Å | 1.51Å | |
| C22 | C23 | sing | 1.55Å | 1.48Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| CL1 | C26 | sing | 1.74Å | 1.74Å | |
| C5 | N3 | sing | 1.31Å | 1.32Å | Aromatic |
| C26 | C27 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C27 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C27 | C2 | sing | 1.46Å | 1.44Å | Aromatic |
| C4 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | N1 | doub | 1.30Å | 1.40Å | Aromatic |
| N2 | N1 | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C3 | sing | 1.47Å | 1.46Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.7° | 120.0° |
| C14 | C15 | H20 | 120.0° | 120.0° |
| C15 | C14 | H19 | 119.7° | 120.1° |
| C15 | C16 | C17 | 121.0° | 120.0° |
| C16 | C15 | H20 | 120.0° | 120.0° |
| C15 | C16 | H21 | 119.5° | 120.0° |
| C14 | C13 | C12 | 119.1° | 120.0° |
| C14 | C13 | C18 | 118.3° | 120.0° |
| C13 | C14 | H19 | 119.6° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C17 | C16 | H21 | 119.5° | 120.0° |
| C16 | C17 | H22 | 119.9° | 120.0° |
| C12 | C13 | C18 | 122.5° | 120.0° |
| C13 | C12 | C11 | 113.5° | 109.5° |
| C13 | C12 | H18 | 108.5° | 109.4° |
| C13 | C12 | H17 | 108.5° | 109.5° |
| C13 | C18 | C17 | 119.6° | 120.0° |
| C13 | C18 | H23 | 120.2° | 120.0° |
| C12 | C11 | C10 | 108.7° | 109.5° |
| C12 | C11 | H16 | 109.6° | 109.5° |
| C12 | C11 | H15 | 109.6° | 109.5° |
| C11 | C12 | H18 | 108.5° | 109.5° |
| C11 | C12 | H17 | 108.4° | 109.5° |
| C11 | C10 | N5 | 118.1° | 109.5° |
| C11 | C10 | H14 | 107.3° | 109.5° |
| C11 | C10 | H13 | 107.3° | 109.5° |
| C10 | C11 | H16 | 109.7° | 109.4° |
| C10 | C11 | H15 | 109.7° | 109.4° |
| C18 | C17 | H22 | 119.9° | 120.0° |
| C17 | C18 | H23 | 120.2° | 120.0° |
| C10 | N5 | C19 | 117.2° | 111.0° |
| C10 | N5 | C9 | 118.9° | 111.0° |
| N5 | C10 | H14 | 107.3° | 109.4° |
| N5 | C10 | H13 | 107.3° | 109.5° |
| C20 | C19 | N5 | 118.1° | 109.4° |
| C19 | C20 | C21 | 109.8° | 109.4° |
| C20 | C19 | H25 | 107.3° | 109.4° |
| C20 | C19 | H24 | 107.3° | 109.5° |
| C19 | C20 | H26 | 109.4° | 109.5° |
| C19 | C20 | H27 | 109.4° | 109.5° |
| C19 | N5 | C9 | 104.1° | 111.0° |
| N5 | C19 | H25 | 107.3° | 109.5° |
| N5 | C19 | H24 | 107.3° | 109.5° |
| C20 | C21 | O2 | 120.2° | 120.0° |
| C20 | C21 | N6 | 118.7° | 120.0° |
| C21 | C20 | H26 | 109.4° | 109.5° |
| C21 | C20 | H27 | 109.4° | 109.5° |
| N5 | C9 | C8 | 110.1° | 109.5° |
| N5 | C9 | H12 | 109.3° | 109.4° |
| N5 | C9 | H11 | 109.3° | 109.5° |
| C9 | C8 | N4 | 107.1° | 109.5° |
| C9 | C8 | H10 | 110.1° | 109.5° |
| C9 | C8 | H9 | 110.0° | 109.5° |
| C8 | C9 | H12 | 109.3° | 109.5° |
| C8 | C9 | H11 | 109.3° | 109.5° |
| C8 | N4 | C7 | 125.7° | 120.0° |
| C8 | N4 | H8 | 117.1° | 120.0° |
| N4 | C8 | H10 | 110.1° | 109.5° |
| N4 | C8 | H9 | 110.1° | 109.4° |
| O2 | C21 | N6 | 121.0° | 120.0° |
| C21 | N6 | C25 | 126.2° | 125.6° |
| C21 | N6 | C22 | 123.4° | 125.6° |
| N6 | C25 | C24 | 105.0° | 107.3° |
| C25 | N6 | C22 | 109.6° | 108.7° |
| N6 | C25 | H35 | 110.6° | 109.9° |
| N6 | C25 | H34 | 110.6° | 109.9° |
| C25 | C24 | C23 | 102.0° | 103.0° |
| C25 | C24 | H33 | 111.3° | 110.8° |
| C25 | C24 | H32 | 111.3° | 110.8° |
| C24 | C25 | H35 | 110.6° | 109.8° |
| C24 | C25 | H34 | 110.6° | 109.9° |
| N6 | C22 | C23 | 104.3° | 104.8° |
| N6 | C22 | H28 | 110.7° | 110.4° |
| N6 | C22 | H29 | 110.7° | 110.4° |
| N4 | C7 | O1 | 124.9° | 120.0° |
| N4 | C7 | C6 | 112.9° | 120.0° |
| C7 | N4 | H8 | 117.2° | 120.0° |
| C24 | C23 | C22 | 104.8° | 101.6° |
| C23 | C24 | H33 | 111.3° | 110.7° |
| C23 | C24 | H32 | 111.3° | 110.7° |
| C24 | C23 | H31 | 110.6° | 111.0° |
| C24 | C23 | H30 | 110.6° | 111.0° |
| O1 | C7 | C6 | 122.1° | 120.0° |
| C7 | C6 | C5 | 118.7° | 120.4° |
| C7 | C6 | C26 | 122.1° | 120.5° |
| C23 | C22 | H28 | 110.7° | 110.4° |
| C23 | C22 | H29 | 110.7° | 110.3° |
| C22 | C23 | H31 | 110.6° | 111.0° |
| C22 | C23 | H30 | 110.6° | 111.0° |
| C5 | C6 | C26 | 119.1° | 119.2° |
| C6 | C5 | N3 | 122.9° | 121.4° |
| C6 | C5 | H7 | 118.5° | 119.3° |
| C6 | C26 | CL1 | 118.3° | 121.0° |
| C6 | C26 | C27 | 120.4° | 117.9° |
| CL1 | C26 | C27 | 121.0° | 121.0° |
| C5 | N3 | C4 | 116.9° | 121.9° |
| N3 | C5 | H7 | 118.6° | 119.3° |
| C26 | C27 | C4 | 115.3° | 119.4° |
| C26 | C27 | C2 | 139.1° | 134.1° |
| N3 | C4 | C27 | 124.9° | 120.2° |
| N3 | C4 | N2 | 127.6° | 133.3° |
| C4 | C27 | C2 | 105.4° | 106.5° |
| C27 | C4 | N2 | 107.4° | 106.5° |
| C27 | C2 | C1 | 130.5° | 126.2° |
| C27 | C2 | N1 | 108.2° | 107.6° |
| C4 | N2 | N1 | 111.4° | 109.3° |
| C4 | N2 | C3 | 129.4° | 125.3° |
| C1 | C2 | N1 | 121.2° | 126.2° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | N1 | N2 | 107.4° | 110.1° |
| N1 | N2 | C3 | 119.1° | 125.4° |
| N2 | C3 | H4 | 109.5° | 109.5° |
| N2 | C3 | H5 | 109.5° | 109.5° |
| N2 | C3 | H6 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.4° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.5° | 110.4° |
| H33 | C24 | H32 | 109.5° | 110.6° |
| H10 | C8 | H9 | 109.5° | 109.4° |
| H12 | C9 | H11 | 109.5° | 109.5° |
| H14 | C10 | H13 | 109.5° | 109.5° |
| H16 | C11 | H15 | 109.5° | 109.5° |
| H18 | C12 | H17 | 109.5° | 109.4° |
| H25 | C19 | H24 | 109.5° | 109.5° |
| H26 | C20 | H27 | 109.5° | 109.4° |
| H31 | C23 | H30 | 109.5° | 110.9° |
| H35 | C25 | H34 | 109.4° | 110.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H20 | 180.0° | 179.8° |
| C15 | C14 | C13 | H19 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 2.5° | 0.2° |
| C15 | C14 | C13 | C12 | 178.4° | 180.0° |
| C15 | C14 | C13 | C18 | 2.0° | 0.0° |
| C14 | C15 | C16 | H21 | 177.5° | 179.9° |
| C16 | C15 | C14 | C13 | 1.6° | 0.0° |
| C15 | C16 | C17 | H21 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.3° | 0.2° |
| C16 | C15 | C14 | H19 | 178.4° | 179.9° |
| C15 | C16 | C17 | H22 | 179.7° | 180.0° |
| C14 | C13 | C12 | C18 | 179.6° | 180.0° |
| C14 | C13 | C12 | C11 | 68.3° | 90.0° |
| C14 | C13 | C18 | C17 | 4.7° | 0.0° |
| C13 | C14 | C15 | H20 | 178.4° | 179.8° |
| C14 | C13 | C12 | H18 | 52.3° | 149.9° |
| C14 | C13 | C12 | H17 | 171.1° | 30.0° |
| C14 | C13 | C18 | H23 | 175.3° | 180.0° |
| C16 | C17 | C18 | C13 | 3.9° | 0.1° |
| C16 | C17 | C18 | H22 | 180.0° | 179.8° |
| C17 | C16 | C15 | H20 | 177.5° | 179.7° |
| C16 | C17 | C18 | H23 | 176.1° | 179.9° |
| C13 | C12 | C11 | H18 | 120.6° | 120.0° |
| C13 | C12 | C11 | H17 | 120.6° | 120.0° |
| C13 | C12 | C11 | C10 | 74.5° | 180.0° |
| C12 | C13 | C18 | C17 | 175.7° | 180.0° |
| C13 | C12 | C11 | H16 | 45.4° | 60.0° |
| C13 | C12 | C11 | H15 | 165.6° | 60.0° |
| C13 | C12 | H18 | H17 | 118.2° | 120.0° |
| C12 | C13 | C14 | H19 | 1.6° | 0.0° |
| C12 | C13 | C18 | H23 | 4.3° | 0.0° |
| C18 | C13 | C12 | C11 | 111.3° | 90.0° |
| C13 | C18 | C17 | H23 | 180.0° | 180.0° |
| C18 | C13 | C12 | H18 | 128.1° | 30.0° |
| C18 | C13 | C12 | H17 | 9.3° | 150.0° |
| C18 | C13 | C14 | H19 | 178.0° | 180.0° |
| C13 | C18 | C17 | H22 | 176.1° | 179.9° |
| C12 | C11 | C10 | H16 | 119.9° | 120.0° |
| C12 | C11 | C10 | H15 | 119.9° | 120.0° |
| C12 | C11 | C10 | N5 | 173.4° | 175.0° |
| C12 | C11 | C10 | H14 | 52.1° | 65.0° |
| C12 | C11 | C10 | H13 | 65.4° | 55.0° |
| C12 | C11 | H16 | H15 | 120.3° | 120.1° |
| C11 | C12 | H18 | H17 | 118.1° | 120.0° |
| C11 | C10 | N5 | H14 | 121.3° | 120.0° |
| C11 | C10 | N5 | H13 | 121.2° | 120.1° |
| C11 | C10 | N5 | C19 | 72.4° | 160.3° |
| C11 | C10 | N5 | C9 | 54.1° | 75.8° |
| C11 | C10 | H14 | H13 | 116.1° | 120.1° |
| C10 | C11 | H16 | H15 | 120.4° | 119.9° |
| C10 | C11 | C12 | H18 | 164.8° | 60.0° |
| C10 | C11 | C12 | H17 | 46.1° | 60.0° |
| C18 | C17 | C16 | H21 | 179.7° | 180.0° |
| C10 | N5 | C19 | C20 | 47.4° | 72.0° |
| C10 | N5 | C19 | C9 | 133.5° | 123.9° |
| C10 | N5 | C9 | C8 | 63.2° | 170.0° |
| C10 | N5 | C9 | H12 | 176.7° | 50.0° |
| C10 | N5 | C9 | H11 | 56.9° | 70.0° |
| N5 | C10 | H14 | H13 | 116.1° | 119.9° |
| N5 | C10 | C11 | H16 | 66.7° | 55.0° |
| N5 | C10 | C11 | H15 | 53.5° | 64.9° |
| C10 | N5 | C19 | H25 | 168.6° | 47.9° |
| C10 | N5 | C19 | H24 | 73.8° | 168.0° |
| C20 | C19 | N5 | H25 | 121.2° | 120.0° |
| C20 | C19 | N5 | H24 | 121.2° | 120.0° |
| C19 | C20 | C21 | H26 | 120.0° | 120.0° |
| C19 | C20 | C21 | H27 | 120.0° | 120.0° |
| C20 | C19 | N5 | C9 | 179.1° | 164.0° |
| C19 | C20 | C21 | O2 | 88.5° | 0.0° |
| C19 | C20 | C21 | N6 | 95.6° | 180.0° |
| C20 | C19 | H25 | H24 | 116.1° | 120.0° |
| C19 | C20 | H26 | H27 | 119.9° | 120.0° |
| N5 | C19 | C20 | C21 | 62.5° | 179.4° |
| C19 | N5 | C9 | C8 | 164.2° | 66.0° |
| C19 | N5 | C9 | H12 | 44.1° | 174.0° |
| C19 | N5 | C9 | H11 | 75.7° | 54.0° |
| C19 | N5 | C10 | H14 | 166.3° | 79.7° |
| C19 | N5 | C10 | H13 | 48.8° | 40.3° |
| N5 | C19 | H25 | H24 | 116.1° | 120.0° |
| N5 | C19 | C20 | H26 | 57.6° | 60.6° |
| N5 | C19 | C20 | H27 | 177.5° | 59.4° |
| C20 | C21 | O2 | N6 | 175.8° | 180.0° |
| C20 | C21 | N6 | C25 | 2.5° | 0.0° |
| C20 | C21 | N6 | C22 | 171.6° | 180.0° |
| C21 | C20 | C19 | H25 | 58.7° | 59.4° |
| C21 | C20 | C19 | H24 | 176.3° | 60.6° |
| C21 | C20 | H26 | H27 | 119.9° | 120.0° |
| N5 | C9 | C8 | H12 | 120.1° | 119.9° |
| N5 | C9 | C8 | H11 | 120.1° | 120.0° |
| N5 | C9 | C8 | N4 | 75.7° | 179.9° |
| N5 | C9 | C8 | H10 | 164.6° | 60.0° |
| N5 | C9 | C8 | H9 | 43.9° | 60.0° |
| N5 | C9 | H12 | H11 | 119.7° | 120.0° |
| C9 | N5 | C10 | H14 | 67.2° | 44.2° |
| C9 | N5 | C10 | H13 | 175.3° | 164.2° |
| C9 | N5 | C19 | H25 | 57.8° | 76.0° |
| C9 | N5 | C19 | H24 | 59.7° | 44.0° |
| C9 | C8 | N4 | H10 | 119.6° | 120.1° |
| C9 | C8 | N4 | H9 | 119.6° | 120.0° |
| C9 | C8 | N4 | C7 | 122.6° | 180.0° |
| C9 | C8 | N4 | H8 | 57.4° | 0.1° |
| C9 | C8 | H10 | H9 | 121.1° | 120.0° |
| C8 | C9 | H12 | H11 | 119.7° | 120.0° |
| C8 | N4 | C7 | H8 | 180.0° | 179.9° |
| C8 | N4 | C7 | O1 | 1.5° | 0.1° |
| C8 | N4 | C7 | C6 | 179.0° | 180.0° |
| N4 | C8 | H10 | H9 | 121.1° | 119.9° |
| N4 | C8 | C9 | H12 | 44.4° | 60.0° |
| N4 | C8 | C9 | H11 | 164.2° | 60.1° |
| O2 | C21 | N6 | C25 | 173.4° | 180.0° |
| O2 | C21 | N6 | C22 | 4.3° | 0.0° |
| O2 | C21 | C20 | H26 | 31.5° | 120.0° |
| O2 | C21 | C20 | H27 | 151.4° | 120.0° |
| C21 | N6 | C25 | C22 | 170.4° | 180.0° |
| C21 | N6 | C25 | C24 | 173.6° | 178.9° |
| C21 | N6 | C22 | C23 | 162.8° | 155.9° |
| C21 | N6 | C22 | H28 | 78.0° | 37.0° |
| C21 | N6 | C22 | H29 | 43.7° | 85.3° |
| N6 | C21 | C20 | H26 | 144.4° | 60.0° |
| N6 | C21 | C20 | H27 | 24.5° | 60.0° |
| C21 | N6 | C25 | H35 | 67.1° | 59.6° |
| C21 | N6 | C25 | H34 | 54.3° | 61.6° |
| N6 | C25 | C24 | H35 | 119.3° | 119.4° |
| N6 | C25 | C24 | H34 | 119.3° | 119.5° |
| N6 | C25 | C24 | C23 | 32.6° | 22.2° |
| C25 | N6 | C22 | C23 | 7.9° | 24.1° |
| C25 | N6 | C22 | H28 | 111.3° | 143.0° |
| C25 | N6 | C22 | H29 | 127.0° | 94.7° |
| N6 | C25 | C24 | H33 | 151.4° | 140.5° |
| N6 | C25 | C24 | H32 | 86.2° | 96.3° |
| N6 | C25 | H35 | H34 | 122.1° | 121.2° |
| C24 | C25 | N6 | C22 | 16.0° | 1.1° |
| C25 | C24 | C23 | H33 | 118.8° | 118.4° |
| C25 | C24 | C23 | H32 | 118.8° | 118.5° |
| C25 | C24 | C23 | C22 | 37.9° | 35.5° |
| C25 | C24 | H33 | H32 | 123.5° | 123.3° |
| C25 | C24 | C23 | H31 | 81.4° | 82.6° |
| C25 | C24 | C23 | H30 | 157.2° | 153.5° |
| C24 | C25 | H35 | H34 | 122.0° | 121.1° |
| N6 | C22 | C23 | C24 | 28.4° | 37.0° |
| N6 | C22 | C23 | H28 | 119.2° | 118.8° |
| N6 | C22 | C23 | H29 | 119.2° | 118.9° |
| N6 | C22 | H28 | H29 | 122.4° | 122.4° |
| N6 | C22 | C23 | H31 | 90.9° | 81.1° |
| N6 | C22 | C23 | H30 | 147.6° | 155.1° |
| C22 | N6 | C25 | H35 | 103.3° | 120.4° |
| C22 | N6 | C25 | H34 | 135.3° | 118.4° |
| N4 | C7 | O1 | C6 | 177.3° | 180.0° |
| N4 | C7 | C6 | C5 | 43.6° | 0.0° |
| N4 | C7 | C6 | C26 | 132.9° | 179.8° |
| C7 | N4 | C8 | H10 | 3.0° | 59.9° |
| C7 | N4 | C8 | H9 | 117.8° | 60.0° |
| C24 | C23 | C22 | H31 | 119.3° | 118.1° |
| C24 | C23 | C22 | H30 | 119.2° | 118.1° |
| C24 | C23 | C22 | H28 | 90.8° | 155.8° |
| C24 | C23 | C22 | H29 | 147.5° | 81.9° |
| C23 | C24 | H33 | H32 | 123.5° | 123.1° |
| C24 | C23 | H31 | H30 | 122.1° | 123.9° |
| C23 | C24 | C25 | H35 | 86.7° | 97.2° |
| C23 | C24 | C25 | H34 | 151.9° | 141.6° |
| O1 | C7 | C6 | C5 | 134.0° | 180.0° |
| O1 | C7 | C6 | C26 | 49.5° | 0.2° |
| O1 | C7 | N4 | H8 | 178.5° | 180.0° |
| C7 | C6 | C5 | C26 | 176.7° | 179.8° |
| C7 | C6 | C26 | CL1 | 3.0° | 0.2° |
| C7 | C6 | C5 | N3 | 175.7° | 180.0° |
| C7 | C6 | C26 | C27 | 176.8° | 180.0° |
| C7 | C6 | C5 | H7 | 4.3° | 0.0° |
| C6 | C7 | N4 | H8 | 1.0° | 0.0° |
| C23 | C22 | H28 | H29 | 122.4° | 122.2° |
| C22 | C23 | C24 | H33 | 156.7° | 153.9° |
| C22 | C23 | C24 | H32 | 80.9° | 83.0° |
| C22 | C23 | H31 | H30 | 122.2° | 123.9° |
| C5 | C6 | C26 | CL1 | 179.5° | 180.0° |
| C6 | C5 | N3 | H7 | 180.0° | 180.0° |
| C5 | C6 | C26 | C27 | 6.7° | 0.2° |
| C6 | C5 | N3 | C4 | 5.9° | 0.0° |
| C6 | C26 | CL1 | C27 | 173.7° | 179.8° |
| C26 | C6 | C5 | N3 | 7.6° | 0.2° |
| C6 | C26 | C27 | C4 | 4.5° | 0.0° |
| C6 | C26 | C27 | C2 | 178.3° | 179.5° |
| C26 | C6 | C5 | H7 | 172.4° | 179.8° |
| CL1 | C26 | C27 | C4 | 178.1° | 179.8° |
| CL1 | C26 | C27 | C2 | 8.1° | 0.3° |
| C5 | N3 | C4 | C27 | 3.8° | 0.2° |
| C5 | N3 | C4 | N2 | 178.8° | 180.0° |
| C26 | C27 | C4 | N3 | 3.1° | 0.2° |
| C26 | C27 | C4 | C2 | 175.8° | 179.6° |
| C26 | C27 | C4 | N2 | 179.1° | 180.0° |
| C26 | C27 | C2 | C1 | 4.9° | 0.3° |
| C26 | C27 | C2 | N1 | 177.5° | 179.9° |
| N3 | C4 | C27 | N2 | 177.9° | 179.8° |
| N3 | C4 | C27 | C2 | 178.9° | 179.8° |
| N3 | C4 | N2 | N1 | 179.9° | 180.0° |
| N3 | C4 | N2 | C3 | 3.2° | 0.2° |
| C4 | N3 | C5 | H7 | 174.1° | 180.0° |
| C4 | C27 | C2 | C1 | 179.1° | 179.9° |
| C4 | C27 | C2 | N1 | 3.2° | 0.3° |
| C27 | C4 | N2 | N1 | 2.2° | 0.2° |
| C27 | C4 | N2 | C3 | 174.6° | 179.9° |
| C2 | C27 | C4 | N2 | 3.3° | 0.3° |
| C27 | C2 | C1 | N1 | 177.4° | 179.8° |
| C27 | C2 | N1 | N2 | 2.0° | 0.2° |
| C27 | C2 | C1 | H1 | 177.4° | 90.3° |
| C27 | C2 | C1 | H2 | 62.6° | 29.7° |
| C27 | C2 | C1 | H3 | 57.4° | 149.7° |
| C4 | N2 | N1 | C2 | 0.1° | 0.0° |
| C4 | N2 | N1 | C3 | 177.1° | 179.8° |
| C4 | N2 | C3 | H4 | 176.6° | 90.0° |
| C4 | N2 | C3 | H5 | 56.5° | 150.0° |
| C4 | N2 | C3 | H6 | 63.5° | 30.0° |
| C1 | C2 | N1 | N2 | 179.9° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.1° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C2 | N1 | N2 | C3 | 177.0° | 179.8° |
| N1 | C2 | C1 | H1 | 0.0° | 90.0° |
| N1 | C2 | C1 | H2 | 120.0° | 150.0° |
| N1 | C2 | C1 | H3 | 120.0° | 30.1° |
| N1 | N2 | C3 | H4 | 0.0° | 89.8° |
| N1 | N2 | C3 | H5 | 120.0° | 30.2° |
| N1 | N2 | C3 | H6 | 120.0° | 150.2° |
| N2 | C3 | H4 | H5 | 120.0° | 120.0° |
| N2 | C3 | H4 | H6 | 120.0° | 120.0° |
| N2 | C3 | H5 | H6 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 119.9° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H20 | C15 | C14 | H19 | 1.6° | 0.3° |
| H20 | C15 | C16 | H21 | 2.5° | 0.1° |
| H28 | C22 | C23 | H31 | 149.9° | 37.8° |
| H28 | C22 | C23 | H30 | 28.4° | 86.1° |
| H29 | C22 | C23 | H31 | 28.2° | 160.0° |
| H29 | C22 | C23 | H30 | 93.2° | 36.2° |
| H33 | C24 | C23 | H31 | 37.4° | 35.8° |
| H33 | C24 | C23 | H30 | 84.1° | 88.1° |
| H33 | C24 | C25 | H35 | 32.1° | 21.2° |
| H33 | C24 | C25 | H34 | 89.3° | 100.0° |
| H32 | C24 | C23 | H31 | 159.9° | 158.9° |
| H32 | C24 | C23 | H30 | 38.4° | 35.0° |
| H32 | C24 | C25 | H35 | 154.5° | 144.4° |
| H32 | C24 | C25 | H34 | 33.1° | 23.2° |
| H8 | N4 | C8 | H10 | 177.0° | 120.0° |
| H8 | N4 | C8 | H9 | 62.2° | 120.1° |
| H10 | C8 | C9 | H12 | 75.3° | 180.0° |
| H10 | C8 | C9 | H11 | 44.5° | 60.0° |
| H9 | C8 | C9 | H12 | 164.0° | 59.9° |
| H9 | C8 | C9 | H11 | 76.2° | 180.0° |
| H14 | C10 | C11 | H16 | 172.0° | 175.0° |
| H14 | C10 | C11 | H15 | 67.7° | 55.0° |
| H13 | C10 | C11 | H16 | 54.5° | 65.0° |
| H13 | C10 | C11 | H15 | 174.7° | 175.1° |
| H16 | C11 | C12 | H18 | 75.2° | 180.0° |
| H16 | C11 | C12 | H17 | 166.0° | 60.0° |
| H15 | C11 | C12 | H18 | 45.0° | 60.0° |
| H15 | C11 | C12 | H17 | 73.8° | 179.9° |
| H21 | C16 | C17 | H22 | 0.3° | 0.2° |
| H22 | C17 | C18 | H23 | 3.9° | 0.0° |
| H25 | C19 | C20 | H26 | 178.8° | 179.4° |
| H25 | C19 | C20 | H27 | 61.3° | 60.6° |
| H24 | C19 | C20 | H26 | 63.7° | 59.4° |
| H24 | C19 | C20 | H27 | 56.3° | 179.4° |
