A1A4E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N6 | sing | 1.47Å | 1.46Å | |
| C30 | N6 | sing | 1.47Å | 1.47Å | |
| C30 | C29 | sing | 1.51Å | 1.55Å | |
| N6 | C31 | sing | 1.47Å | 1.51Å | |
| C29 | C28 | doub | 1.33Å | 1.52Å | |
| C28 | C27 | sing | 1.47Å | 1.53Å | |
| C13 | N3 | sing | 1.46Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N3 | C12 | sing | 1.35Å | 1.37Å | |
| C14 | C10 | sing | 1.51Å | 1.51Å | |
| C27 | O3 | doub | 1.22Å | 1.23Å | |
| C27 | N5 | sing | 1.35Å | 1.35Å | |
| C12 | O2 | doub | 1.22Å | 1.22Å | |
| C12 | C11 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C11 | C8 | sing | 1.45Å | 1.46Å | Aromatic |
| N5 | C26 | sing | 1.47Å | 1.49Å | |
| N5 | C22 | sing | 1.47Å | 1.46Å | |
| C26 | C25 | sing | 1.54Å | 1.55Å | |
| N2 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | N1 | sing | 1.40Å | 1.40Å | |
| C9 | C15 | sing | 1.47Å | 1.47Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| N1 | C7 | sing | 1.40Å | 1.41Å | |
| C22 | C21 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C22 | C24 | sing | 1.55Å | 1.54Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| C21 | C20 | trip | 1.17Å | 1.17Å | |
| C15 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C15 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C25 | C24 | sing | 1.55Å | 1.55Å | |
| C20 | C19 | sing | 1.43Å | 1.45Å | |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | N4 | doub | 1.32Å | 1.31Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N4 | sing | 1.32Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | CL | sing | 1.74Å | 1.72Å | |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C32 | H36 | sing | 1.09Å | 1.10Å | |
| C32 | H37 | sing | 1.09Å | 1.10Å | |
| C32 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N6 | C30 | 109.5° | 111.0° |
| C32 | N6 | C31 | 109.5° | 111.0° |
| N6 | C32 | H36 | 109.5° | 109.5° |
| N6 | C32 | H37 | 109.5° | 109.4° |
| N6 | C32 | H38 | 109.5° | 109.5° |
| N6 | C30 | C29 | 110.2° | 109.4° |
| C30 | N6 | C31 | 109.8° | 111.0° |
| N6 | C30 | H30 | 109.3° | 109.5° |
| N6 | C30 | H31 | 109.3° | 109.5° |
| C30 | C29 | C28 | 121.9° | 120.0° |
| C30 | C29 | H28 | 119.1° | 120.0° |
| C29 | C30 | H30 | 109.3° | 109.5° |
| C29 | C30 | H31 | 109.3° | 109.4° |
| N6 | C31 | H33 | 109.5° | 109.5° |
| N6 | C31 | H34 | 109.5° | 109.5° |
| N6 | C31 | H35 | 109.5° | 109.5° |
| C29 | C28 | C27 | 115.0° | 120.0° |
| C29 | C28 | H13 | 122.5° | 120.0° |
| C28 | C29 | H28 | 119.1° | 120.0° |
| C28 | C27 | O3 | 124.3° | 120.0° |
| C28 | C27 | N5 | 117.1° | 120.0° |
| C27 | C28 | H13 | 122.5° | 120.0° |
| N3 | C13 | C14 | 114.2° | 113.0° |
| C13 | N3 | C12 | 123.4° | 122.6° |
| C13 | N3 | H2 | 118.3° | 118.7° |
| N3 | C13 | H6 | 108.3° | 108.8° |
| N3 | C13 | H7 | 108.3° | 108.8° |
| C13 | C14 | C10 | 110.0° | 108.8° |
| C14 | C13 | H6 | 108.3° | 108.7° |
| C14 | C13 | H7 | 108.3° | 108.8° |
| C13 | C14 | H19 | 109.3° | 109.6° |
| C13 | C14 | H20 | 109.4° | 109.6° |
| N3 | C12 | O2 | 121.1° | 121.7° |
| N3 | C12 | C11 | 116.7° | 116.5° |
| C12 | N3 | H2 | 118.3° | 118.7° |
| C14 | C10 | C11 | 122.6° | 120.8° |
| C14 | C10 | N2 | 128.5° | 130.6° |
| C10 | C14 | H19 | 109.3° | 109.5° |
| C10 | C14 | H20 | 109.3° | 109.6° |
| O3 | C27 | N5 | 118.6° | 120.0° |
| C27 | N5 | C26 | 125.9° | 125.7° |
| C27 | N5 | C22 | 124.8° | 125.8° |
| O2 | C12 | C11 | 122.0° | 121.7° |
| C12 | C11 | C10 | 120.4° | 120.9° |
| C12 | C11 | C8 | 133.0° | 132.0° |
| C11 | C10 | N2 | 108.9° | 108.6° |
| C10 | C11 | C8 | 106.4° | 107.0° |
| C10 | N2 | C9 | 111.7° | 110.3° |
| C10 | N2 | H18 | 124.1° | 124.8° |
| C11 | C8 | C9 | 105.9° | 105.6° |
| C11 | C8 | N1 | 123.5° | 127.2° |
| C26 | N5 | C22 | 109.2° | 108.5° |
| N5 | C26 | C25 | 106.9° | 107.4° |
| N5 | C26 | H11 | 110.1° | 109.8° |
| N5 | C26 | H12 | 110.1° | 110.0° |
| N5 | C22 | C21 | 113.5° | 110.3° |
| N5 | C22 | C23 | 109.7° | 110.4° |
| N5 | C22 | C24 | 109.1° | 105.0° |
| C26 | C25 | C24 | 104.6° | 102.9° |
| C25 | C26 | H11 | 110.1° | 109.9° |
| C25 | C26 | H12 | 110.1° | 109.9° |
| C26 | C25 | H26 | 110.7° | 110.7° |
| C26 | C25 | H27 | 110.7° | 110.7° |
| N2 | C9 | C8 | 106.9° | 108.5° |
| N2 | C9 | C15 | 122.9° | 125.8° |
| C9 | N2 | H18 | 124.1° | 124.9° |
| C9 | C8 | N1 | 130.7° | 127.2° |
| C8 | C9 | C15 | 129.2° | 125.8° |
| C8 | N1 | C7 | 126.0° | 120.0° |
| C8 | N1 | H1 | 117.0° | 120.0° |
| C9 | C15 | C16 | 118.4° | 121.0° |
| C9 | C15 | C19 | 124.0° | 121.0° |
| C1 | O1 | C2 | 113.6° | 117.1° |
| O1 | C1 | H15 | 109.5° | 109.4° |
| O1 | C1 | H16 | 109.5° | 109.5° |
| O1 | C1 | H17 | 109.5° | 109.5° |
| N1 | C7 | C2 | 117.6° | 120.1° |
| N1 | C7 | C6 | 122.9° | 120.1° |
| C7 | N1 | H1 | 117.0° | 120.0° |
| C21 | C22 | C23 | 107.2° | 110.3° |
| C21 | C22 | C24 | 110.5° | 110.4° |
| C22 | C21 | C20 | 176.8° | 180.0° |
| C23 | C22 | C24 | 106.7° | 110.4° |
| C22 | C23 | H23 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C24 | C25 | 105.4° | 101.6° |
| C22 | C24 | H9 | 110.5° | 111.0° |
| C22 | C24 | H10 | 110.5° | 111.0° |
| O1 | C2 | C7 | 120.5° | 120.1° |
| O1 | C2 | C3 | 119.9° | 120.1° |
| C21 | C20 | C19 | 178.0° | 180.0° |
| C16 | C15 | C19 | 117.4° | 118.0° |
| C15 | C16 | C17 | 120.0° | 119.1° |
| C15 | C16 | H21 | 120.0° | 120.4° |
| C15 | C19 | C20 | 124.0° | 120.7° |
| C15 | C19 | C18 | 117.4° | 118.7° |
| C25 | C24 | H9 | 110.5° | 111.0° |
| C25 | C24 | H10 | 110.5° | 111.0° |
| C24 | C25 | H26 | 110.6° | 110.7° |
| C24 | C25 | H27 | 110.7° | 110.7° |
| C20 | C19 | C18 | 118.6° | 120.6° |
| C16 | C17 | N4 | 121.0° | 121.3° |
| C16 | C17 | H8 | 119.5° | 119.3° |
| C17 | C16 | H21 | 120.0° | 120.5° |
| C19 | C18 | N4 | 121.7° | 120.7° |
| C19 | C18 | H22 | 119.1° | 119.7° |
| C17 | N4 | C18 | 122.5° | 122.2° |
| N4 | C17 | H8 | 119.5° | 119.4° |
| C2 | C7 | C6 | 119.2° | 119.9° |
| C7 | C2 | C3 | 119.5° | 119.8° |
| C7 | C6 | C5 | 120.4° | 119.9° |
| C7 | C6 | H5 | 119.8° | 120.0° |
| N4 | C18 | H22 | 119.2° | 119.6° |
| C2 | C3 | CL | 117.6° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C6 | C5 | C4 | 119.8° | 120.2° |
| C6 | C5 | H4 | 120.1° | 119.9° |
| C5 | C6 | H5 | 119.8° | 120.0° |
| CL | C3 | C4 | 121.6° | 120.0° |
| C3 | C4 | C5 | 120.4° | 120.2° |
| C3 | C4 | H3 | 119.8° | 119.9° |
| C5 | C4 | H3 | 119.8° | 120.0° |
| C4 | C5 | H4 | 120.1° | 119.9° |
| H6 | C13 | H7 | 109.5° | 108.6° |
| H9 | C24 | H10 | 109.5° | 110.9° |
| H11 | C26 | H12 | 109.5° | 109.8° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.7° |
| H23 | C23 | H24 | 109.4° | 109.5° |
| H23 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H25 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 110.9° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H33 | C31 | H34 | 109.4° | 109.5° |
| H33 | C31 | H35 | 109.5° | 109.5° |
| H34 | C31 | H35 | 109.4° | 109.4° |
| H36 | C32 | H37 | 109.4° | 109.4° |
| H36 | C32 | H38 | 109.5° | 109.5° |
| H37 | C32 | H38 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N6 | C30 | C31 | 120.2° | 123.9° |
| C32 | N6 | C30 | C29 | 172.8° | 66.1° |
| C32 | N6 | C30 | H30 | 52.7° | 173.9° |
| C32 | N6 | C30 | H31 | 67.1° | 53.9° |
| C32 | N6 | C31 | H33 | 180.0° | 63.9° |
| C32 | N6 | C31 | H34 | 60.0° | 56.1° |
| C32 | N6 | C31 | H35 | 60.0° | 176.1° |
| N6 | C32 | H36 | H37 | 120.0° | 119.9° |
| N6 | C32 | H36 | H38 | 120.0° | 120.1° |
| N6 | C32 | H37 | H38 | 120.0° | 120.0° |
| N6 | C30 | C29 | H30 | 120.1° | 120.0° |
| N6 | C30 | C29 | H31 | 120.1° | 120.0° |
| N6 | C30 | C29 | C28 | 83.9° | 125.0° |
| N6 | C30 | C29 | H28 | 96.2° | 55.1° |
| N6 | C30 | H30 | H31 | 119.6° | 120.0° |
| C30 | N6 | C31 | H33 | 59.8° | 60.0° |
| C30 | N6 | C31 | H34 | 179.8° | 180.0° |
| C30 | N6 | C31 | H35 | 60.3° | 60.0° |
| C30 | N6 | C32 | H36 | 180.0° | 60.1° |
| C30 | N6 | C32 | H37 | 60.0° | 180.0° |
| C30 | N6 | C32 | H38 | 60.0° | 60.0° |
| C29 | C30 | N6 | C31 | 52.6° | 170.0° |
| C30 | C29 | C28 | H28 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 121.8° | 180.0° |
| C30 | C29 | C28 | H13 | 58.2° | 0.0° |
| C29 | C30 | H30 | H31 | 119.7° | 120.0° |
| C31 | N6 | C30 | H30 | 67.5° | 50.0° |
| C31 | N6 | C30 | H31 | 172.7° | 70.0° |
| N6 | C31 | H33 | H34 | 120.0° | 120.0° |
| N6 | C31 | H33 | H35 | 120.0° | 120.0° |
| N6 | C31 | H34 | H35 | 120.0° | 119.9° |
| C31 | N6 | C32 | H36 | 59.6° | 176.0° |
| C31 | N6 | C32 | H37 | 179.6° | 56.1° |
| C31 | N6 | C32 | H38 | 60.5° | 63.9° |
| C29 | C28 | C27 | H13 | 180.0° | 180.0° |
| C29 | C28 | C27 | O3 | 18.9° | 0.1° |
| C29 | C28 | C27 | N5 | 162.7° | 180.0° |
| C28 | C29 | C30 | H30 | 156.0° | 114.9° |
| C28 | C29 | C30 | H31 | 36.2° | 5.1° |
| C28 | C27 | O3 | N5 | 178.4° | 180.0° |
| C28 | C27 | N5 | C26 | 3.5° | 0.0° |
| C28 | C27 | N5 | C22 | 179.5° | 180.0° |
| C27 | C28 | C29 | H28 | 58.2° | 0.1° |
| N3 | C13 | C14 | H6 | 120.7° | 120.9° |
| N3 | C13 | C14 | H7 | 120.7° | 120.9° |
| C13 | N3 | C12 | H2 | 180.0° | 179.7° |
| N3 | C13 | C14 | C10 | 39.4° | 46.5° |
| C13 | N3 | C12 | O2 | 176.9° | 172.2° |
| C13 | N3 | C12 | C11 | 7.0° | 7.8° |
| N3 | C13 | H6 | H7 | 117.8° | 118.3° |
| N3 | C13 | C14 | H19 | 159.5° | 73.3° |
| N3 | C13 | C14 | H20 | 80.7° | 166.3° |
| C14 | C13 | N3 | C12 | 34.6° | 39.2° |
| C13 | C14 | C10 | H19 | 120.1° | 119.8° |
| C13 | C14 | C10 | H20 | 120.1° | 119.8° |
| C13 | C14 | C10 | C11 | 22.2° | 28.6° |
| C13 | C14 | C10 | N2 | 154.6° | 150.4° |
| C14 | C13 | N3 | H2 | 145.4° | 140.5° |
| C14 | C13 | H6 | H7 | 117.9° | 118.3° |
| C13 | C14 | H19 | H20 | 119.8° | 120.4° |
| N3 | C12 | O2 | C11 | 175.9° | 179.9° |
| N3 | C12 | C11 | C10 | 13.4° | 13.5° |
| N3 | C12 | C11 | C8 | 172.6° | 166.7° |
| C12 | N3 | C13 | H6 | 86.1° | 81.7° |
| C12 | N3 | C13 | H7 | 155.3° | 160.1° |
| C14 | C10 | C11 | C12 | 4.1° | 1.0° |
| C14 | C10 | C11 | N2 | 177.4° | 179.2° |
| C14 | C10 | C11 | C8 | 179.6° | 179.1° |
| C14 | C10 | N2 | C9 | 177.7° | 179.1° |
| C10 | C14 | C13 | H6 | 81.3° | 74.4° |
| C10 | C14 | C13 | H7 | 160.1° | 167.4° |
| C14 | C10 | N2 | H18 | 2.3° | 1.0° |
| C10 | C14 | H19 | H20 | 119.7° | 120.4° |
| O3 | C27 | N5 | C26 | 178.0° | 180.0° |
| O3 | C27 | N5 | C22 | 2.0° | 0.0° |
| O3 | C27 | C28 | H13 | 161.1° | 180.0° |
| C27 | N5 | C26 | C22 | 176.5° | 180.0° |
| C27 | N5 | C26 | C25 | 166.7° | 179.0° |
| C27 | N5 | C22 | C21 | 55.5° | 85.2° |
| C27 | N5 | C22 | C23 | 64.4° | 37.0° |
| C27 | N5 | C22 | C24 | 179.1° | 155.9° |
| C27 | N5 | C26 | H11 | 47.1° | 59.5° |
| C27 | N5 | C26 | H12 | 73.7° | 61.5° |
| N5 | C27 | C28 | H13 | 17.3° | 0.0° |
| O2 | C12 | C11 | C10 | 162.6° | 166.5° |
| O2 | C12 | C11 | C8 | 11.4° | 13.3° |
| O2 | C12 | N3 | H2 | 3.1° | 8.1° |
| C12 | C11 | C10 | C8 | 175.4° | 179.8° |
| C12 | C11 | C10 | N2 | 178.5° | 179.8° |
| C12 | C11 | C8 | C9 | 174.6° | 179.7° |
| C12 | C11 | C8 | N1 | 5.7° | 0.2° |
| C11 | C12 | N3 | H2 | 172.9° | 171.9° |
| C11 | C10 | N2 | C9 | 5.2° | 0.1° |
| C10 | C11 | C8 | C9 | 0.0° | 0.1° |
| C10 | C11 | C8 | N1 | 179.7° | 179.9° |
| C11 | C10 | N2 | H18 | 174.8° | 179.9° |
| C11 | C10 | C14 | H19 | 142.3° | 91.1° |
| C11 | C10 | C14 | H20 | 97.9° | 148.5° |
| N2 | C10 | C11 | C8 | 3.1° | 0.1° |
| C10 | N2 | C9 | H18 | 180.0° | 180.0° |
| C10 | N2 | C9 | C8 | 5.1° | 0.0° |
| C10 | N2 | C9 | C15 | 174.8° | 179.9° |
| N2 | C10 | C14 | H19 | 34.5° | 89.9° |
| N2 | C10 | C14 | H20 | 85.3° | 30.6° |
| C11 | C8 | C9 | N2 | 3.0° | 0.0° |
| C11 | C8 | C9 | N1 | 179.7° | 180.0° |
| C11 | C8 | C9 | C15 | 171.7° | 180.0° |
| C11 | C8 | N1 | C7 | 112.6° | 73.2° |
| C11 | C8 | N1 | H1 | 67.4° | 106.6° |
| N5 | C26 | C25 | H11 | 119.6° | 119.4° |
| N5 | C26 | C25 | H12 | 119.6° | 119.6° |
| C26 | N5 | C22 | C21 | 128.0° | 94.7° |
| C26 | N5 | C22 | C23 | 112.2° | 143.1° |
| C26 | N5 | C22 | C24 | 4.4° | 24.2° |
| N5 | C26 | C25 | C24 | 22.2° | 22.2° |
| N5 | C26 | H11 | H12 | 121.2° | 121.1° |
| N5 | C26 | C25 | H26 | 97.1° | 140.5° |
| N5 | C26 | C25 | H27 | 141.4° | 96.1° |
| C22 | N5 | C26 | C25 | 16.7° | 1.1° |
| N5 | C22 | C21 | C23 | 121.3° | 122.2° |
| N5 | C22 | C21 | C24 | 122.8° | 115.5° |
| N5 | C22 | C23 | C24 | 118.0° | 115.6° |
| N5 | C22 | C21 | C20 | 129.5° | 149.2° |
| N5 | C22 | C24 | C25 | 9.7° | 37.1° |
| N5 | C22 | C24 | H9 | 109.7° | 81.0° |
| N5 | C22 | C24 | H10 | 129.1° | 155.1° |
| C22 | N5 | C26 | H11 | 136.4° | 120.5° |
| C22 | N5 | C26 | H12 | 102.9° | 118.5° |
| N5 | C22 | C23 | H23 | 180.0° | 177.1° |
| N5 | C22 | C23 | H24 | 60.0° | 57.1° |
| N5 | C22 | C23 | H25 | 60.0° | 62.9° |
| C26 | C25 | C24 | C22 | 19.2° | 35.5° |
| C26 | C25 | C24 | H26 | 119.2° | 118.3° |
| C26 | C25 | C24 | H27 | 119.2° | 118.3° |
| C26 | C25 | C24 | H9 | 100.2° | 82.6° |
| C26 | C25 | C24 | H10 | 138.5° | 153.6° |
| C25 | C26 | H11 | H12 | 121.2° | 121.0° |
| C26 | C25 | H26 | H27 | 122.2° | 123.3° |
| N2 | C9 | C8 | C15 | 168.8° | 180.0° |
| N2 | C9 | C8 | N1 | 176.7° | 180.0° |
| N2 | C9 | C15 | C16 | 156.6° | 88.3° |
| N2 | C9 | C15 | C19 | 18.2° | 91.9° |
| C9 | C8 | N1 | C7 | 67.8° | 106.8° |
| C8 | C9 | C15 | C16 | 10.6° | 91.7° |
| C8 | C9 | C15 | C19 | 174.6° | 88.0° |
| C9 | C8 | N1 | H1 | 112.2° | 73.4° |
| C8 | C9 | N2 | H18 | 174.9° | 180.0° |
| N1 | C8 | C9 | C15 | 7.9° | 0.0° |
| C8 | N1 | C7 | H1 | 180.0° | 179.7° |
| C8 | N1 | C7 | C2 | 167.0° | 130.5° |
| C8 | N1 | C7 | C6 | 19.6° | 49.4° |
| C9 | C15 | C16 | C19 | 175.1° | 179.8° |
| C9 | C15 | C19 | C20 | 6.5° | 0.3° |
| C9 | C15 | C16 | C17 | 175.5° | 179.8° |
| C9 | C15 | C19 | C18 | 174.6° | 179.8° |
| C15 | C9 | N2 | H18 | 5.2° | 0.1° |
| C9 | C15 | C16 | H21 | 4.5° | 0.3° |
| C1 | O1 | C2 | C7 | 88.9° | 90.2° |
| C1 | O1 | C2 | C3 | 87.1° | 89.4° |
| O1 | C1 | H15 | H16 | 120.0° | 120.0° |
| O1 | C1 | H15 | H17 | 120.0° | 120.0° |
| O1 | C1 | H16 | H17 | 120.0° | 120.1° |
| N1 | C7 | C2 | O1 | 5.3° | 0.1° |
| N1 | C7 | C2 | C6 | 173.7° | 179.9° |
| N1 | C7 | C2 | C3 | 178.6° | 179.8° |
| N1 | C7 | C6 | C5 | 176.2° | 180.0° |
| N1 | C7 | C6 | H5 | 3.8° | 0.0° |
| C21 | C22 | C23 | C24 | 118.3° | 122.2° |
| C21 | C22 | C24 | C25 | 115.7° | 81.8° |
| C22 | C21 | C20 | C19 | 60.8° | 91.5° |
| C21 | C22 | C24 | H9 | 124.9° | 160.1° |
| C21 | C22 | C24 | H10 | 3.6° | 36.3° |
| C21 | C22 | C23 | H23 | 56.3° | 60.7° |
| C21 | C22 | C23 | H24 | 176.3° | 179.3° |
| C21 | C22 | C23 | H25 | 63.7° | 59.3° |
| C23 | C22 | C21 | C20 | 8.2° | 27.0° |
| C23 | C22 | C24 | C25 | 128.2° | 156.0° |
| C23 | C22 | C24 | H9 | 8.8° | 37.9° |
| C23 | C22 | C24 | H10 | 112.5° | 85.9° |
| C22 | C23 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H23 | H25 | 120.0° | 120.0° |
| C22 | C23 | H24 | H25 | 120.0° | 120.0° |
| C24 | C22 | C21 | C20 | 107.6° | 95.2° |
| C22 | C24 | C25 | H9 | 119.4° | 118.1° |
| C22 | C24 | C25 | H10 | 119.4° | 118.1° |
| C22 | C24 | H9 | H10 | 121.9° | 123.9° |
| C24 | C22 | C23 | H23 | 62.0° | 61.6° |
| C24 | C22 | C23 | H24 | 58.0° | 58.5° |
| C24 | C22 | C23 | H25 | 178.0° | 178.5° |
| C22 | C24 | C25 | H26 | 100.1° | 153.8° |
| C22 | C24 | C25 | H27 | 138.4° | 82.8° |
| O1 | C2 | C7 | C3 | 176.1° | 179.6° |
| O1 | C2 | C7 | C6 | 179.0° | 180.0° |
| O1 | C2 | C3 | CL | 3.2° | 0.3° |
| O1 | C2 | C3 | C4 | 179.3° | 179.8° |
| C2 | O1 | C1 | H15 | 180.0° | 64.8° |
| C2 | O1 | C1 | H16 | 60.0° | 55.1° |
| C2 | O1 | C1 | H17 | 60.0° | 175.2° |
| C21 | C20 | C19 | C15 | 20.0° | 61.6° |
| C21 | C20 | C19 | C18 | 161.1° | 118.5° |
| C16 | C15 | C19 | C20 | 178.7° | 180.0° |
| C15 | C16 | C17 | H21 | 180.0° | 179.9° |
| C16 | C15 | C19 | C18 | 0.3° | 0.0° |
| C15 | C16 | C17 | N4 | 0.1° | 0.1° |
| C15 | C16 | C17 | H8 | 179.9° | 179.9° |
| C15 | C19 | C20 | C18 | 178.9° | 179.9° |
| C19 | C15 | C16 | C17 | 0.4° | 0.0° |
| C15 | C19 | C18 | N4 | 1.2° | 0.0° |
| C19 | C15 | C16 | H21 | 179.6° | 179.9° |
| C15 | C19 | C18 | H22 | 178.8° | 180.0° |
| C25 | C24 | H9 | H10 | 121.9° | 123.9° |
| C24 | C25 | C26 | H11 | 141.7° | 97.2° |
| C24 | C25 | C26 | H12 | 97.4° | 141.8° |
| C24 | C25 | H26 | H27 | 122.2° | 123.3° |
| C20 | C19 | C18 | N4 | 177.8° | 180.0° |
| C20 | C19 | C18 | H22 | 2.2° | 0.1° |
| C16 | C17 | N4 | H8 | 180.0° | 179.9° |
| C16 | C17 | N4 | C18 | 0.9° | 0.1° |
| C19 | C18 | N4 | C17 | 1.6° | 0.1° |
| C19 | C18 | N4 | H22 | 180.0° | 179.9° |
| N4 | C17 | C16 | H21 | 179.9° | 180.0° |
| C17 | N4 | C18 | H22 | 178.4° | 180.0° |
| C2 | C7 | C6 | C5 | 2.9° | 0.1° |
| C7 | C2 | C3 | CL | 179.3° | 179.9° |
| C7 | C2 | C3 | C4 | 4.7° | 0.6° |
| C2 | C7 | N1 | H1 | 13.0° | 49.7° |
| C2 | C7 | C6 | H5 | 177.1° | 179.9° |
| C6 | C7 | C2 | C3 | 5.0° | 0.4° |
| C7 | C6 | C5 | H5 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C6 | C7 | N1 | H1 | 160.4° | 130.4° |
| C7 | C6 | C5 | H4 | 179.5° | 180.0° |
| C18 | N4 | C17 | H8 | 179.1° | 180.0° |
| C2 | C3 | CL | C4 | 176.1° | 179.5° |
| C2 | C3 | C4 | C5 | 2.2° | 0.6° |
| C2 | C3 | C4 | H3 | 177.8° | 179.7° |
| C6 | C5 | C4 | C3 | 0.1° | 0.3° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H3 | 179.9° | 180.0° |
| CL | C3 | C4 | C5 | 178.1° | 180.0° |
| CL | C3 | C4 | H3 | 1.9° | 0.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | H4 | 179.9° | 179.7° |
| C4 | C5 | C6 | H5 | 179.6° | 179.9° |
| H2 | N3 | C13 | H6 | 94.0° | 98.6° |
| H2 | N3 | C13 | H7 | 24.7° | 19.6° |
| H3 | C4 | C5 | H4 | 0.1° | 0.0° |
| H4 | C5 | C6 | H5 | 0.4° | 0.1° |
| H6 | C13 | C14 | H19 | 38.8° | 165.9° |
| H6 | C13 | C14 | H20 | 158.6° | 45.4° |
| H7 | C13 | C14 | H19 | 79.9° | 47.7° |
| H7 | C13 | C14 | H20 | 40.0° | 72.8° |
| H8 | C17 | C16 | H21 | 0.1° | 0.2° |
| H9 | C24 | C25 | H26 | 140.6° | 35.7° |
| H9 | C24 | C25 | H27 | 19.1° | 159.1° |
| H10 | C24 | C25 | H26 | 19.3° | 88.1° |
| H10 | C24 | C25 | H27 | 102.2° | 35.3° |
| H11 | C26 | C25 | H26 | 22.5° | 21.1° |
| H11 | C26 | C25 | H27 | 99.0° | 144.4° |
| H12 | C26 | C25 | H26 | 143.3° | 99.9° |
| H12 | C26 | C25 | H27 | 21.8° | 23.5° |
| H13 | C28 | C29 | H28 | 121.7° | 180.0° |
| H15 | C1 | H16 | H17 | 120.0° | 120.0° |
| H23 | C23 | H24 | H25 | 120.0° | 119.9° |
| H28 | C29 | C30 | H30 | 24.0° | 65.0° |
| H28 | C29 | C30 | H31 | 143.7° | 175.0° |
| H33 | C31 | H34 | H35 | 120.0° | 120.0° |
| H36 | C32 | H37 | H38 | 120.0° | 120.1° |
