O21
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C26 | doub | 1.22Å | 1.23Å | |
| C27 | C26 | sing | 1.47Å | 1.56Å | |
| C27 | C28 | doub | 1.33Å | 1.57Å | |
| C26 | N6 | sing | 1.35Å | 1.35Å | |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C25 | sing | 1.40Å | 1.37Å | |
| C25 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | N5 | sing | 1.40Å | 1.36Å | |
| N5 | C19 | sing | 1.39Å | 1.37Å | |
| C19 | N7 | doub | 1.33Å | 1.33Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C29 | sing | 1.32Å | 1.42Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.51Å | |
| C12 | N3 | sing | 1.47Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C11 | N3 | sing | 1.47Å | 1.48Å | |
| C29 | N8 | doub | 1.32Å | 1.39Å | Aromatic |
| C13 | N4 | sing | 1.47Å | 1.49Å | |
| C17 | N8 | sing | 1.33Å | 1.33Å | Aromatic |
| C17 | N2 | sing | 1.39Å | 1.36Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C9 | N2 | sing | 1.46Å | 1.49Å | |
| N3 | C16 | sing | 1.47Å | 1.46Å | |
| N2 | C8 | sing | 1.35Å | 1.38Å | |
| N4 | C14 | sing | 1.47Å | 1.47Å | |
| N4 | C15 | sing | 1.47Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.50Å | |
| C8 | N1 | sing | 1.35Å | 1.34Å | |
| C8 | O3 | doub | 1.22Å | 1.21Å | |
| N1 | C7 | sing | 1.40Å | 1.37Å | |
| CL1 | C6 | sing | 1.74Å | 1.76Å | |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C30 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| CL2 | C30 | sing | 1.74Å | 1.64Å | |
| C30 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.33Å | |
| C4 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| O2 | C5 | sing | 1.43Å | 1.45Å | |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.35Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C9 | H19 | sing | 1.09Å | 1.10Å | |
| N1 | H20 | sing | 0.97Å | 1.00Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C21 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| C27 | H36 | sing | 1.08Å | 1.08Å | |
| C28 | H38 | sing | 1.08Å | 1.08Å | |
| C28 | H39 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C26 | C27 | 117.1° | 120.0° |
| O4 | C26 | N6 | 124.5° | 120.0° |
| C26 | C27 | C28 | 117.2° | 120.0° |
| C27 | C26 | N6 | 118.4° | 119.9° |
| C26 | C27 | H36 | 121.4° | 120.1° |
| C28 | C27 | H36 | 121.4° | 120.0° |
| C27 | C28 | H38 | 120.0° | 120.0° |
| C27 | C28 | H39 | 120.0° | 120.0° |
| C26 | N6 | C25 | 123.3° | 120.0° |
| C26 | N6 | H35 | 118.4° | 120.0° |
| C23 | C24 | C25 | 123.9° | 120.0° |
| C24 | C23 | C22 | 118.1° | 120.2° |
| C24 | C23 | H33 | 121.0° | 119.8° |
| C23 | C24 | H34 | 118.1° | 120.0° |
| C24 | C25 | N6 | 124.8° | 120.1° |
| C24 | C25 | C20 | 117.3° | 119.8° |
| C25 | C24 | H34 | 118.0° | 120.0° |
| C23 | C22 | C21 | 119.3° | 120.2° |
| C23 | C22 | H32 | 120.4° | 119.9° |
| C22 | C23 | H33 | 121.0° | 120.0° |
| N6 | C25 | C20 | 117.7° | 120.1° |
| C25 | N6 | H35 | 118.4° | 120.0° |
| C25 | C20 | C21 | 118.8° | 119.8° |
| C25 | C20 | N5 | 118.1° | 120.1° |
| C22 | C21 | C20 | 122.6° | 120.0° |
| C22 | C21 | H31 | 118.7° | 120.0° |
| C21 | C22 | H32 | 120.4° | 119.8° |
| C21 | C20 | N5 | 123.0° | 120.1° |
| C20 | C21 | H31 | 118.7° | 120.0° |
| C20 | N5 | C19 | 125.4° | 120.0° |
| C20 | N5 | H30 | 117.3° | 120.0° |
| N5 | C19 | N7 | 117.7° | 120.5° |
| N5 | C19 | C18 | 125.2° | 120.5° |
| C19 | N5 | H30 | 117.3° | 120.0° |
| N7 | C19 | C18 | 117.1° | 119.0° |
| C19 | N7 | C29 | 118.5° | 120.9° |
| C19 | C18 | C17 | 125.9° | 118.3° |
| C19 | C18 | H28 | 117.1° | 120.9° |
| N7 | C29 | N8 | 122.5° | 121.9° |
| N7 | C29 | H29 | 118.8° | 119.1° |
| C18 | C17 | N8 | 116.1° | 119.0° |
| C18 | C17 | N2 | 123.0° | 120.5° |
| C17 | C18 | H28 | 117.1° | 120.8° |
| C13 | C12 | N3 | 106.3° | 109.3° |
| C12 | C13 | N4 | 107.3° | 109.3° |
| C13 | C12 | H5 | 110.2° | 109.5° |
| C13 | C12 | H6 | 110.2° | 109.4° |
| C12 | C13 | H7 | 110.0° | 109.5° |
| C12 | C13 | H8 | 110.0° | 109.5° |
| C12 | N3 | C11 | 107.1° | 111.0° |
| C12 | N3 | C16 | 111.6° | 110.9° |
| N3 | C12 | H5 | 110.2° | 109.5° |
| N3 | C12 | H6 | 110.3° | 109.5° |
| C10 | C11 | N3 | 111.7° | 109.5° |
| C11 | C10 | C9 | 105.8° | 109.5° |
| C11 | C10 | H1 | 110.4° | 109.5° |
| C11 | C10 | H2 | 110.4° | 109.5° |
| C10 | C11 | H3 | 108.9° | 109.4° |
| C10 | C11 | H4 | 108.9° | 109.5° |
| C11 | N3 | C16 | 113.5° | 111.0° |
| N3 | C11 | H3 | 108.9° | 109.5° |
| N3 | C11 | H4 | 108.9° | 109.5° |
| C29 | N8 | C17 | 119.8° | 120.9° |
| N8 | C29 | H29 | 118.8° | 119.0° |
| C13 | N4 | C14 | 117.7° | 111.0° |
| C13 | N4 | C15 | 107.3° | 110.9° |
| N4 | C13 | H7 | 110.0° | 109.5° |
| N4 | C13 | H8 | 110.0° | 109.5° |
| N8 | C17 | N2 | 120.6° | 120.5° |
| C17 | N2 | C9 | 120.5° | 120.0° |
| C17 | N2 | C8 | 121.2° | 120.0° |
| C10 | C9 | N2 | 109.1° | 109.5° |
| C9 | C10 | H1 | 110.4° | 109.5° |
| C9 | C10 | H2 | 110.4° | 109.5° |
| C10 | C9 | H18 | 109.5° | 109.4° |
| C10 | C9 | H19 | 109.5° | 109.5° |
| C9 | N2 | C8 | 118.0° | 120.0° |
| N2 | C9 | H18 | 109.6° | 109.5° |
| N2 | C9 | H19 | 109.6° | 109.4° |
| N3 | C16 | C15 | 105.2° | 109.3° |
| N3 | C16 | H15 | 110.5° | 109.5° |
| N3 | C16 | H16 | 110.5° | 109.5° |
| N2 | C8 | N1 | 123.2° | 120.0° |
| N2 | C8 | O3 | 118.4° | 120.0° |
| C14 | N4 | C15 | 98.4° | 111.0° |
| N4 | C14 | H10 | 109.5° | 109.5° |
| N4 | C14 | H11 | 109.5° | 109.4° |
| N4 | C14 | H12 | 109.5° | 109.5° |
| N4 | C15 | C16 | 113.2° | 109.4° |
| N4 | C15 | H13 | 108.5° | 109.5° |
| N4 | C15 | H14 | 108.5° | 109.4° |
| C16 | C15 | H13 | 108.5° | 109.5° |
| C16 | C15 | H14 | 108.5° | 109.5° |
| C15 | C16 | H15 | 110.5° | 109.5° |
| C15 | C16 | H16 | 110.5° | 109.4° |
| N1 | C8 | O3 | 118.0° | 120.0° |
| C8 | N1 | C7 | 125.4° | 120.0° |
| C8 | N1 | H20 | 117.3° | 120.0° |
| N1 | C7 | C6 | 122.6° | 120.0° |
| N1 | C7 | C30 | 117.8° | 120.0° |
| C7 | N1 | H20 | 117.3° | 120.0° |
| CL1 | C6 | C7 | 121.7° | 120.0° |
| CL1 | C6 | C4 | 119.5° | 120.0° |
| C6 | C7 | C30 | 119.2° | 119.9° |
| C7 | C6 | C4 | 118.8° | 120.0° |
| C7 | C30 | CL2 | 119.5° | 120.0° |
| C7 | C30 | C2 | 122.1° | 120.0° |
| C6 | C4 | O2 | 114.0° | 120.0° |
| C6 | C4 | C3 | 122.4° | 120.0° |
| CL2 | C30 | C2 | 118.3° | 120.0° |
| C30 | C2 | C3 | 120.9° | 120.0° |
| C30 | C2 | O1 | 113.8° | 120.0° |
| O2 | C4 | C3 | 123.5° | 119.9° |
| C4 | O2 | C5 | 115.0° | 117.1° |
| C4 | C3 | C2 | 116.6° | 120.0° |
| C4 | C3 | H24 | 121.7° | 120.0° |
| O2 | C5 | H21 | 109.5° | 109.5° |
| O2 | C5 | H22 | 109.5° | 109.4° |
| O2 | C5 | H23 | 109.5° | 109.5° |
| C3 | C2 | O1 | 125.3° | 120.0° |
| C2 | C3 | H24 | 121.7° | 120.0° |
| C2 | O1 | C1 | 117.4° | 116.9° |
| O1 | C1 | H25 | 109.5° | 109.5° |
| O1 | C1 | H26 | 109.4° | 109.5° |
| O1 | C1 | H27 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.4° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C13 | H8 | 109.5° | 109.6° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.5° |
| H13 | C15 | H14 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H18 | C9 | H19 | 109.5° | 109.5° |
| H21 | C5 | H22 | 109.5° | 109.5° |
| H21 | C5 | H23 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.4° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.4° |
| H25 | C1 | H27 | 109.4° | 109.5° |
| H26 | C1 | H27 | 109.5° | 109.5° |
| H38 | C28 | H39 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C26 | C27 | N6 | 178.8° | 179.9° |
| O4 | C26 | C27 | C28 | 123.4° | 0.0° |
| O4 | C26 | N6 | C25 | 7.3° | 4.4° |
| O4 | C26 | N6 | H35 | 172.7° | 175.4° |
| O4 | C26 | C27 | H36 | 56.6° | 180.0° |
| C26 | C27 | C28 | H36 | 180.0° | 180.0° |
| C27 | C26 | N6 | C25 | 174.0° | 175.5° |
| C27 | C26 | N6 | H35 | 6.0° | 4.6° |
| C26 | C27 | C28 | H38 | 180.0° | 180.0° |
| C26 | C27 | C28 | H39 | 0.0° | 0.0° |
| C28 | C27 | C26 | N6 | 55.4° | 180.0° |
| C27 | C28 | H38 | H39 | 179.9° | 180.0° |
| C26 | N6 | C25 | C24 | 28.4° | 28.7° |
| C26 | N6 | C25 | H35 | 180.0° | 179.8° |
| C26 | N6 | C25 | C20 | 156.2° | 150.7° |
| N6 | C26 | C27 | H36 | 124.6° | 0.0° |
| C23 | C24 | C25 | H34 | 180.0° | 179.7° |
| C24 | C23 | C22 | H33 | 180.0° | 180.0° |
| C23 | C24 | C25 | N6 | 176.7° | 180.0° |
| C23 | C24 | C25 | C20 | 1.3° | 0.6° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | H32 | 179.6° | 180.0° |
| C25 | C24 | C23 | C22 | 1.7° | 0.3° |
| C24 | C25 | N6 | C20 | 175.4° | 179.4° |
| C24 | C25 | C20 | C21 | 0.4° | 0.6° |
| C24 | C25 | C20 | N5 | 177.3° | 179.7° |
| C25 | C24 | C23 | H33 | 178.3° | 179.7° |
| C24 | C25 | N6 | H35 | 151.6° | 151.1° |
| C23 | C22 | C21 | H32 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 1.3° | 0.0° |
| C23 | C22 | C21 | H31 | 178.7° | 180.0° |
| C22 | C23 | C24 | H34 | 178.3° | 180.0° |
| N6 | C25 | C20 | C21 | 175.4° | 180.0° |
| N6 | C25 | C20 | N5 | 1.6° | 0.3° |
| N6 | C25 | C24 | H34 | 3.3° | 0.3° |
| C25 | C20 | C21 | C22 | 1.7° | 0.3° |
| C25 | C20 | C21 | N5 | 176.8° | 179.7° |
| C25 | C20 | N5 | C19 | 120.9° | 151.3° |
| C25 | C20 | N5 | H30 | 59.1° | 28.8° |
| C25 | C20 | C21 | H31 | 178.3° | 179.7° |
| C20 | C25 | C24 | H34 | 178.7° | 179.7° |
| C20 | C25 | N6 | H35 | 23.8° | 29.5° |
| C22 | C21 | C20 | H31 | 180.0° | 180.0° |
| C22 | C21 | C20 | N5 | 178.5° | 180.0° |
| C21 | C22 | C23 | H33 | 179.6° | 180.0° |
| C21 | C20 | N5 | C19 | 62.3° | 28.4° |
| C21 | C20 | N5 | H30 | 117.7° | 151.5° |
| C20 | C21 | C22 | H32 | 178.7° | 180.0° |
| C20 | N5 | C19 | H30 | 180.0° | 179.9° |
| C20 | N5 | C19 | N7 | 155.1° | 7.1° |
| C20 | N5 | C19 | C18 | 26.4° | 173.6° |
| N5 | C20 | C21 | H31 | 1.5° | 0.0° |
| N5 | C19 | N7 | C18 | 178.6° | 179.3° |
| N5 | C19 | N7 | C29 | 177.2° | 180.0° |
| N5 | C19 | C18 | C17 | 178.8° | 179.7° |
| N5 | C19 | C18 | H28 | 1.2° | 0.2° |
| N7 | C19 | C18 | C17 | 0.3° | 0.4° |
| C19 | N7 | C29 | N8 | 1.1° | 0.5° |
| N7 | C19 | C18 | H28 | 179.7° | 179.5° |
| C19 | N7 | C29 | H29 | 178.9° | 179.5° |
| N7 | C19 | N5 | H30 | 24.9° | 173.0° |
| C18 | C19 | N7 | C29 | 1.4° | 0.7° |
| C19 | C18 | C17 | H28 | 180.0° | 179.9° |
| C19 | C18 | C17 | N8 | 2.5° | 0.0° |
| C19 | C18 | C17 | N2 | 176.3° | 179.8° |
| C18 | C19 | N5 | H30 | 153.6° | 6.3° |
| N7 | C29 | N8 | H29 | 180.0° | 180.0° |
| N7 | C29 | N8 | C17 | 1.1° | 0.0° |
| C18 | C17 | N8 | C29 | 2.7° | 0.2° |
| C18 | C17 | N8 | N2 | 174.0° | 179.8° |
| C18 | C17 | N2 | C9 | 0.2° | 9.2° |
| C18 | C17 | N2 | C8 | 172.4° | 170.8° |
| C13 | C12 | N3 | H5 | 119.5° | 120.0° |
| C13 | C12 | N3 | H6 | 119.5° | 119.9° |
| C13 | C12 | N3 | C11 | 166.7° | 176.8° |
| C12 | C13 | N4 | H7 | 119.7° | 120.0° |
| C12 | C13 | N4 | H8 | 119.6° | 120.0° |
| C13 | C12 | N3 | C16 | 68.5° | 59.4° |
| C12 | C13 | N4 | C14 | 170.5° | 176.8° |
| C12 | C13 | N4 | C15 | 60.8° | 59.3° |
| C13 | C12 | H5 | H6 | 121.5° | 120.0° |
| C12 | C13 | H7 | H8 | 121.0° | 120.1° |
| C12 | N3 | C11 | C10 | 167.6° | 170.0° |
| C12 | N3 | C11 | C16 | 123.6° | 123.8° |
| N3 | C12 | C13 | N4 | 66.0° | 58.4° |
| C12 | N3 | C16 | C15 | 62.1° | 59.4° |
| C12 | N3 | C11 | H3 | 47.2° | 50.0° |
| C12 | N3 | C11 | H4 | 72.0° | 70.0° |
| N3 | C12 | H5 | H6 | 121.5° | 120.1° |
| N3 | C12 | C13 | H7 | 53.7° | 61.5° |
| N3 | C12 | C13 | H8 | 174.3° | 178.4° |
| C12 | N3 | C16 | H15 | 57.2° | 179.3° |
| C12 | N3 | C16 | H16 | 178.6° | 60.6° |
| C10 | C11 | N3 | H3 | 120.4° | 120.0° |
| C10 | C11 | N3 | H4 | 120.4° | 120.0° |
| C11 | C10 | C9 | H1 | 119.4° | 120.0° |
| C11 | C10 | C9 | H2 | 119.4° | 120.0° |
| C11 | C10 | C9 | N2 | 179.4° | 180.0° |
| C10 | C11 | N3 | C16 | 68.8° | 66.2° |
| C11 | C10 | H1 | H2 | 121.7° | 120.0° |
| C10 | C11 | H3 | H4 | 119.0° | 119.9° |
| C11 | C10 | C9 | H18 | 59.5° | 60.0° |
| C11 | C10 | C9 | H19 | 60.6° | 60.0° |
| N3 | C11 | C10 | C9 | 58.9° | 180.0° |
| C11 | N3 | C16 | C15 | 176.8° | 176.8° |
| N3 | C11 | C10 | H1 | 60.5° | 60.0° |
| N3 | C11 | C10 | H2 | 178.3° | 60.0° |
| N3 | C11 | H3 | H4 | 118.9° | 120.0° |
| C11 | N3 | C12 | H5 | 73.9° | 63.2° |
| C11 | N3 | C12 | H6 | 47.2° | 56.9° |
| C11 | N3 | C16 | H15 | 63.9° | 56.9° |
| C11 | N3 | C16 | H16 | 57.5° | 63.3° |
| C29 | N8 | C17 | N2 | 176.7° | 180.0° |
| C13 | N4 | C14 | C15 | 114.7° | 123.8° |
| C13 | N4 | C15 | C16 | 58.7° | 59.3° |
| N4 | C13 | C12 | H5 | 53.5° | 61.6° |
| N4 | C13 | C12 | H6 | 174.5° | 178.3° |
| N4 | C13 | H7 | H8 | 121.1° | 120.0° |
| C13 | N4 | C14 | H10 | 180.0° | 60.0° |
| C13 | N4 | C14 | H11 | 60.0° | 180.0° |
| C13 | N4 | C14 | H12 | 60.0° | 60.0° |
| C13 | N4 | C15 | H13 | 61.9° | 60.7° |
| C13 | N4 | C15 | H14 | 179.2° | 179.3° |
| N8 | C17 | N2 | C9 | 173.8° | 171.1° |
| N8 | C17 | N2 | C8 | 1.2° | 8.9° |
| N8 | C17 | C18 | H28 | 177.5° | 180.0° |
| C17 | N8 | C29 | H29 | 178.9° | 180.0° |
| C17 | N2 | C9 | C10 | 78.0° | 90.0° |
| C17 | N2 | C9 | C8 | 172.8° | 180.0° |
| C17 | N2 | C8 | N1 | 10.7° | 174.8° |
| C17 | N2 | C8 | O3 | 177.4° | 5.2° |
| C17 | N2 | C9 | H18 | 42.0° | 150.1° |
| C17 | N2 | C9 | H19 | 162.1° | 30.0° |
| N2 | C17 | C18 | H28 | 3.7° | 0.3° |
| C10 | C9 | N2 | H18 | 119.9° | 120.0° |
| C10 | C9 | N2 | H19 | 119.9° | 120.0° |
| C10 | C9 | N2 | C8 | 94.8° | 90.0° |
| C9 | C10 | H1 | H2 | 121.7° | 120.0° |
| C9 | C10 | C11 | H3 | 61.4° | 60.0° |
| C9 | C10 | C11 | H4 | 179.3° | 59.9° |
| C10 | C9 | H18 | H19 | 120.1° | 120.0° |
| C9 | N2 | C8 | N1 | 176.5° | 5.2° |
| C9 | N2 | C8 | O3 | 4.6° | 174.8° |
| N2 | C9 | C10 | H1 | 61.1° | 60.0° |
| N2 | C9 | C10 | H2 | 60.0° | 60.0° |
| N2 | C9 | H18 | H19 | 120.2° | 120.0° |
| N3 | C16 | C15 | N4 | 57.0° | 58.4° |
| N3 | C16 | C15 | H15 | 119.3° | 120.0° |
| N3 | C16 | C15 | H16 | 119.3° | 120.0° |
| C16 | N3 | C11 | H3 | 170.9° | 173.8° |
| C16 | N3 | C11 | H4 | 51.6° | 53.8° |
| C16 | N3 | C12 | H5 | 51.0° | 60.6° |
| C16 | N3 | C12 | H6 | 172.0° | 179.3° |
| N3 | C16 | C15 | H13 | 63.6° | 61.6° |
| N3 | C16 | C15 | H14 | 177.5° | 178.4° |
| N3 | C16 | H15 | H16 | 122.0° | 120.1° |
| N2 | C8 | N1 | O3 | 171.9° | 180.0° |
| N2 | C8 | N1 | C7 | 179.5° | 174.4° |
| C8 | N2 | C9 | H18 | 145.2° | 30.0° |
| C8 | N2 | C9 | H19 | 25.1° | 150.0° |
| N2 | C8 | N1 | H20 | 0.5° | 5.6° |
| C14 | N4 | C15 | C16 | 178.8° | 176.8° |
| C14 | N4 | C13 | H7 | 50.8° | 63.2° |
| C14 | N4 | C13 | H8 | 69.9° | 56.8° |
| N4 | C14 | H10 | H11 | 120.0° | 120.0° |
| N4 | C14 | H10 | H12 | 120.0° | 120.0° |
| N4 | C14 | H11 | H12 | 120.0° | 120.0° |
| C14 | N4 | C15 | H13 | 60.7° | 63.1° |
| C14 | N4 | C15 | H14 | 58.2° | 56.8° |
| N4 | C15 | C16 | H13 | 120.6° | 120.0° |
| N4 | C15 | C16 | H14 | 120.6° | 120.0° |
| C15 | N4 | C13 | H7 | 58.9° | 60.6° |
| C15 | N4 | C13 | H8 | 179.6° | 179.3° |
| C15 | N4 | C14 | H10 | 65.3° | 176.2° |
| C15 | N4 | C14 | H11 | 54.7° | 56.2° |
| C15 | N4 | C14 | H12 | 174.7° | 63.8° |
| N4 | C15 | H13 | H14 | 118.3° | 120.0° |
| N4 | C15 | C16 | H15 | 62.3° | 178.4° |
| N4 | C15 | C16 | H16 | 176.3° | 61.6° |
| C16 | C15 | H13 | H14 | 118.3° | 120.1° |
| C15 | C16 | H15 | H16 | 122.0° | 120.0° |
| C8 | N1 | C7 | H20 | 180.0° | 179.9° |
| C8 | N1 | C7 | C6 | 85.8° | 127.1° |
| C8 | N1 | C7 | C30 | 102.3° | 52.6° |
| O3 | C8 | N1 | C7 | 7.6° | 5.6° |
| O3 | C8 | N1 | H20 | 172.4° | 174.4° |
| N1 | C7 | C6 | CL1 | 6.2° | 0.0° |
| N1 | C7 | C6 | C30 | 171.8° | 179.7° |
| N1 | C7 | C6 | C4 | 174.3° | 180.0° |
| N1 | C7 | C30 | CL2 | 9.0° | 0.0° |
| N1 | C7 | C30 | C2 | 176.0° | 180.0° |
| CL1 | C6 | C7 | C4 | 179.6° | 180.0° |
| CL1 | C6 | C7 | C30 | 178.0° | 179.7° |
| CL1 | C6 | C4 | O2 | 1.1° | 0.0° |
| CL1 | C6 | C4 | C3 | 179.6° | 180.0° |
| C6 | C7 | C30 | CL2 | 178.7° | 179.7° |
| C6 | C7 | C30 | C2 | 3.7° | 0.3° |
| C7 | C6 | C4 | O2 | 178.5° | 180.0° |
| C7 | C6 | C4 | C3 | 0.0° | 0.0° |
| C6 | C7 | N1 | H20 | 94.2° | 53.0° |
| C30 | C7 | C6 | C4 | 2.4° | 0.3° |
| C7 | C30 | CL2 | C2 | 175.2° | 180.0° |
| C7 | C30 | C2 | C3 | 2.4° | 0.0° |
| C7 | C30 | C2 | O1 | 180.0° | 180.0° |
| C30 | C7 | N1 | H20 | 77.7° | 127.3° |
| C6 | C4 | O2 | C3 | 178.5° | 180.0° |
| C6 | C4 | O2 | C5 | 177.7° | 180.0° |
| C6 | C4 | C3 | C2 | 1.3° | 0.3° |
| C6 | C4 | C3 | H24 | 178.8° | 180.0° |
| CL2 | C30 | C2 | C3 | 177.5° | 180.0° |
| CL2 | C30 | C2 | O1 | 4.9° | 0.0° |
| C30 | C2 | C3 | C4 | 0.1° | 0.3° |
| C30 | C2 | C3 | O1 | 177.3° | 179.9° |
| C30 | C2 | O1 | C1 | 173.2° | 180.0° |
| C30 | C2 | C3 | H24 | 180.0° | 180.0° |
| O2 | C4 | C3 | C2 | 179.6° | 179.7° |
| C4 | O2 | C5 | H21 | 180.0° | 60.0° |
| C4 | O2 | C5 | H22 | 60.0° | 60.0° |
| C4 | O2 | C5 | H23 | 60.0° | 180.0° |
| O2 | C4 | C3 | H24 | 0.4° | 0.0° |
| C3 | C4 | O2 | C5 | 3.9° | 0.0° |
| C4 | C3 | C2 | H24 | 180.0° | 179.7° |
| C4 | C3 | C2 | O1 | 177.2° | 179.7° |
| O2 | C5 | H21 | H22 | 120.0° | 120.0° |
| O2 | C5 | H21 | H23 | 120.0° | 120.1° |
| O2 | C5 | H22 | H23 | 120.0° | 120.0° |
| C3 | C2 | O1 | C1 | 4.2° | 0.0° |
| O1 | C2 | C3 | H24 | 2.8° | 0.0° |
| C2 | O1 | C1 | H25 | 180.0° | 60.0° |
| C2 | O1 | C1 | H26 | 60.0° | 179.9° |
| C2 | O1 | C1 | H27 | 60.0° | 60.1° |
| O1 | C1 | H25 | H26 | 120.0° | 120.0° |
| O1 | C1 | H25 | H27 | 120.0° | 120.0° |
| O1 | C1 | H26 | H27 | 120.0° | 120.0° |
| H1 | C10 | C11 | H3 | 179.1° | 60.0° |
| H1 | C10 | C11 | H4 | 59.8° | 179.9° |
| H1 | C10 | C9 | H18 | 178.9° | 180.0° |
| H1 | C10 | C9 | H19 | 58.8° | 60.0° |
| H2 | C10 | C11 | H3 | 58.0° | 180.0° |
| H2 | C10 | C11 | H4 | 61.3° | 60.1° |
| H2 | C10 | C9 | H18 | 60.0° | 60.0° |
| H2 | C10 | C9 | H19 | 180.0° | 179.9° |
| H5 | C12 | C13 | H7 | 173.1° | 178.5° |
| H5 | C12 | C13 | H8 | 66.2° | 58.3° |
| H6 | C12 | C13 | H7 | 65.8° | 58.4° |
| H6 | C12 | C13 | H8 | 54.8° | 61.7° |
| H10 | C14 | H11 | H12 | 120.0° | 120.1° |
| H13 | C15 | C16 | H15 | 177.1° | 58.4° |
| H13 | C15 | C16 | H16 | 55.7° | 178.4° |
| H14 | C15 | C16 | H15 | 58.2° | 61.6° |
| H14 | C15 | C16 | H16 | 63.2° | 58.4° |
| H21 | C5 | H22 | H23 | 120.0° | 120.0° |
| H25 | C1 | H26 | H27 | 120.0° | 120.0° |
| H31 | C21 | C22 | H32 | 1.3° | 0.0° |
| H32 | C22 | C23 | H33 | 0.4° | 0.0° |
| H33 | C23 | C24 | H34 | 1.7° | 0.0° |
| H36 | C27 | C28 | H38 | 0.0° | 0.0° |
| H36 | C27 | C28 | H39 | 180.0° | 180.0° |
