A1AWR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C29 | sing | 1.40Å | 1.32Å | |
| O1 | C15 | doub | 1.21Å | 1.23Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| CL1 | C4 | sing | 1.74Å | 1.73Å | |
| F2 | C29 | sing | 1.40Å | 1.32Å | |
| C29 | C25 | sing | 1.51Å | 1.50Å | |
| C29 | F4 | sing | 1.40Å | 1.32Å | |
| C26 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C11 | N6 | sing | 1.47Å | 1.47Å | |
| C15 | N6 | sing | 1.35Å | 1.36Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C25 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N5 | sing | 1.47Å | 1.46Å | |
| N6 | C12 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.39Å | Aromatic |
| C28 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.51Å | |
| C5 | C6 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.48Å | 1.49Å | |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C3 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.34Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| N5 | C13 | sing | 1.47Å | 1.48Å | |
| N5 | C9 | sing | 1.38Å | 1.40Å | |
| C6 | C9 | doub | 1.42Å | 1.43Å | Aromatic |
| C6 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C24 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | F1 | sing | 1.35Å | 1.36Å | |
| C7 | N3 | doub | 1.34Å | 1.37Å | Aromatic |
| N4 | C8 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| C8 | O2 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C20 | N7 | sing | 1.49Å | 1.47Å | |
| C21 | C22 | sing | 1.55Å | 1.52Å | |
| C22 | C19 | sing | 1.54Å | 1.53Å | |
| O2 | C18 | sing | 1.43Å | 1.43Å | |
| N7 | C19 | sing | 1.48Å | 1.48Å | |
| N7 | C23 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C29 | F2 | 103.1° | 109.5° |
| F3 | C29 | C25 | 113.2° | 109.5° |
| F3 | C29 | F4 | 105.6° | 109.5° |
| O1 | C15 | N6 | 121.3° | 120.0° |
| O1 | C15 | C16 | 120.2° | 120.0° |
| C27 | C26 | C25 | 121.8° | 120.7° |
| C27 | C26 | C28 | 119.1° | 120.7° |
| C26 | C27 | H32 | 109.5° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.5° |
| C26 | C27 | H31 | 109.4° | 109.5° |
| CL1 | C4 | C5 | 119.3° | 119.6° |
| CL1 | C4 | C3 | 119.6° | 119.6° |
| F2 | C29 | C25 | 114.5° | 109.4° |
| F2 | C29 | F4 | 106.3° | 109.5° |
| C25 | C29 | F4 | 113.1° | 109.5° |
| C29 | C25 | C26 | 120.1° | 120.4° |
| C29 | C25 | C2 | 121.8° | 120.3° |
| C25 | C26 | C28 | 119.1° | 118.6° |
| C26 | C25 | C2 | 118.1° | 119.2° |
| C26 | C28 | C1 | 119.4° | 119.3° |
| C26 | C28 | H34 | 120.3° | 120.4° |
| C10 | C11 | N6 | 111.5° | 108.5° |
| C11 | C10 | N5 | 110.8° | 109.4° |
| C10 | C11 | H6 | 109.0° | 109.6° |
| C10 | C11 | H7 | 108.9° | 109.7° |
| C11 | C10 | H4 | 109.1° | 109.4° |
| C11 | C10 | H5 | 109.1° | 109.4° |
| C11 | N6 | C15 | 121.3° | 120.9° |
| C11 | N6 | C12 | 113.4° | 118.2° |
| N6 | C11 | H6 | 109.0° | 109.6° |
| N6 | C11 | H7 | 109.0° | 109.6° |
| N6 | C15 | C16 | 118.5° | 120.0° |
| C15 | N6 | C12 | 125.3° | 120.9° |
| C15 | C16 | C17 | 112.9° | 109.5° |
| C15 | C16 | H14 | 108.6° | 109.5° |
| C15 | C16 | H15 | 108.6° | 109.5° |
| C25 | C2 | C3 | 125.1° | 119.7° |
| C25 | C2 | N2 | 122.5° | 120.6° |
| C10 | N5 | C13 | 114.7° | 111.3° |
| C10 | N5 | C9 | 123.7° | 111.0° |
| N5 | C10 | H4 | 109.1° | 109.5° |
| N5 | C10 | H5 | 109.1° | 109.5° |
| N6 | C12 | C13 | 109.4° | 108.5° |
| N6 | C12 | H8 | 109.5° | 109.6° |
| N6 | C12 | H9 | 109.5° | 109.8° |
| C5 | C4 | C3 | 121.1° | 120.8° |
| C4 | C5 | C6 | 120.5° | 119.9° |
| C4 | C5 | H3 | 119.7° | 120.1° |
| C4 | C3 | C2 | 121.7° | 119.8° |
| C4 | C3 | C24 | 119.7° | 120.5° |
| C28 | C1 | N2 | 121.2° | 120.7° |
| C28 | C1 | N1 | 121.8° | 119.6° |
| C1 | C28 | H34 | 120.3° | 120.3° |
| C17 | C16 | H14 | 108.6° | 109.5° |
| C17 | C16 | H15 | 108.6° | 109.4° |
| C16 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | H18 | 109.5° | 109.4° |
| C16 | C17 | H16 | 109.5° | 109.5° |
| C5 | C6 | C9 | 124.6° | 121.8° |
| C5 | C6 | C7 | 118.9° | 120.0° |
| C6 | C5 | H3 | 119.8° | 120.0° |
| C3 | C2 | N2 | 112.4° | 119.7° |
| C2 | C3 | C24 | 118.7° | 119.7° |
| C2 | N2 | C1 | 119.7° | 121.5° |
| C3 | C24 | C7 | 120.4° | 119.4° |
| C3 | C24 | F1 | 120.3° | 120.3° |
| N2 | C1 | N1 | 117.0° | 119.6° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.1° |
| C12 | C13 | N5 | 108.7° | 109.4° |
| C12 | C13 | C14 | 112.1° | 109.5° |
| C13 | C12 | H8 | 109.5° | 109.6° |
| C13 | C12 | H9 | 109.5° | 109.7° |
| C12 | C13 | H10 | 107.7° | 109.5° |
| C13 | N5 | C9 | 121.5° | 111.0° |
| N5 | C13 | C14 | 112.1° | 109.5° |
| N5 | C13 | H10 | 108.3° | 109.5° |
| N5 | C9 | C6 | 123.0° | 120.8° |
| N5 | C9 | N4 | 116.7° | 120.8° |
| C9 | C6 | C7 | 116.6° | 118.2° |
| C6 | C9 | N4 | 120.2° | 118.4° |
| C6 | C7 | C24 | 119.5° | 119.4° |
| C6 | C7 | N3 | 121.0° | 118.8° |
| C13 | C14 | H12 | 109.5° | 109.5° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H11 | 109.5° | 109.5° |
| C14 | C13 | H10 | 107.8° | 109.5° |
| C9 | N4 | C8 | 119.0° | 121.4° |
| C7 | C24 | F1 | 119.3° | 120.3° |
| C24 | C7 | N3 | 119.5° | 121.8° |
| C7 | N3 | C8 | 117.3° | 120.4° |
| N4 | C8 | N3 | 125.9° | 122.8° |
| N4 | C8 | O2 | 116.5° | 118.6° |
| N3 | C8 | O2 | 117.6° | 118.6° |
| C8 | O2 | C18 | 118.6° | 117.0° |
| C21 | C20 | N7 | 104.7° | 103.2° |
| C20 | C21 | C22 | 103.1° | 102.9° |
| C20 | C21 | H24 | 111.0° | 110.7° |
| C20 | C21 | H25 | 111.1° | 110.9° |
| C21 | C20 | H23 | 110.6° | 110.7° |
| C21 | C20 | H22 | 110.6° | 110.6° |
| C20 | N7 | C19 | 109.8° | 105.8° |
| C20 | N7 | C23 | 113.2° | 111.0° |
| N7 | C20 | H23 | 110.6° | 110.7° |
| N7 | C20 | H22 | 110.6° | 110.6° |
| C21 | C22 | C19 | 100.8° | 105.1° |
| C22 | C21 | H24 | 111.1° | 110.8° |
| C22 | C21 | H25 | 111.0° | 110.7° |
| C21 | C22 | H27 | 111.6° | 110.3° |
| C21 | C22 | H26 | 111.6° | 110.2° |
| C22 | C19 | N7 | 102.1° | 107.1° |
| C22 | C19 | C18 | 115.4° | 109.9° |
| C19 | C22 | H27 | 111.6° | 110.3° |
| C19 | C22 | H26 | 111.6° | 110.3° |
| C22 | C19 | H21 | 108.4° | 109.9° |
| O2 | C18 | C19 | 108.9° | 109.4° |
| O2 | C18 | H19 | 109.6° | 109.5° |
| O2 | C18 | H20 | 109.6° | 109.5° |
| C19 | N7 | C23 | 113.8° | 111.0° |
| N7 | C19 | C18 | 112.7° | 109.9° |
| N7 | C19 | H21 | 109.1° | 109.9° |
| N7 | C23 | H29 | 109.5° | 109.5° |
| N7 | C23 | H30 | 109.4° | 109.4° |
| N7 | C23 | H28 | 109.5° | 109.5° |
| C18 | C19 | H21 | 108.8° | 110.0° |
| C19 | C18 | H19 | 109.6° | 109.4° |
| C19 | C18 | H20 | 109.6° | 109.5° |
| H2 | N1 | H1 | 109.5° | 120.0° |
| H6 | C11 | H7 | 109.5° | 109.8° |
| H8 | C12 | H9 | 109.5° | 109.6° |
| H24 | C21 | H25 | 109.5° | 110.6° |
| H27 | C22 | H26 | 109.5° | 110.4° |
| H4 | C10 | H5 | 109.5° | 109.6° |
| H12 | C14 | H13 | 109.4° | 109.4° |
| H12 | C14 | H11 | 109.4° | 109.5° |
| H13 | C14 | H11 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.4° | 109.4° |
| H17 | C17 | H16 | 109.4° | 109.5° |
| H18 | C17 | H16 | 109.5° | 109.5° |
| H23 | C20 | H22 | 109.5° | 110.7° |
| H32 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H31 | 109.5° | 109.4° |
| H33 | C27 | H31 | 109.5° | 109.4° |
| H29 | C23 | H30 | 109.5° | 109.4° |
| H29 | C23 | H28 | 109.4° | 109.5° |
| H30 | C23 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C29 | F2 | C25 | 123.5° | 120.0° |
| F3 | C29 | F2 | F4 | 110.8° | 120.0° |
| F3 | C29 | C25 | F4 | 120.1° | 120.0° |
| F3 | C29 | C25 | C26 | 39.1° | 89.4° |
| F3 | C29 | C25 | C2 | 141.1° | 90.5° |
| O1 | C15 | N6 | C11 | 23.1° | 180.0° |
| O1 | C15 | N6 | C16 | 179.0° | 180.0° |
| O1 | C15 | N6 | C12 | 158.8° | 0.0° |
| O1 | C15 | C16 | C17 | 19.6° | 0.0° |
| O1 | C15 | C16 | H14 | 100.9° | 120.0° |
| O1 | C15 | C16 | H15 | 140.2° | 120.0° |
| C27 | C26 | C25 | C29 | 0.1° | 0.1° |
| C27 | C26 | C25 | C28 | 179.5° | 179.9° |
| C27 | C26 | C25 | C2 | 179.7° | 180.0° |
| C27 | C26 | C28 | C1 | 179.6° | 179.7° |
| C26 | C27 | H32 | H33 | 120.0° | 120.1° |
| C26 | C27 | H32 | H31 | 120.0° | 120.0° |
| C26 | C27 | H33 | H31 | 120.0° | 120.0° |
| C27 | C26 | C28 | H34 | 0.4° | 0.0° |
| CL1 | C4 | C5 | C3 | 179.3° | 180.0° |
| CL1 | C4 | C5 | C6 | 179.9° | 179.9° |
| CL1 | C4 | C3 | C2 | 1.4° | 0.1° |
| CL1 | C4 | C3 | C24 | 179.7° | 179.7° |
| CL1 | C4 | C5 | H3 | 0.1° | 0.0° |
| F2 | C29 | C25 | F4 | 122.1° | 120.0° |
| F2 | C29 | C25 | C26 | 156.9° | 30.6° |
| F2 | C29 | C25 | C2 | 23.2° | 149.5° |
| C29 | C25 | C26 | C2 | 179.8° | 179.9° |
| C29 | C25 | C26 | C28 | 179.6° | 180.0° |
| C29 | C25 | C2 | C3 | 0.4° | 0.0° |
| C29 | C25 | C2 | N2 | 179.4° | 179.7° |
| F4 | C29 | C25 | C26 | 81.0° | 150.6° |
| F4 | C29 | C25 | C2 | 98.8° | 29.5° |
| C25 | C26 | C28 | C1 | 0.1° | 0.2° |
| C26 | C25 | C2 | C3 | 179.4° | 180.0° |
| C26 | C25 | C2 | N2 | 0.4° | 0.4° |
| C25 | C26 | C27 | H32 | 89.7° | 84.0° |
| C25 | C26 | C27 | H33 | 150.2° | 155.9° |
| C25 | C26 | C27 | H31 | 30.3° | 35.9° |
| C25 | C26 | C28 | H34 | 179.9° | 179.9° |
| C28 | C26 | C25 | C2 | 0.2° | 0.1° |
| C26 | C28 | C1 | H34 | 180.0° | 179.7° |
| C26 | C28 | C1 | N2 | 0.0° | 0.2° |
| C26 | C28 | C1 | N1 | 179.8° | 179.7° |
| C28 | C26 | C27 | H32 | 89.8° | 95.9° |
| C28 | C26 | C27 | H33 | 30.3° | 24.1° |
| C28 | C26 | C27 | H31 | 150.2° | 144.1° |
| C10 | C11 | N6 | H6 | 120.3° | 119.7° |
| C10 | C11 | N6 | H7 | 120.3° | 119.8° |
| C10 | C11 | N6 | C15 | 166.1° | 128.8° |
| C11 | C10 | N5 | H4 | 120.2° | 119.9° |
| C11 | C10 | N5 | H5 | 120.2° | 119.9° |
| C10 | C11 | N6 | C12 | 15.6° | 51.1° |
| C11 | C10 | N5 | C13 | 37.9° | 63.1° |
| C11 | C10 | N5 | C9 | 140.5° | 172.7° |
| C10 | C11 | H6 | H7 | 119.1° | 120.6° |
| C11 | C10 | H4 | H5 | 119.4° | 120.0° |
| C11 | N6 | C15 | C12 | 178.1° | 180.0° |
| C11 | N6 | C15 | C16 | 155.9° | 0.0° |
| N6 | C11 | C10 | N5 | 59.1° | 53.8° |
| C11 | N6 | C12 | C13 | 44.4° | 51.1° |
| N6 | C11 | H6 | H7 | 119.1° | 120.5° |
| C11 | N6 | C12 | H8 | 164.4° | 68.5° |
| C11 | N6 | C12 | H9 | 75.6° | 171.0° |
| N6 | C11 | C10 | H4 | 61.1° | 66.2° |
| N6 | C11 | C10 | H5 | 179.2° | 173.8° |
| N6 | C15 | C16 | C17 | 159.4° | 180.0° |
| C15 | N6 | C12 | C13 | 133.9° | 128.8° |
| C15 | N6 | C11 | H6 | 73.6° | 111.5° |
| C15 | N6 | C11 | H7 | 45.9° | 9.1° |
| C15 | N6 | C12 | H8 | 13.9° | 111.5° |
| C15 | N6 | C12 | H9 | 106.2° | 9.0° |
| N6 | C15 | C16 | H14 | 80.1° | 60.0° |
| N6 | C15 | C16 | H15 | 38.8° | 60.0° |
| C16 | C15 | N6 | C12 | 22.2° | 180.0° |
| C15 | C16 | C17 | H14 | 120.5° | 120.0° |
| C15 | C16 | C17 | H15 | 120.5° | 120.0° |
| C15 | C16 | H14 | H15 | 118.4° | 120.0° |
| C15 | C16 | C17 | H17 | 180.0° | 60.0° |
| C15 | C16 | C17 | H18 | 60.0° | 60.0° |
| C15 | C16 | C17 | H16 | 60.0° | 180.0° |
| C25 | C2 | C3 | C4 | 86.9° | 113.1° |
| C25 | C2 | C3 | N2 | 179.1° | 179.6° |
| C25 | C2 | C3 | C24 | 94.8° | 66.6° |
| C25 | C2 | N2 | C1 | 0.4° | 0.4° |
| C10 | N5 | C13 | C12 | 21.3° | 63.1° |
| C10 | N5 | C13 | C9 | 178.4° | 124.2° |
| C10 | N5 | C9 | C6 | 47.2° | 116.9° |
| C10 | N5 | C13 | C14 | 103.2° | 176.9° |
| C10 | N5 | C9 | N4 | 133.3° | 63.2° |
| N5 | C10 | C11 | H6 | 61.3° | 65.8° |
| N5 | C10 | C11 | H7 | 179.4° | 173.6° |
| N5 | C10 | H4 | H5 | 119.4° | 120.2° |
| C10 | N5 | C13 | H10 | 138.0° | 56.9° |
| N6 | C12 | C13 | H8 | 120.0° | 119.7° |
| N6 | C12 | C13 | H9 | 120.0° | 119.9° |
| N6 | C12 | C13 | N5 | 64.8° | 53.8° |
| N6 | C12 | C13 | C14 | 59.7° | 173.8° |
| C12 | N6 | C11 | H6 | 104.8° | 68.5° |
| C12 | N6 | C11 | H7 | 135.8° | 170.9° |
| N6 | C12 | H8 | H9 | 120.1° | 120.6° |
| N6 | C12 | C13 | H10 | 178.1° | 66.2° |
| C4 | C5 | C6 | H3 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 179.4° | 180.0° |
| C5 | C4 | C3 | C24 | 1.0° | 0.3° |
| C4 | C5 | C6 | C9 | 179.8° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C2 | C24 | 178.3° | 179.7° |
| C4 | C3 | C2 | N2 | 94.1° | 66.6° |
| C4 | C3 | C24 | C7 | 0.9° | 0.6° |
| C4 | C3 | C24 | F1 | 179.5° | 179.7° |
| C3 | C4 | C5 | H3 | 179.4° | 179.9° |
| C28 | C1 | N2 | C2 | 0.2° | 0.1° |
| C28 | C1 | N2 | N1 | 179.9° | 180.0° |
| C28 | C1 | N1 | H2 | 179.9° | 180.0° |
| C28 | C1 | N1 | H1 | 59.9° | 0.2° |
| C17 | C16 | H14 | H15 | 118.4° | 119.9° |
| C16 | C17 | H17 | H18 | 120.0° | 119.9° |
| C16 | C17 | H17 | H16 | 120.0° | 120.0° |
| C16 | C17 | H18 | H16 | 120.0° | 120.0° |
| C5 | C6 | C9 | N5 | 0.2° | 0.1° |
| C5 | C6 | C9 | C7 | 179.8° | 180.0° |
| C5 | C6 | C9 | N4 | 179.7° | 180.0° |
| C5 | C6 | C7 | C24 | 0.1° | 0.3° |
| C5 | C6 | C7 | N3 | 179.9° | 180.0° |
| C3 | C2 | N2 | C1 | 179.5° | 180.0° |
| C2 | C3 | C24 | C7 | 179.2° | 179.7° |
| C2 | C3 | C24 | F1 | 1.1° | 0.0° |
| N2 | C2 | C3 | C24 | 84.3° | 113.8° |
| C2 | N2 | C1 | N1 | 179.7° | 180.0° |
| C3 | C24 | C7 | C6 | 0.3° | 0.6° |
| C3 | C24 | C7 | F1 | 179.7° | 179.7° |
| C3 | C24 | C7 | N3 | 179.7° | 179.8° |
| N2 | C1 | N1 | H2 | 0.0° | 0.0° |
| N2 | C1 | N1 | H1 | 120.0° | 179.8° |
| N2 | C1 | C28 | H34 | 179.9° | 180.0° |
| C1 | N1 | H2 | H1 | 120.0° | 179.8° |
| N1 | C1 | C28 | H34 | 0.2° | 0.0° |
| C12 | C13 | N5 | C14 | 124.5° | 120.0° |
| C12 | C13 | N5 | H10 | 116.8° | 120.0° |
| C12 | C13 | N5 | C9 | 160.3° | 172.7° |
| C12 | C13 | C14 | H10 | 118.4° | 120.0° |
| C13 | C12 | H8 | H9 | 120.0° | 120.4° |
| C12 | C13 | C14 | H12 | 180.0° | 55.0° |
| C12 | C13 | C14 | H13 | 60.0° | 174.9° |
| C12 | C13 | C14 | H11 | 60.0° | 65.0° |
| C13 | N5 | C9 | C6 | 134.5° | 118.8° |
| N5 | C13 | C14 | H10 | 119.1° | 120.1° |
| C13 | N5 | C9 | N4 | 45.0° | 61.1° |
| N5 | C13 | C12 | H8 | 175.3° | 65.9° |
| N5 | C13 | C12 | H9 | 55.2° | 173.7° |
| C13 | N5 | C10 | H4 | 82.3° | 56.8° |
| C13 | N5 | C10 | H5 | 158.1° | 177.0° |
| N5 | C13 | C14 | H12 | 57.5° | 174.9° |
| N5 | C13 | C14 | H13 | 62.5° | 65.2° |
| N5 | C13 | C14 | H11 | 177.4° | 54.9° |
| N5 | C9 | C6 | N4 | 179.5° | 179.9° |
| N5 | C9 | C6 | C7 | 179.7° | 179.9° |
| C9 | N5 | C13 | C14 | 75.2° | 52.8° |
| N5 | C9 | N4 | C8 | 179.6° | 180.0° |
| C9 | N5 | C10 | H4 | 99.3° | 67.4° |
| C9 | N5 | C10 | H5 | 20.3° | 52.8° |
| C9 | N5 | C13 | H10 | 43.5° | 67.3° |
| C9 | C6 | C7 | C24 | 180.0° | 179.7° |
| C9 | C6 | C7 | N3 | 0.0° | 0.0° |
| C6 | C9 | N4 | C8 | 0.0° | 0.0° |
| C9 | C6 | C5 | H3 | 0.2° | 0.1° |
| C7 | C6 | C9 | N4 | 0.2° | 0.0° |
| C6 | C7 | C24 | N3 | 180.0° | 179.6° |
| C6 | C7 | C24 | F1 | 179.9° | 179.7° |
| C6 | C7 | N3 | C8 | 0.3° | 0.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C14 | C13 | C12 | H8 | 60.3° | 54.1° |
| C14 | C13 | C12 | H9 | 179.7° | 66.3° |
| C13 | C14 | H12 | H13 | 120.0° | 120.0° |
| C13 | C14 | H12 | H11 | 120.0° | 120.0° |
| C13 | C14 | H13 | H11 | 120.0° | 120.1° |
| C9 | N4 | C8 | N3 | 0.4° | 0.0° |
| C9 | N4 | C8 | O2 | 179.6° | 180.0° |
| C24 | C7 | N3 | C8 | 179.6° | 179.7° |
| F1 | C24 | C7 | N3 | 0.1° | 0.1° |
| C7 | N3 | C8 | N4 | 0.6° | 0.0° |
| C7 | N3 | C8 | O2 | 179.7° | 180.0° |
| N4 | C8 | N3 | O2 | 179.2° | 180.0° |
| N4 | C8 | O2 | C18 | 159.2° | 180.0° |
| N3 | C8 | O2 | C18 | 21.6° | 0.0° |
| C8 | O2 | C18 | C19 | 85.3° | 180.0° |
| C8 | O2 | C18 | H19 | 154.7° | 60.1° |
| C8 | O2 | C18 | H20 | 34.6° | 60.0° |
| C21 | C20 | N7 | H23 | 119.2° | 118.5° |
| C21 | C20 | N7 | H22 | 119.2° | 118.4° |
| C20 | C21 | C22 | H24 | 119.0° | 118.4° |
| C20 | C21 | C22 | H25 | 119.0° | 118.5° |
| C20 | C21 | C22 | C19 | 42.2° | 22.0° |
| C21 | C20 | N7 | C19 | 0.9° | 39.2° |
| C21 | C20 | N7 | C23 | 127.4° | 159.7° |
| C20 | C21 | H24 | H25 | 123.0° | 123.3° |
| C20 | C21 | C22 | H27 | 160.8° | 97.0° |
| C20 | C21 | C22 | H26 | 76.4° | 140.9° |
| C21 | C20 | H23 | H22 | 122.2° | 123.1° |
| N7 | C20 | C21 | C22 | 27.2° | 37.4° |
| C20 | N7 | C19 | C22 | 25.5° | 25.3° |
| C20 | N7 | C19 | C23 | 128.0° | 120.5° |
| C20 | N7 | C19 | C18 | 149.8° | 144.6° |
| N7 | C20 | C21 | H24 | 91.8° | 81.0° |
| N7 | C20 | C21 | H25 | 146.1° | 155.8° |
| C20 | N7 | C19 | H21 | 89.2° | 94.1° |
| N7 | C20 | H23 | H22 | 122.2° | 123.1° |
| C20 | N7 | C23 | H29 | 180.0° | 177.5° |
| C20 | N7 | C23 | H30 | 60.0° | 62.6° |
| C20 | N7 | C23 | H28 | 60.0° | 57.4° |
| C21 | C22 | C19 | H27 | 118.6° | 118.9° |
| C21 | C22 | C19 | H26 | 118.6° | 118.9° |
| C21 | C22 | C19 | N7 | 41.1° | 1.2° |
| C21 | C22 | C19 | C18 | 163.7° | 120.5° |
| C22 | C21 | H24 | H25 | 123.0° | 123.1° |
| C21 | C22 | H27 | H26 | 124.1° | 122.1° |
| C21 | C22 | C19 | H21 | 74.0° | 118.2° |
| C22 | C21 | C20 | H23 | 92.0° | 155.9° |
| C22 | C21 | C20 | H22 | 146.4° | 80.9° |
| C22 | C19 | C18 | O2 | 11.7° | 175.0° |
| C22 | C19 | N7 | C18 | 124.4° | 119.3° |
| C22 | C19 | N7 | H21 | 114.7° | 119.4° |
| C22 | C19 | N7 | C23 | 153.5° | 145.9° |
| C22 | C19 | C18 | H21 | 122.1° | 121.2° |
| C19 | C22 | C21 | H24 | 76.8° | 96.4° |
| C19 | C22 | C21 | H25 | 161.2° | 140.5° |
| C19 | C22 | H27 | H26 | 124.0° | 122.2° |
| C22 | C19 | C18 | H19 | 108.2° | 65.0° |
| C22 | C19 | C18 | H20 | 131.6° | 55.0° |
| O2 | C18 | C19 | N7 | 105.1° | 67.4° |
| O2 | C18 | C19 | H19 | 119.9° | 119.9° |
| O2 | C18 | C19 | H20 | 119.9° | 120.1° |
| O2 | C18 | C19 | H21 | 133.8° | 53.8° |
| O2 | C18 | H19 | H20 | 120.2° | 120.1° |
| N7 | C19 | C18 | H21 | 121.2° | 121.2° |
| N7 | C19 | C22 | H27 | 159.7° | 120.1° |
| N7 | C19 | C22 | H26 | 77.4° | 117.6° |
| N7 | C19 | C18 | H19 | 135.0° | 52.5° |
| N7 | C19 | C18 | H20 | 14.8° | 172.5° |
| C19 | N7 | C20 | H23 | 118.3° | 157.7° |
| C19 | N7 | C20 | H22 | 120.2° | 79.2° |
| C19 | N7 | C23 | H29 | 53.7° | 60.1° |
| C19 | N7 | C23 | H30 | 173.7° | 180.0° |
| C19 | N7 | C23 | H28 | 66.3° | 60.0° |
| C23 | N7 | C19 | C18 | 82.1° | 94.8° |
| C23 | N7 | C19 | H21 | 38.8° | 26.5° |
| C23 | N7 | C20 | H23 | 113.3° | 81.8° |
| C23 | N7 | C20 | H22 | 8.2° | 41.3° |
| N7 | C23 | H29 | H30 | 120.0° | 119.9° |
| N7 | C23 | H29 | H28 | 120.0° | 120.0° |
| N7 | C23 | H30 | H28 | 120.0° | 120.0° |
| C18 | C19 | C22 | H27 | 77.7° | 120.5° |
| C18 | C19 | C22 | H26 | 45.1° | 1.7° |
| C19 | C18 | H19 | H20 | 120.3° | 120.0° |
| H6 | C11 | C10 | H4 | 178.5° | 174.2° |
| H6 | C11 | C10 | H5 | 58.9° | 54.2° |
| H7 | C11 | C10 | H4 | 59.2° | 53.6° |
| H7 | C11 | C10 | H5 | 60.4° | 66.5° |
| H8 | C12 | C13 | H10 | 58.1° | 174.2° |
| H9 | C12 | C13 | H10 | 61.9° | 53.8° |
| H24 | C21 | C22 | H27 | 41.8° | 144.7° |
| H24 | C21 | C22 | H26 | 164.7° | 22.5° |
| H24 | C21 | C20 | H23 | 149.0° | 37.5° |
| H24 | C21 | C20 | H22 | 27.4° | 160.6° |
| H25 | C21 | C22 | H27 | 80.3° | 21.5° |
| H25 | C21 | C22 | H26 | 42.6° | 100.6° |
| H25 | C21 | C20 | H23 | 26.9° | 85.7° |
| H25 | C21 | C20 | H22 | 94.6° | 37.4° |
| H27 | C22 | C19 | H21 | 44.5° | 0.7° |
| H26 | C22 | C19 | H21 | 167.4° | 123.0° |
| H12 | C14 | H13 | H11 | 119.9° | 120.0° |
| H12 | C14 | C13 | H10 | 61.6° | 65.0° |
| H13 | C14 | C13 | H10 | 178.4° | 54.9° |
| H11 | C14 | C13 | H10 | 58.4° | 175.0° |
| H14 | C16 | C17 | H17 | 59.5° | 180.0° |
| H14 | C16 | C17 | H18 | 179.4° | 60.1° |
| H14 | C16 | C17 | H16 | 60.5° | 60.0° |
| H15 | C16 | C17 | H17 | 59.5° | 60.1° |
| H15 | C16 | C17 | H18 | 60.5° | 180.0° |
| H15 | C16 | C17 | H16 | 179.5° | 60.0° |
| H21 | C19 | C18 | H19 | 13.9° | 173.8° |
| H21 | C19 | C18 | H20 | 106.3° | 66.2° |
| H17 | C17 | H18 | H16 | 120.0° | 120.0° |
| H32 | C27 | H33 | H31 | 120.0° | 119.9° |
| H29 | C23 | H30 | H28 | 120.0° | 120.1° |
