A1CSK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | O1 | doub | 1.22Å | 1.24Å | |
| C7 | N1 | sing | 1.35Å | 1.33Å | |
| C5 | O2 | sing | 1.36Å | 1.38Å | |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C2 | F1 | sing | 1.35Å | 1.37Å | |
| N1 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N2 | sing | 1.40Å | 1.42Å | |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| N3 | C16 | doub | 1.31Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C18 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | O3 | doub | 1.22Å | 1.26Å | |
| C19 | N4 | sing | 1.35Å | 1.32Å | |
| C17 | N5 | sing | 1.39Å | 1.40Å | |
| N5 | C20 | sing | 1.39Å | 1.38Å | |
| C20 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| N6 | C21 | sing | 1.32Å | 1.34Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N7 | sing | 1.40Å | 1.39Å | |
| N7 | C25 | sing | 1.47Å | 1.48Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | N8 | sing | 1.47Å | 1.47Å | |
| N8 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| N7 | C28 | sing | 1.47Å | 1.47Å | |
| C25 | C29 | sing | 1.53Å | 1.53Å | |
| N8 | C30 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | sing | 1.54Å | 1.56Å | |
| C31 | O4 | sing | 1.44Å | 1.46Å | |
| O4 | C32 | sing | 1.44Å | 1.46Å | |
| C30 | C32 | sing | 1.54Å | 1.56Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| N5 | H17 | sing | 0.97Å | 1.00Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| C32 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 122.8° | 120.3° |
| C2 | C1 | C6 | 119.5° | 119.9° |
| C1 | C2 | F1 | 118.0° | 119.9° |
| C2 | C1 | H1 | 120.3° | 120.1° |
| C2 | C3 | C4 | 118.3° | 120.4° |
| C3 | C2 | F1 | 119.2° | 119.8° |
| C2 | C3 | H2 | 120.9° | 119.9° |
| C3 | C4 | C5 | 121.1° | 120.1° |
| C4 | C3 | H2 | 120.9° | 119.8° |
| C3 | C4 | H3 | 119.5° | 120.0° |
| C4 | C5 | C6 | 119.5° | 119.8° |
| C4 | C5 | O2 | 123.0° | 120.1° |
| C5 | C4 | H3 | 119.4° | 119.9° |
| C5 | C6 | C1 | 118.8° | 119.6° |
| C5 | C6 | C7 | 125.5° | 120.2° |
| C6 | C5 | O2 | 117.5° | 120.1° |
| C1 | C6 | C7 | 115.6° | 120.2° |
| C6 | C1 | H1 | 120.3° | 120.0° |
| C6 | C7 | O1 | 119.4° | 120.0° |
| C6 | C7 | N1 | 117.8° | 120.0° |
| O1 | C7 | N1 | 122.4° | 120.0° |
| C7 | N1 | C9 | 120.8° | 120.0° |
| C7 | N1 | H4 | 119.6° | 120.0° |
| C5 | O2 | C8 | 118.4° | 117.0° |
| O2 | C8 | H5 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| N1 | C9 | C10 | 114.6° | 109.5° |
| C9 | N1 | H4 | 119.6° | 120.0° |
| N1 | C9 | H8 | 108.2° | 109.5° |
| N1 | C9 | H9 | 108.2° | 109.5° |
| C9 | C10 | C11 | 119.9° | 119.9° |
| C9 | C10 | C15 | 120.9° | 120.0° |
| C10 | C9 | H8 | 108.2° | 109.5° |
| C10 | C9 | H9 | 108.2° | 109.4° |
| C10 | C11 | C12 | 121.1° | 120.1° |
| C11 | C10 | C15 | 119.1° | 120.1° |
| C10 | C11 | H10 | 119.5° | 119.9° |
| C11 | C12 | C13 | 118.8° | 119.9° |
| C12 | C11 | H10 | 119.5° | 120.0° |
| C11 | C12 | H11 | 120.6° | 120.1° |
| C12 | C13 | C14 | 120.9° | 119.9° |
| C12 | C13 | N2 | 121.0° | 120.1° |
| C13 | C12 | H11 | 120.6° | 120.0° |
| C13 | C14 | C15 | 119.1° | 119.9° |
| C14 | C13 | N2 | 117.5° | 120.0° |
| C13 | C14 | H12 | 120.4° | 120.1° |
| C14 | C15 | C10 | 120.9° | 120.1° |
| C15 | C14 | H12 | 120.5° | 120.0° |
| C14 | C15 | H13 | 119.6° | 120.0° |
| C10 | C15 | H13 | 119.5° | 119.9° |
| C13 | N2 | N3 | 117.5° | 126.1° |
| C13 | N2 | C18 | 131.1° | 126.1° |
| N2 | N3 | C16 | 107.0° | 109.0° |
| N3 | N2 | C18 | 110.6° | 107.8° |
| N3 | C16 | C17 | 109.8° | 108.9° |
| N3 | C16 | H14 | 125.1° | 125.5° |
| C16 | C17 | C18 | 106.6° | 107.5° |
| C16 | C17 | N5 | 129.9° | 126.3° |
| C17 | C16 | H14 | 125.1° | 125.6° |
| C17 | C18 | N2 | 106.0° | 106.8° |
| C17 | C18 | C19 | 128.4° | 126.6° |
| C18 | C17 | N5 | 123.4° | 126.3° |
| N2 | C18 | C19 | 125.3° | 126.7° |
| C18 | C19 | O3 | 124.3° | 120.0° |
| C18 | C19 | N4 | 114.4° | 120.0° |
| O3 | C19 | N4 | 120.9° | 120.0° |
| C19 | N4 | H15 | 120.0° | 120.0° |
| C19 | N4 | H16 | 120.0° | 120.1° |
| C17 | N5 | C20 | 129.5° | 120.0° |
| C17 | N5 | H17 | 115.3° | 120.0° |
| N5 | C20 | N6 | 116.0° | 119.7° |
| N5 | C20 | C24 | 121.1° | 119.6° |
| C20 | N5 | H17 | 115.3° | 120.0° |
| C20 | N6 | C21 | 118.1° | 121.7° |
| N6 | C20 | C24 | 122.9° | 120.7° |
| N6 | C21 | C22 | 122.7° | 120.7° |
| N6 | C21 | H18 | 118.6° | 119.6° |
| C21 | C22 | C23 | 118.1° | 119.2° |
| C21 | C22 | N7 | 121.7° | 120.4° |
| C22 | C21 | H18 | 118.7° | 119.7° |
| C22 | C23 | C24 | 120.1° | 118.4° |
| C23 | C22 | N7 | 119.5° | 120.4° |
| C22 | C23 | H19 | 120.0° | 120.8° |
| C23 | C24 | C20 | 118.0° | 119.2° |
| C24 | C23 | H19 | 119.9° | 120.8° |
| C23 | C24 | H20 | 121.0° | 120.4° |
| C20 | C24 | H20 | 121.0° | 120.4° |
| C22 | N7 | C25 | 118.2° | 111.0° |
| C22 | N7 | C28 | 117.4° | 111.0° |
| N7 | C25 | C26 | 109.4° | 109.4° |
| C25 | N7 | C28 | 118.0° | 110.9° |
| N7 | C25 | C29 | 113.8° | 109.5° |
| N7 | C25 | H21 | 107.8° | 109.5° |
| C25 | C26 | N8 | 110.2° | 109.4° |
| C26 | C25 | C29 | 111.3° | 109.5° |
| C26 | C25 | H21 | 107.2° | 109.5° |
| C25 | C26 | H22 | 109.3° | 109.5° |
| C25 | C26 | H23 | 109.3° | 109.5° |
| C26 | N8 | C27 | 109.1° | 110.9° |
| C26 | N8 | C30 | 104.4° | 111.0° |
| N8 | C26 | H22 | 109.3° | 109.5° |
| N8 | C26 | H23 | 109.3° | 109.5° |
| N8 | C27 | C28 | 111.7° | 109.4° |
| C27 | N8 | C30 | 106.2° | 111.0° |
| N8 | C27 | H24 | 108.9° | 109.5° |
| N8 | C27 | H25 | 108.9° | 109.5° |
| C27 | C28 | N7 | 115.9° | 109.4° |
| C28 | C27 | H24 | 108.9° | 109.5° |
| C28 | C27 | H25 | 108.9° | 109.5° |
| C27 | C28 | H26 | 107.9° | 109.5° |
| C27 | C28 | H27 | 107.9° | 109.5° |
| N7 | C28 | H26 | 107.9° | 109.4° |
| N7 | C28 | H27 | 107.8° | 109.5° |
| C29 | C25 | H21 | 107.1° | 109.5° |
| C25 | C29 | H28 | 109.5° | 109.5° |
| C25 | C29 | H29 | 109.5° | 109.5° |
| C25 | C29 | H30 | 109.5° | 109.5° |
| N8 | C30 | C31 | 115.8° | 113.8° |
| N8 | C30 | C32 | 114.5° | 113.9° |
| N8 | C30 | H31 | 113.6° | 113.0° |
| C30 | C31 | O4 | 90.3° | 85.5° |
| C31 | C30 | C32 | 85.3° | 85.8° |
| C31 | C30 | H31 | 112.4° | 113.8° |
| C30 | C31 | H32 | 114.0° | 113.9° |
| C30 | C31 | H33 | 114.0° | 113.9° |
| C31 | O4 | C32 | 92.6° | 93.3° |
| O4 | C31 | H32 | 114.0° | 113.8° |
| O4 | C31 | H33 | 114.0° | 113.9° |
| O4 | C32 | C30 | 90.0° | 85.5° |
| O4 | C32 | H34 | 114.1° | 113.9° |
| O4 | C32 | H35 | 114.1° | 113.9° |
| C32 | C30 | H31 | 112.3° | 113.9° |
| C30 | C32 | H34 | 114.1° | 113.8° |
| C30 | C32 | H35 | 114.1° | 113.9° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H5 | C8 | H7 | 109.5° | 109.4° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.4° | 109.5° |
| H15 | N4 | H16 | 120.0° | 120.0° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H24 | C27 | H25 | 109.5° | 109.5° |
| H26 | C28 | H27 | 109.4° | 109.5° |
| H28 | C29 | H29 | 109.5° | 109.4° |
| H28 | C29 | H30 | 109.4° | 109.5° |
| H29 | C29 | H30 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 113.2° |
| H34 | C32 | H35 | 109.4° | 113.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | F1 | 179.5° | 179.9° |
| C1 | C2 | C3 | C4 | 1.6° | 0.0° |
| C2 | C1 | C6 | C5 | 2.4° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 179.5° | 179.9° |
| C1 | C2 | C3 | H2 | 178.4° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.2° | 0.0° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C3 | C2 | C1 | H1 | 179.7° | 179.8° |
| C2 | C3 | C4 | H3 | 178.8° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.9° | 0.0° |
| C3 | C4 | C5 | O2 | 179.3° | 180.0° |
| C4 | C3 | C2 | F1 | 177.9° | 180.0° |
| C4 | C5 | C6 | O2 | 179.8° | 180.0° |
| C4 | C5 | C6 | C1 | 2.7° | 0.0° |
| C4 | C5 | C6 | C7 | 179.4° | 179.9° |
| C4 | C5 | O2 | C8 | 4.8° | 0.0° |
| C5 | C4 | C3 | H2 | 178.8° | 180.0° |
| C5 | C6 | C1 | C7 | 178.1° | 180.0° |
| C5 | C6 | C7 | O1 | 177.5° | 0.0° |
| C5 | C6 | C7 | N1 | 9.9° | 180.0° |
| C6 | C5 | O2 | C8 | 175.0° | 180.0° |
| C5 | C6 | C1 | H1 | 177.6° | 179.8° |
| C6 | C5 | C4 | H3 | 179.1° | 180.0° |
| C1 | C6 | C7 | O1 | 0.5° | 180.0° |
| C1 | C6 | C7 | N1 | 172.1° | 0.1° |
| C1 | C6 | C5 | O2 | 177.5° | 180.0° |
| C6 | C1 | C2 | F1 | 179.7° | 180.0° |
| C6 | C7 | O1 | N1 | 172.2° | 179.9° |
| C7 | C6 | C5 | O2 | 0.4° | 0.1° |
| C6 | C7 | N1 | C9 | 177.9° | 180.0° |
| C7 | C6 | C1 | H1 | 0.5° | 0.2° |
| C6 | C7 | N1 | H4 | 2.1° | 0.0° |
| O1 | C7 | N1 | C9 | 5.6° | 0.0° |
| O1 | C7 | N1 | H4 | 174.5° | 180.0° |
| C7 | N1 | C9 | H4 | 180.0° | 180.0° |
| C7 | N1 | C9 | C10 | 126.9° | 180.0° |
| C7 | N1 | C9 | H8 | 6.1° | 60.0° |
| C7 | N1 | C9 | H9 | 112.4° | 60.0° |
| O2 | C5 | C4 | H3 | 0.7° | 0.0° |
| C5 | O2 | C8 | H5 | 180.0° | 60.0° |
| C5 | O2 | C8 | H6 | 60.0° | 60.1° |
| C5 | O2 | C8 | H7 | 60.0° | 179.9° |
| O2 | C8 | H5 | H6 | 120.0° | 120.1° |
| O2 | C8 | H5 | H7 | 120.0° | 120.0° |
| O2 | C8 | H6 | H7 | 120.0° | 120.0° |
| F1 | C2 | C1 | H1 | 0.2° | 0.3° |
| F1 | C2 | C3 | H2 | 2.1° | 0.0° |
| N1 | C9 | C10 | H8 | 120.8° | 120.1° |
| N1 | C9 | C10 | H9 | 120.8° | 120.0° |
| N1 | C9 | C10 | C11 | 52.4° | 90.0° |
| N1 | C9 | C10 | C15 | 132.7° | 90.3° |
| N1 | C9 | H8 | H9 | 117.7° | 120.0° |
| C9 | C10 | C11 | C15 | 175.1° | 179.8° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| C9 | C10 | C15 | C14 | 179.8° | 179.7° |
| C10 | C9 | N1 | H4 | 53.1° | 0.0° |
| C10 | C9 | H8 | H9 | 117.6° | 119.9° |
| C9 | C10 | C11 | H10 | 0.1° | 0.0° |
| C9 | C10 | C15 | H13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.3° | 0.0° |
| C11 | C10 | C15 | C14 | 4.8° | 0.6° |
| C11 | C10 | C9 | H8 | 68.4° | 30.1° |
| C11 | C10 | C9 | H9 | 173.1° | 150.0° |
| C10 | C11 | C12 | H11 | 178.8° | 180.0° |
| C11 | C10 | C15 | H13 | 175.2° | 179.7° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.6° | 0.0° |
| C12 | C11 | C10 | C15 | 4.9° | 0.3° |
| C11 | C12 | C13 | N2 | 173.1° | 180.0° |
| C12 | C13 | C14 | N2 | 170.9° | 180.0° |
| C12 | C13 | C14 | C15 | 2.6° | 0.2° |
| C12 | C13 | N2 | N3 | 55.1° | 139.1° |
| C12 | C13 | N2 | C18 | 135.9° | 40.6° |
| C13 | C12 | C11 | H10 | 178.7° | 180.0° |
| C12 | C13 | C14 | H12 | 177.4° | 180.0° |
| C13 | C14 | C15 | H12 | 180.0° | 179.8° |
| C13 | C14 | C15 | C10 | 1.1° | 0.5° |
| C14 | C13 | N2 | N3 | 115.8° | 40.9° |
| C14 | C13 | N2 | C18 | 53.2° | 139.5° |
| C14 | C13 | C12 | H11 | 177.4° | 180.0° |
| C13 | C14 | C15 | H13 | 178.9° | 179.7° |
| C14 | C15 | C10 | H13 | 180.0° | 179.7° |
| C15 | C14 | C13 | N2 | 173.5° | 179.8° |
| C15 | C10 | C9 | H8 | 106.6° | 149.7° |
| C15 | C10 | C9 | H9 | 11.9° | 29.8° |
| C15 | C10 | C11 | H10 | 175.1° | 179.7° |
| C10 | C15 | C14 | H12 | 178.9° | 179.7° |
| C13 | N2 | N3 | C18 | 171.2° | 179.7° |
| C13 | N2 | N3 | C16 | 172.0° | 180.0° |
| C13 | N2 | C18 | C17 | 170.6° | 179.9° |
| C13 | N2 | C18 | C19 | 16.0° | 0.1° |
| N2 | C13 | C12 | H11 | 6.9° | 0.0° |
| N2 | C13 | C14 | H12 | 6.5° | 0.0° |
| N2 | N3 | C16 | C17 | 0.3° | 0.0° |
| N3 | N2 | C18 | C17 | 1.0° | 0.4° |
| N3 | N2 | C18 | C19 | 174.4° | 179.8° |
| N2 | N3 | C16 | H14 | 179.7° | 180.0° |
| N3 | C16 | C17 | H14 | 180.0° | 180.0° |
| N3 | C16 | C17 | C18 | 0.3° | 0.3° |
| C16 | N3 | N2 | C18 | 0.8° | 0.3° |
| N3 | C16 | C17 | N5 | 177.1° | 180.0° |
| C16 | C17 | C18 | N5 | 177.5° | 179.7° |
| C16 | C17 | C18 | N2 | 0.7° | 0.4° |
| C16 | C17 | C18 | C19 | 173.9° | 179.8° |
| C16 | C17 | N5 | C20 | 13.3° | 7.7° |
| C16 | C17 | N5 | H17 | 166.7° | 172.3° |
| C17 | C18 | N2 | C19 | 173.4° | 179.8° |
| C17 | C18 | C19 | O3 | 160.1° | 86.5° |
| C17 | C18 | C19 | N4 | 13.2° | 93.5° |
| C18 | C17 | N5 | C20 | 169.8° | 172.0° |
| C18 | C17 | C16 | H14 | 179.7° | 179.8° |
| C18 | C17 | N5 | H17 | 10.3° | 8.0° |
| N2 | C18 | C19 | O3 | 11.8° | 93.7° |
| N2 | C18 | C19 | N4 | 174.9° | 86.3° |
| N2 | C18 | C17 | N5 | 176.8° | 179.8° |
| C18 | C19 | O3 | N4 | 172.9° | 180.0° |
| C19 | C18 | C17 | N5 | 3.7° | 0.0° |
| C18 | C19 | N4 | H15 | 173.5° | 5.0° |
| C18 | C19 | N4 | H16 | 6.5° | 175.0° |
| O3 | C19 | N4 | H15 | 0.0° | 175.0° |
| O3 | C19 | N4 | H16 | 180.0° | 5.0° |
| C19 | N4 | H15 | H16 | 180.0° | 180.0° |
| C17 | N5 | C20 | H17 | 180.0° | 180.0° |
| C17 | N5 | C20 | N6 | 10.6° | 5.7° |
| C17 | N5 | C20 | C24 | 168.5° | 174.6° |
| N5 | C17 | C16 | H14 | 2.9° | 0.0° |
| N5 | C20 | N6 | C24 | 179.1° | 179.7° |
| N5 | C20 | N6 | C21 | 177.5° | 180.0° |
| N5 | C20 | C24 | C23 | 178.1° | 179.8° |
| N5 | C20 | C24 | H20 | 1.9° | 0.0° |
| C20 | N6 | C21 | C22 | 0.7° | 0.0° |
| N6 | C20 | C24 | C23 | 2.9° | 0.5° |
| N6 | C20 | N5 | H17 | 169.4° | 174.3° |
| C20 | N6 | C21 | H18 | 179.3° | 180.0° |
| N6 | C20 | C24 | H20 | 177.1° | 179.7° |
| N6 | C21 | C22 | H18 | 180.0° | 180.0° |
| N6 | C21 | C22 | C23 | 2.3° | 0.0° |
| C21 | N6 | C20 | C24 | 3.4° | 0.3° |
| N6 | C21 | C22 | N7 | 172.0° | 180.0° |
| C21 | C22 | C23 | N7 | 169.9° | 180.0° |
| C21 | C22 | C23 | C24 | 2.8° | 0.2° |
| C21 | C22 | N7 | C25 | 143.4° | 115.8° |
| C21 | C22 | N7 | C28 | 65.3° | 120.4° |
| C21 | C22 | C23 | H19 | 177.2° | 180.0° |
| C22 | C23 | C24 | H19 | 180.0° | 179.8° |
| C22 | C23 | C24 | C20 | 0.4° | 0.4° |
| C23 | C22 | N7 | C25 | 47.1° | 64.2° |
| C23 | C22 | N7 | C28 | 104.2° | 59.5° |
| C23 | C22 | C21 | H18 | 177.7° | 180.0° |
| C22 | C23 | C24 | H20 | 179.7° | 179.7° |
| C23 | C24 | C20 | H20 | 180.0° | 179.8° |
| C24 | C23 | C22 | N7 | 172.7° | 179.8° |
| C24 | C20 | N5 | H17 | 11.5° | 5.5° |
| C20 | C24 | C23 | H19 | 179.6° | 179.7° |
| C22 | N7 | C25 | C28 | 151.1° | 123.8° |
| C22 | N7 | C25 | C26 | 168.2° | 176.8° |
| C22 | N7 | C28 | C27 | 175.2° | 176.8° |
| C22 | N7 | C25 | C29 | 43.0° | 56.9° |
| N7 | C22 | C21 | H18 | 8.0° | 0.0° |
| N7 | C22 | C23 | H19 | 7.3° | 0.1° |
| C22 | N7 | C25 | H21 | 75.6° | 63.2° |
| C22 | N7 | C28 | H26 | 63.8° | 56.9° |
| C22 | N7 | C28 | H27 | 54.3° | 63.2° |
| N7 | C25 | C26 | C29 | 126.7° | 120.0° |
| N7 | C25 | C26 | H21 | 116.5° | 120.0° |
| N7 | C25 | C26 | N8 | 57.4° | 58.4° |
| C25 | N7 | C28 | C27 | 33.4° | 59.3° |
| N7 | C25 | C29 | H21 | 119.0° | 120.1° |
| N7 | C25 | C26 | H22 | 177.5° | 178.4° |
| N7 | C25 | C26 | H23 | 62.7° | 61.6° |
| C25 | N7 | C28 | H26 | 87.6° | 179.3° |
| C25 | N7 | C28 | H27 | 154.3° | 60.7° |
| N7 | C25 | C29 | H28 | 180.0° | 64.1° |
| N7 | C25 | C29 | H29 | 60.0° | 175.9° |
| N7 | C25 | C29 | H30 | 60.0° | 55.9° |
| C25 | C26 | N8 | H22 | 120.1° | 120.0° |
| C25 | C26 | N8 | H23 | 120.1° | 120.0° |
| C25 | C26 | N8 | C27 | 67.5° | 59.3° |
| C26 | C25 | N7 | C28 | 40.7° | 59.3° |
| C26 | C25 | C29 | H21 | 116.8° | 120.0° |
| C25 | C26 | N8 | C30 | 179.3° | 176.8° |
| C25 | C26 | H22 | H23 | 119.7° | 120.1° |
| C26 | C25 | C29 | H28 | 55.8° | 55.8° |
| C26 | C25 | C29 | H29 | 175.8° | 64.2° |
| C26 | C25 | C29 | H30 | 64.2° | 175.8° |
| C26 | N8 | C27 | C30 | 112.0° | 123.9° |
| C26 | N8 | C27 | C28 | 57.4° | 59.3° |
| N8 | C26 | C25 | C29 | 175.9° | 178.3° |
| C26 | N8 | C30 | C31 | 177.0° | 180.0° |
| C26 | N8 | C30 | C32 | 80.1° | 83.8° |
| N8 | C26 | C25 | H21 | 59.1° | 61.6° |
| N8 | C26 | H22 | H23 | 119.6° | 120.0° |
| C26 | N8 | C27 | H24 | 177.7° | 179.3° |
| C26 | N8 | C27 | H25 | 62.9° | 60.7° |
| C26 | N8 | C30 | H31 | 50.7° | 48.3° |
| N8 | C27 | C28 | H24 | 120.3° | 120.0° |
| N8 | C27 | C28 | H25 | 120.3° | 120.0° |
| N8 | C27 | C28 | N7 | 40.5° | 58.4° |
| C27 | N8 | C30 | C31 | 67.7° | 56.2° |
| C27 | N8 | C30 | C32 | 164.6° | 152.4° |
| C27 | N8 | C26 | H22 | 172.4° | 179.3° |
| C27 | N8 | C26 | H23 | 52.6° | 60.7° |
| N8 | C27 | H24 | H25 | 119.0° | 120.0° |
| N8 | C27 | C28 | H26 | 80.5° | 178.4° |
| N8 | C27 | C28 | H27 | 161.4° | 61.6° |
| C27 | N8 | C30 | H31 | 64.5° | 75.6° |
| C27 | C28 | N7 | H26 | 121.0° | 120.0° |
| C27 | C28 | N7 | H27 | 120.9° | 120.0° |
| C28 | C27 | N8 | C30 | 169.4° | 176.8° |
| C28 | C27 | H24 | H25 | 119.0° | 120.1° |
| C27 | C28 | H26 | H27 | 117.1° | 120.1° |
| C28 | N7 | C25 | C29 | 165.9° | 179.3° |
| C28 | N7 | C25 | H21 | 75.5° | 60.6° |
| N7 | C28 | C27 | H24 | 160.8° | 178.4° |
| N7 | C28 | C27 | H25 | 79.8° | 61.6° |
| N7 | C28 | H26 | H27 | 117.1° | 120.0° |
| C29 | C25 | C26 | H22 | 55.8° | 61.6° |
| C29 | C25 | C26 | H23 | 64.0° | 58.4° |
| C25 | C29 | H28 | H29 | 120.0° | 120.0° |
| C25 | C29 | H28 | H30 | 120.0° | 120.0° |
| C25 | C29 | H29 | H30 | 120.0° | 120.0° |
| N8 | C30 | C31 | C32 | 115.0° | 114.3° |
| N8 | C30 | C31 | H31 | 132.8° | 131.4° |
| N8 | C30 | C31 | O4 | 105.2° | 136.9° |
| N8 | C30 | C32 | O4 | 106.5° | 136.8° |
| N8 | C30 | C32 | H31 | 131.5° | 131.6° |
| C30 | N8 | C26 | H22 | 59.2° | 56.8° |
| C30 | N8 | C26 | H23 | 60.6° | 63.2° |
| C30 | N8 | C27 | H24 | 70.3° | 56.8° |
| C30 | N8 | C27 | H25 | 49.1° | 63.2° |
| N8 | C30 | C31 | H32 | 138.2° | 109.0° |
| N8 | C30 | C31 | H33 | 11.4° | 22.7° |
| N8 | C30 | C32 | H34 | 136.9° | 22.6° |
| N8 | C30 | C32 | H35 | 10.1° | 109.0° |
| C30 | C31 | O4 | H32 | 116.6° | 114.1° |
| C30 | C31 | O4 | H33 | 116.6° | 114.1° |
| C31 | C30 | C32 | O4 | 9.7° | 22.6° |
| C31 | C30 | C32 | H31 | 112.3° | 114.2° |
| C30 | C31 | H32 | H33 | 129.1° | 132.1° |
| C31 | C30 | C32 | H34 | 106.8° | 91.6° |
| C31 | C30 | C32 | H35 | 126.3° | 136.8° |
| O4 | C31 | C30 | H31 | 122.0° | 91.8° |
| O4 | C31 | H32 | H33 | 129.1° | 132.1° |
| C31 | O4 | C32 | H34 | 106.2° | 89.9° |
| C31 | O4 | C32 | H35 | 127.0° | 138.3° |
| O4 | C32 | C30 | H34 | 116.6° | 114.1° |
| O4 | C32 | C30 | H35 | 116.6° | 114.2° |
| O4 | C32 | C30 | H31 | 122.0° | 91.7° |
| C32 | O4 | C31 | H32 | 106.2° | 138.3° |
| C32 | O4 | C31 | H33 | 127.0° | 90.0° |
| O4 | C32 | H34 | H35 | 129.2° | 132.1° |
| C32 | C30 | C31 | H32 | 106.8° | 136.7° |
| C32 | C30 | C31 | H33 | 126.4° | 91.6° |
| C30 | C32 | H34 | H35 | 129.2° | 132.0° |
| H2 | C3 | C4 | H3 | 1.2° | 0.0° |
| H4 | N1 | C9 | H8 | 173.9° | 120.0° |
| H4 | N1 | C9 | H9 | 67.7° | 120.0° |
| H5 | C8 | H6 | H7 | 120.0° | 119.9° |
| H10 | C11 | C12 | H11 | 1.2° | 0.0° |
| H12 | C14 | C15 | H13 | 1.1° | 0.1° |
| H19 | C23 | C24 | H20 | 0.3° | 0.1° |
| H21 | C25 | C26 | H22 | 61.0° | 58.4° |
| H21 | C25 | C26 | H23 | 179.2° | 178.4° |
| H21 | C25 | C29 | H28 | 61.1° | 175.8° |
| H21 | C25 | C29 | H29 | 59.0° | 55.8° |
| H21 | C25 | C29 | H30 | 179.0° | 64.2° |
| H24 | C27 | C28 | H26 | 39.9° | 61.7° |
| H24 | C27 | C28 | H27 | 78.3° | 58.4° |
| H25 | C27 | C28 | H26 | 159.2° | 58.4° |
| H25 | C27 | C28 | H27 | 41.1° | 178.4° |
| H28 | C29 | H29 | H30 | 119.9° | 120.0° |
| H31 | C30 | C31 | H32 | 5.4° | 22.3° |
| H31 | C30 | C31 | H33 | 121.4° | 154.1° |
| H31 | C30 | C32 | H34 | 5.4° | 154.2° |
| H31 | C30 | C32 | H35 | 121.4° | 22.5° |
