A1JTV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C9 | N2 | sing | 1.37Å | 1.34Å | |
| N2 | C10 | sing | 1.48Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.55Å | 1.54Å | |
| C14 | C15 | sing | 1.54Å | 1.52Å | |
| C15 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C16 | sing | 1.34Å | 1.34Å | |
| C13 | C16 | sing | 1.51Å | 1.52Å | |
| C11 | C17 | sing | 1.51Å | 1.50Å | |
| C17 | O1 | doub | 1.21Å | 1.22Å | |
| C17 | N4 | sing | 1.37Å | 1.33Å | |
| C2 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C11 | O2 | sing | 1.43Å | 1.42Å | |
| N4 | C23 | sing | 1.48Å | 1.46Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C16 | O4 | doub | 1.21Å | 1.26Å | |
| N1 | C24 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | O5 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | sing | 1.53Å | 1.56Å | |
| C25 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C27 | sing | 1.35Å | 1.33Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C27 | O6 | doub | 1.21Å | 1.21Å | |
| C26 | C29 | sing | 1.53Å | 1.53Å | |
| C26 | C30 | sing | 1.53Å | 1.53Å | |
| C26 | C31 | sing | 1.53Å | 1.53Å | |
| C28 | F1 | sing | 1.40Å | 1.32Å | |
| C28 | F2 | sing | 1.40Å | 1.34Å | |
| C28 | F3 | sing | 1.40Å | 1.30Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| N5 | H35 | sing | 0.97Å | 1.00Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å | |
| C29 | H38 | sing | 1.09Å | 1.10Å | |
| C30 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| C31 | H42 | sing | 1.09Å | 1.10Å | |
| C31 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.1° | 120.0° |
| C2 | C1 | C6 | 122.1° | 120.0° |
| C1 | C2 | C18 | 120.9° | 120.0° |
| C2 | C1 | H1 | 118.9° | 120.0° |
| C2 | C3 | C4 | 121.0° | 120.0° |
| C3 | C2 | C18 | 120.9° | 120.0° |
| C2 | C3 | H2 | 119.5° | 120.1° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | H3 | 120.0° | 120.0° |
| C4 | C3 | H2 | 119.5° | 119.9° |
| C4 | C5 | C6 | 121.0° | 120.0° |
| C5 | C4 | H3 | 120.1° | 120.0° |
| C4 | C5 | H4 | 119.5° | 120.0° |
| C5 | C6 | C1 | 117.9° | 120.0° |
| C5 | C6 | C7 | 121.3° | 120.0° |
| C6 | C5 | H4 | 119.5° | 120.0° |
| C1 | C6 | C7 | 120.8° | 120.0° |
| C6 | C1 | H1 | 118.9° | 120.0° |
| C6 | C7 | C8 | 114.7° | 109.5° |
| C6 | C7 | H5 | 108.2° | 109.5° |
| C6 | C7 | H6 | 108.2° | 109.5° |
| C7 | C8 | C9 | 115.0° | 109.5° |
| C7 | C8 | N1 | 112.9° | 109.5° |
| C8 | C7 | H5 | 108.2° | 109.5° |
| C8 | C7 | H6 | 108.2° | 109.4° |
| C7 | C8 | H7 | 107.1° | 109.5° |
| C9 | C8 | N1 | 105.9° | 109.5° |
| C8 | C9 | N2 | 115.1° | 118.5° |
| C8 | C9 | O3 | 121.9° | 120.7° |
| C9 | C8 | H7 | 107.4° | 109.5° |
| C8 | N1 | C24 | 121.3° | 120.0° |
| C8 | N1 | H8 | 119.4° | 120.0° |
| N1 | C8 | H7 | 108.2° | 109.5° |
| C9 | N2 | C10 | 121.8° | 114.6° |
| N2 | C9 | O3 | 123.0° | 120.8° |
| C9 | N2 | H9 | 119.1° | 122.7° |
| N2 | C10 | C11 | 102.5° | 108.5° |
| N2 | C10 | C12 | 112.5° | 109.6° |
| N2 | C10 | H10 | 109.1° | 109.7° |
| C10 | N2 | H9 | 119.1° | 122.7° |
| C11 | C10 | C12 | 116.3° | 109.6° |
| C10 | C11 | C17 | 112.2° | 109.5° |
| C10 | C11 | O2 | 110.1° | 109.5° |
| C11 | C10 | H10 | 108.1° | 109.6° |
| C10 | C11 | H11 | 108.5° | 109.4° |
| C10 | C12 | C13 | 111.6° | 109.5° |
| C12 | C10 | H10 | 108.1° | 109.8° |
| C10 | C12 | H12 | 108.9° | 109.5° |
| C10 | C12 | H13 | 108.9° | 109.5° |
| C12 | C13 | C14 | 118.8° | 110.5° |
| C12 | C13 | C16 | 110.4° | 110.5° |
| C12 | C13 | H14 | 107.6° | 110.6° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H13 | 108.9° | 109.5° |
| C13 | C14 | C15 | 104.1° | 101.8° |
| C14 | C13 | C16 | 104.3° | 104.2° |
| C14 | C13 | H14 | 107.5° | 110.5° |
| C13 | C14 | H15 | 110.8° | 111.0° |
| C13 | C14 | H16 | 110.8° | 111.0° |
| C14 | C15 | N3 | 103.7° | 105.5° |
| C14 | C15 | H17 | 110.9° | 110.2° |
| C14 | C15 | H18 | 110.9° | 110.3° |
| C15 | C14 | H15 | 110.8° | 111.0° |
| C15 | C14 | H16 | 110.8° | 111.0° |
| C15 | N3 | C16 | 114.2° | 111.3° |
| C15 | N3 | H19 | 122.9° | 124.4° |
| N3 | C15 | H17 | 110.9° | 110.3° |
| N3 | C15 | H18 | 110.9° | 110.3° |
| N3 | C16 | C13 | 108.1° | 110.1° |
| N3 | C16 | O4 | 127.3° | 125.0° |
| C16 | N3 | H19 | 122.9° | 124.3° |
| C13 | C16 | O4 | 124.6° | 124.9° |
| C16 | C13 | H14 | 107.7° | 110.5° |
| C11 | C17 | O1 | 119.8° | 120.8° |
| C11 | C17 | N4 | 113.7° | 118.5° |
| C17 | C11 | O2 | 107.0° | 109.5° |
| C17 | C11 | H11 | 109.0° | 109.4° |
| O1 | C17 | N4 | 126.5° | 120.7° |
| C17 | N4 | C23 | 125.3° | 114.7° |
| C17 | N4 | H20 | 117.3° | 122.7° |
| C2 | C18 | C19 | 111.7° | 109.4° |
| C2 | C18 | H21 | 108.9° | 109.5° |
| C2 | C18 | H22 | 108.9° | 109.5° |
| C18 | C19 | C20 | 114.5° | 109.5° |
| C19 | C18 | H21 | 108.9° | 109.5° |
| C19 | C18 | H22 | 108.9° | 109.5° |
| C18 | C19 | H23 | 108.2° | 109.5° |
| C18 | C19 | H24 | 108.2° | 109.5° |
| C19 | C20 | C21 | 118.3° | 109.5° |
| C19 | C20 | H25 | 107.2° | 109.4° |
| C19 | C20 | H26 | 107.2° | 109.5° |
| C20 | C19 | H23 | 108.2° | 109.4° |
| C20 | C19 | H24 | 108.2° | 109.5° |
| C20 | C21 | C22 | 110.6° | 109.5° |
| C21 | C20 | H25 | 107.2° | 109.5° |
| C21 | C20 | H26 | 107.2° | 109.5° |
| C20 | C21 | H27 | 109.2° | 109.5° |
| C20 | C21 | H28 | 109.2° | 109.5° |
| C21 | C22 | C23 | 115.6° | 109.5° |
| C22 | C21 | H27 | 109.2° | 109.4° |
| C22 | C21 | H28 | 109.2° | 109.5° |
| C21 | C22 | H29 | 107.9° | 109.5° |
| C21 | C22 | H30 | 107.9° | 109.5° |
| C22 | C23 | N4 | 110.3° | 108.5° |
| C23 | C22 | H29 | 107.9° | 109.4° |
| C23 | C22 | H30 | 107.9° | 109.4° |
| C22 | C23 | H31 | 109.3° | 109.6° |
| C22 | C23 | H32 | 109.3° | 109.7° |
| O2 | C11 | H11 | 110.0° | 109.4° |
| C11 | O2 | H33 | 109.5° | 114.0° |
| C23 | N4 | H20 | 117.4° | 122.7° |
| N4 | C23 | H31 | 109.2° | 109.6° |
| N4 | C23 | H32 | 109.3° | 109.6° |
| N1 | C24 | C25 | 115.2° | 120.0° |
| N1 | C24 | O5 | 122.2° | 120.0° |
| C24 | N1 | H8 | 119.4° | 120.0° |
| C25 | C24 | O5 | 122.7° | 120.0° |
| C24 | C25 | C26 | 113.8° | 109.5° |
| C24 | C25 | N5 | 107.8° | 109.4° |
| C24 | C25 | H34 | 106.5° | 109.5° |
| C26 | C25 | N5 | 114.5° | 109.5° |
| C25 | C26 | C29 | 109.2° | 109.5° |
| C25 | C26 | C30 | 113.2° | 109.5° |
| C25 | C26 | C31 | 108.7° | 109.5° |
| C26 | C25 | H34 | 106.2° | 109.5° |
| C25 | N5 | C27 | 120.9° | 120.0° |
| N5 | C25 | H34 | 107.4° | 109.4° |
| C25 | N5 | H35 | 119.6° | 120.0° |
| N5 | C27 | C28 | 116.7° | 120.0° |
| N5 | C27 | O6 | 126.9° | 120.0° |
| C27 | N5 | H35 | 119.5° | 120.0° |
| C28 | C27 | O6 | 116.5° | 120.0° |
| C27 | C28 | F1 | 110.4° | 109.5° |
| C27 | C28 | F2 | 112.2° | 109.5° |
| C27 | C28 | F3 | 111.4° | 109.5° |
| C29 | C26 | C30 | 108.8° | 109.5° |
| C29 | C26 | C31 | 108.1° | 109.5° |
| C26 | C29 | H36 | 109.5° | 109.5° |
| C26 | C29 | H37 | 109.5° | 109.5° |
| C26 | C29 | H38 | 109.5° | 109.5° |
| C30 | C26 | C31 | 108.7° | 109.5° |
| C26 | C30 | H39 | 109.5° | 109.5° |
| C26 | C30 | H40 | 109.5° | 109.5° |
| C26 | C30 | H41 | 109.5° | 109.5° |
| C26 | C31 | H42 | 109.5° | 109.4° |
| C26 | C31 | H43 | 109.5° | 109.5° |
| C26 | C31 | H44 | 109.4° | 109.4° |
| F1 | C28 | F2 | 106.5° | 109.5° |
| F1 | C28 | F3 | 106.1° | 109.5° |
| F2 | C28 | F3 | 110.0° | 109.5° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 110.2° |
| H25 | C20 | H26 | 109.5° | 109.5° |
| H27 | C21 | H28 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.4° | 109.5° |
| H15 | C14 | H16 | 109.5° | 110.9° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H23 | C19 | H24 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.8° |
| H36 | C29 | H37 | 109.5° | 109.4° |
| H36 | C29 | H38 | 109.5° | 109.5° |
| H37 | C29 | H38 | 109.4° | 109.5° |
| H39 | C30 | H40 | 109.5° | 109.5° |
| H39 | C30 | H41 | 109.5° | 109.5° |
| H40 | C30 | H41 | 109.5° | 109.4° |
| H42 | C31 | H43 | 109.4° | 109.5° |
| H42 | C31 | H44 | 109.5° | 109.5° |
| H43 | C31 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C18 | 177.1° | 179.7° |
| C1 | C2 | C3 | C4 | 0.7° | 0.5° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C2 | C1 | C6 | C7 | 179.9° | 180.0° |
| C1 | C2 | C18 | C19 | 132.2° | 9.0° |
| C1 | C2 | C3 | H2 | 179.3° | 180.0° |
| C1 | C2 | C18 | H21 | 11.9° | 128.9° |
| C1 | C2 | C18 | H22 | 107.5° | 111.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.4° |
| C2 | C3 | C4 | C5 | 0.9° | 0.6° |
| C3 | C2 | C1 | C6 | 1.6° | 0.2° |
| C3 | C2 | C18 | C19 | 44.9° | 170.7° |
| C2 | C3 | C4 | H3 | 179.1° | 179.7° |
| C3 | C2 | C1 | H1 | 178.4° | 180.0° |
| C3 | C2 | C18 | H21 | 165.2° | 50.8° |
| C3 | C2 | C18 | H22 | 75.5° | 69.3° |
| C3 | C4 | C5 | H3 | 180.0° | 179.6° |
| C3 | C4 | C5 | C6 | 1.5° | 0.4° |
| C4 | C3 | C2 | C18 | 177.8° | 179.7° |
| C3 | C4 | C5 | H4 | 178.5° | 179.7° |
| C4 | C5 | C6 | H4 | 180.0° | 179.9° |
| C4 | C5 | C6 | C1 | 0.5° | 0.1° |
| C4 | C5 | C6 | C7 | 178.3° | 180.0° |
| C5 | C4 | C3 | H2 | 179.2° | 180.0° |
| C5 | C6 | C1 | C7 | 178.8° | 180.0° |
| C5 | C6 | C7 | C8 | 50.4° | 127.5° |
| C6 | C5 | C4 | H3 | 178.5° | 180.0° |
| C5 | C6 | C7 | H5 | 70.4° | 7.5° |
| C5 | C6 | C7 | H6 | 171.2° | 112.5° |
| C5 | C6 | C1 | H1 | 179.0° | 179.7° |
| C1 | C6 | C7 | C8 | 128.4° | 52.5° |
| C6 | C1 | C2 | C18 | 178.8° | 180.0° |
| C1 | C6 | C5 | H4 | 179.5° | 180.0° |
| C1 | C6 | C7 | H5 | 110.8° | 172.5° |
| C1 | C6 | C7 | H6 | 7.6° | 67.4° |
| C6 | C7 | C8 | H5 | 120.8° | 120.0° |
| C6 | C7 | C8 | H6 | 120.8° | 120.0° |
| C6 | C7 | C8 | C9 | 51.0° | 112.6° |
| C6 | C7 | C8 | N1 | 70.7° | 7.4° |
| C7 | C6 | C5 | H4 | 1.7° | 0.1° |
| C6 | C7 | H5 | H6 | 117.6° | 120.1° |
| C6 | C7 | C8 | H7 | 170.2° | 127.4° |
| C7 | C6 | C1 | H1 | 0.1° | 0.3° |
| C7 | C8 | C9 | N1 | 125.4° | 120.0° |
| C7 | C8 | C9 | H7 | 119.1° | 120.0° |
| C7 | C8 | N1 | H7 | 118.3° | 120.0° |
| C7 | C8 | C9 | N2 | 90.2° | 166.8° |
| C7 | C8 | C9 | O3 | 91.0° | 13.2° |
| C7 | C8 | N1 | C24 | 169.2° | 88.6° |
| C7 | C8 | N1 | H8 | 10.8° | 91.7° |
| C8 | C7 | H5 | H6 | 117.6° | 119.9° |
| C9 | C8 | N1 | H7 | 115.0° | 120.1° |
| C8 | C9 | N2 | O3 | 178.8° | 180.0° |
| C8 | C9 | N2 | C10 | 169.3° | 179.8° |
| C9 | C8 | N1 | C24 | 64.1° | 151.5° |
| C9 | C8 | N1 | H8 | 115.9° | 28.3° |
| C9 | C8 | C7 | H5 | 171.7° | 127.4° |
| C9 | C8 | C7 | H6 | 69.8° | 7.4° |
| C8 | C9 | N2 | H9 | 10.7° | 0.1° |
| N1 | C8 | C9 | N2 | 144.4° | 73.3° |
| N1 | C8 | C9 | O3 | 34.4° | 106.7° |
| C8 | N1 | C24 | H8 | 180.0° | 179.7° |
| C8 | N1 | C24 | C25 | 178.7° | 176.3° |
| C8 | N1 | C24 | O5 | 0.1° | 3.7° |
| N1 | C8 | C7 | H5 | 50.0° | 112.7° |
| N1 | C8 | C7 | H6 | 168.5° | 127.4° |
| C9 | N2 | C10 | H9 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 117.9° | 122.0° |
| C9 | N2 | C10 | C12 | 116.5° | 2.3° |
| N2 | C9 | C8 | H7 | 28.9° | 46.8° |
| C9 | N2 | C10 | H10 | 3.5° | 118.3° |
| N2 | C10 | C11 | C12 | 123.1° | 119.7° |
| N2 | C10 | C11 | H10 | 115.2° | 119.8° |
| N2 | C10 | C12 | H10 | 120.6° | 120.5° |
| N2 | C10 | C12 | C13 | 67.0° | 174.6° |
| N2 | C10 | C11 | C17 | 161.0° | 94.1° |
| N2 | C10 | C11 | O2 | 41.9° | 145.8° |
| C10 | N2 | C9 | O3 | 12.0° | 0.1° |
| N2 | C10 | C11 | H11 | 78.5° | 25.8° |
| N2 | C10 | C12 | H12 | 53.3° | 65.4° |
| N2 | C10 | C12 | H13 | 172.6° | 54.6° |
| C11 | C10 | C12 | H10 | 121.6° | 120.4° |
| C11 | C10 | C12 | C13 | 175.2° | 55.6° |
| C10 | C11 | C17 | O2 | 120.9° | 120.1° |
| C10 | C11 | C17 | H11 | 120.2° | 120.0° |
| C10 | C11 | C17 | O1 | 64.0° | 14.6° |
| C10 | C11 | C17 | N4 | 113.7° | 165.4° |
| C10 | C11 | O2 | H11 | 119.5° | 120.0° |
| C11 | C10 | N2 | H9 | 62.1° | 58.1° |
| C11 | C10 | C12 | H12 | 64.5° | 175.6° |
| C11 | C10 | C12 | H13 | 54.8° | 64.5° |
| C10 | C11 | O2 | H33 | 180.0° | 180.0° |
| C10 | C12 | C13 | H12 | 120.3° | 120.0° |
| C10 | C12 | C13 | H13 | 120.3° | 120.0° |
| C10 | C12 | C13 | C14 | 61.9° | 173.1° |
| C10 | C12 | C13 | C16 | 177.7° | 72.2° |
| C12 | C10 | C11 | C17 | 75.8° | 25.6° |
| C12 | C10 | C11 | O2 | 165.1° | 94.5° |
| C10 | C12 | C13 | H14 | 60.4° | 50.4° |
| C12 | C10 | N2 | H9 | 63.5° | 177.8° |
| C12 | C10 | C11 | H11 | 44.6° | 145.6° |
| C10 | C12 | H12 | H13 | 119.0° | 120.0° |
| C12 | C13 | C14 | C16 | 123.5° | 118.7° |
| C12 | C13 | C14 | H14 | 122.4° | 122.7° |
| C12 | C13 | C14 | C15 | 145.6° | 143.5° |
| C12 | C13 | C16 | N3 | 142.4° | 134.9° |
| C12 | C13 | C16 | H14 | 117.2° | 122.7° |
| C12 | C13 | C16 | O4 | 40.4° | 44.8° |
| C13 | C12 | C10 | H10 | 53.5° | 64.9° |
| C13 | C12 | H12 | H13 | 119.0° | 120.0° |
| C12 | C13 | C14 | H15 | 26.5° | 25.3° |
| C12 | C13 | C14 | H16 | 95.2° | 98.4° |
| C13 | C14 | C15 | H15 | 119.1° | 118.1° |
| C13 | C14 | C15 | H16 | 119.2° | 118.1° |
| C13 | C14 | C15 | N3 | 22.5° | 25.4° |
| C14 | C13 | C16 | N3 | 13.7° | 16.2° |
| C14 | C13 | C16 | H14 | 114.0° | 118.6° |
| C14 | C13 | C16 | O4 | 169.2° | 163.5° |
| C13 | C14 | C15 | H17 | 141.6° | 93.6° |
| C13 | C14 | C15 | H18 | 96.5° | 144.5° |
| C14 | C13 | C12 | H12 | 177.8° | 66.9° |
| C14 | C13 | C12 | H13 | 58.5° | 53.1° |
| C13 | C14 | H15 | H16 | 122.5° | 123.8° |
| C14 | C15 | N3 | H17 | 119.1° | 119.0° |
| C14 | C15 | N3 | H18 | 119.1° | 119.0° |
| C14 | C15 | N3 | C16 | 15.4° | 17.0° |
| C15 | C14 | C13 | C16 | 22.2° | 24.8° |
| C14 | C15 | N3 | H19 | 164.5° | 162.7° |
| C15 | C14 | C13 | H14 | 92.0° | 93.8° |
| C14 | C15 | H17 | H18 | 122.7° | 122.0° |
| C15 | C14 | H15 | H16 | 122.5° | 123.8° |
| C15 | N3 | C16 | H19 | 180.0° | 179.8° |
| C15 | N3 | C16 | C13 | 1.1° | 0.4° |
| C15 | N3 | C16 | O4 | 176.0° | 179.9° |
| N3 | C15 | H17 | H18 | 122.7° | 122.0° |
| N3 | C15 | C14 | H15 | 96.6° | 92.7° |
| N3 | C15 | C14 | H16 | 141.7° | 143.5° |
| N3 | C16 | C13 | O4 | 177.2° | 179.7° |
| N3 | C16 | C13 | H14 | 100.3° | 102.4° |
| C16 | N3 | C15 | H17 | 134.5° | 102.0° |
| C16 | N3 | C15 | H18 | 103.6° | 136.1° |
| C13 | C16 | N3 | H19 | 178.9° | 179.3° |
| C16 | C13 | C12 | H12 | 57.4° | 47.8° |
| C16 | C13 | C12 | H13 | 62.0° | 167.8° |
| C16 | C13 | C14 | H15 | 97.0° | 93.4° |
| C16 | C13 | C14 | H16 | 141.3° | 142.9° |
| C11 | C17 | O1 | N4 | 177.4° | 180.0° |
| C17 | C11 | O2 | H11 | 118.3° | 119.9° |
| C11 | C17 | N4 | C23 | 170.5° | 179.9° |
| C17 | C11 | C10 | H10 | 45.8° | 146.1° |
| C11 | C17 | N4 | H20 | 9.5° | 0.1° |
| C17 | C11 | O2 | H33 | 57.8° | 59.9° |
| O1 | C17 | C11 | O2 | 175.2° | 105.5° |
| O1 | C17 | N4 | C23 | 7.0° | 0.1° |
| O1 | C17 | C11 | H11 | 56.2° | 134.6° |
| O1 | C17 | N4 | H20 | 173.0° | 179.9° |
| C17 | N4 | C23 | C22 | 179.5° | 102.3° |
| N4 | C17 | C11 | O2 | 7.1° | 74.5° |
| C17 | N4 | C23 | H20 | 180.0° | 179.9° |
| N4 | C17 | C11 | H11 | 126.1° | 45.5° |
| C17 | N4 | C23 | H31 | 59.3° | 17.4° |
| C17 | N4 | C23 | H32 | 60.4° | 137.9° |
| C2 | C18 | C19 | H21 | 120.3° | 119.9° |
| C2 | C18 | C19 | H22 | 120.3° | 120.0° |
| C2 | C18 | C19 | C20 | 117.8° | 149.1° |
| C18 | C2 | C1 | H1 | 1.3° | 0.3° |
| C18 | C2 | C3 | H2 | 2.2° | 0.3° |
| C2 | C18 | H21 | H22 | 119.0° | 120.1° |
| C2 | C18 | C19 | H23 | 121.4° | 90.9° |
| C2 | C18 | C19 | H24 | 2.9° | 29.1° |
| C18 | C19 | C20 | H23 | 120.7° | 120.0° |
| C18 | C19 | C20 | H24 | 120.7° | 120.0° |
| C18 | C19 | C20 | C21 | 106.6° | 167.6° |
| C18 | C19 | C20 | H25 | 14.7° | 72.5° |
| C18 | C19 | C20 | H26 | 132.2° | 47.5° |
| C19 | C18 | H21 | H22 | 119.0° | 120.0° |
| C18 | C19 | H23 | H24 | 117.7° | 120.1° |
| C19 | C20 | C21 | H25 | 121.3° | 120.0° |
| C19 | C20 | C21 | H26 | 121.3° | 120.1° |
| C19 | C20 | C21 | C22 | 159.8° | 114.5° |
| C19 | C20 | H25 | H26 | 116.0° | 120.0° |
| C19 | C20 | C21 | H27 | 80.0° | 5.4° |
| C19 | C20 | C21 | H28 | 39.7° | 125.5° |
| C20 | C19 | C18 | H21 | 2.5° | 90.9° |
| C20 | C19 | C18 | H22 | 121.8° | 29.1° |
| C20 | C19 | H23 | H24 | 117.7° | 119.9° |
| C20 | C21 | C22 | H27 | 120.2° | 120.0° |
| C20 | C21 | C22 | H28 | 120.2° | 120.0° |
| C20 | C21 | C22 | C23 | 146.1° | 150.7° |
| C21 | C20 | H25 | H26 | 116.0° | 120.0° |
| C20 | C21 | H27 | H28 | 119.5° | 120.0° |
| C20 | C21 | C22 | H29 | 25.3° | 89.3° |
| C20 | C21 | C22 | H30 | 93.0° | 30.7° |
| C21 | C20 | C19 | H23 | 132.7° | 47.6° |
| C21 | C20 | C19 | H24 | 14.2° | 72.4° |
| C21 | C22 | C23 | H29 | 120.9° | 120.0° |
| C21 | C22 | C23 | H30 | 120.9° | 120.1° |
| C21 | C22 | C23 | N4 | 64.6° | 130.8° |
| C22 | C21 | C20 | H25 | 38.6° | 5.5° |
| C22 | C21 | C20 | H26 | 78.9° | 125.5° |
| C22 | C21 | H27 | H28 | 119.5° | 120.0° |
| C21 | C22 | H29 | H30 | 117.2° | 120.1° |
| C21 | C22 | C23 | H31 | 175.3° | 11.0° |
| C21 | C22 | C23 | H32 | 55.5° | 109.5° |
| C22 | C23 | N4 | H31 | 120.1° | 119.7° |
| C22 | C23 | N4 | H32 | 120.1° | 119.7° |
| C23 | C22 | C21 | H27 | 93.7° | 30.7° |
| C23 | C22 | C21 | H28 | 26.0° | 89.3° |
| C23 | C22 | H29 | H30 | 117.2° | 119.9° |
| C22 | C23 | N4 | H20 | 0.6° | 77.6° |
| C22 | C23 | H31 | H32 | 119.6° | 120.5° |
| O2 | C11 | C10 | H10 | 73.3° | 26.0° |
| N4 | C23 | C22 | H29 | 56.3° | 109.3° |
| N4 | C23 | C22 | H30 | 174.5° | 10.7° |
| N4 | C23 | H31 | H32 | 119.6° | 120.5° |
| O3 | C9 | C8 | H7 | 149.9° | 133.2° |
| O3 | C9 | N2 | H9 | 168.0° | 179.9° |
| O4 | C16 | N3 | H19 | 4.0° | 0.3° |
| O4 | C16 | C13 | H14 | 76.8° | 77.9° |
| N1 | C24 | C25 | O5 | 178.6° | 180.0° |
| N1 | C24 | C25 | C26 | 108.6° | 68.1° |
| N1 | C24 | C25 | N5 | 123.1° | 171.9° |
| C24 | N1 | C8 | H7 | 50.8° | 31.4° |
| N1 | C24 | C25 | H34 | 8.1° | 52.0° |
| C24 | C25 | C26 | N5 | 124.7° | 120.0° |
| C24 | C25 | C26 | H34 | 116.9° | 120.0° |
| C24 | C25 | N5 | H34 | 114.4° | 119.9° |
| C24 | C25 | N5 | C27 | 109.5° | 155.0° |
| C24 | C25 | C26 | C29 | 179.9° | 64.6° |
| C24 | C25 | C26 | C30 | 58.5° | 175.4° |
| C24 | C25 | C26 | C31 | 62.4° | 55.4° |
| C25 | C24 | N1 | H8 | 1.3° | 3.4° |
| C24 | C25 | N5 | H35 | 70.5° | 25.0° |
| O5 | C24 | C25 | C26 | 70.0° | 111.9° |
| O5 | C24 | C25 | N5 | 58.2° | 8.1° |
| O5 | C24 | N1 | H8 | 179.9° | 176.6° |
| O5 | C24 | C25 | H34 | 173.3° | 128.0° |
| C26 | C25 | N5 | H34 | 117.7° | 120.0° |
| C26 | C25 | N5 | C27 | 122.7° | 85.0° |
| C25 | C26 | C29 | C30 | 124.0° | 120.0° |
| C25 | C26 | C29 | C31 | 118.1° | 120.0° |
| C25 | C26 | C30 | C31 | 120.9° | 120.0° |
| C26 | C25 | N5 | H35 | 57.3° | 95.1° |
| C25 | C26 | C29 | H36 | 180.0° | 179.9° |
| C25 | C26 | C29 | H37 | 60.0° | 60.1° |
| C25 | C26 | C29 | H38 | 60.0° | 59.9° |
| C25 | C26 | C30 | H39 | 180.0° | 60.0° |
| C25 | C26 | C30 | H40 | 60.0° | 60.0° |
| C25 | C26 | C30 | H41 | 60.0° | 179.9° |
| C25 | C26 | C31 | H42 | 180.0° | 174.9° |
| C25 | C26 | C31 | H43 | 60.0° | 54.9° |
| C25 | C26 | C31 | H44 | 60.0° | 65.1° |
| C25 | N5 | C27 | H35 | 180.0° | 179.9° |
| C25 | N5 | C27 | C28 | 168.7° | 180.0° |
| C25 | N5 | C27 | O6 | 10.5° | 0.0° |
| N5 | C25 | C26 | C29 | 55.1° | 175.4° |
| N5 | C25 | C26 | C30 | 66.3° | 55.4° |
| N5 | C25 | C26 | C31 | 172.8° | 64.6° |
| N5 | C27 | C28 | O6 | 179.3° | 179.9° |
| N5 | C27 | C28 | F1 | 171.8° | 180.0° |
| N5 | C27 | C28 | F2 | 69.6° | 60.0° |
| N5 | C27 | C28 | F3 | 54.2° | 60.0° |
| C27 | N5 | C25 | H34 | 5.0° | 35.0° |
| C27 | C28 | F1 | F2 | 122.0° | 120.0° |
| C27 | C28 | F1 | F3 | 120.8° | 120.0° |
| C27 | C28 | F2 | F3 | 124.6° | 120.0° |
| C28 | C27 | N5 | H35 | 11.3° | 0.1° |
| O6 | C27 | C28 | F1 | 8.9° | 0.0° |
| O6 | C27 | C28 | F2 | 109.7° | 120.0° |
| O6 | C27 | C28 | F3 | 126.5° | 120.0° |
| O6 | C27 | N5 | H35 | 169.5° | 180.0° |
| C29 | C26 | C30 | C31 | 117.6° | 120.0° |
| C29 | C26 | C25 | H34 | 63.3° | 55.4° |
| C26 | C29 | H36 | H37 | 120.0° | 120.0° |
| C26 | C29 | H36 | H38 | 120.0° | 120.0° |
| C26 | C29 | H37 | H38 | 120.0° | 120.0° |
| C29 | C26 | C30 | H39 | 58.4° | 60.0° |
| C29 | C26 | C30 | H40 | 61.6° | 180.0° |
| C29 | C26 | C30 | H41 | 178.4° | 60.0° |
| C29 | C26 | C31 | H42 | 61.6° | 65.1° |
| C29 | C26 | C31 | H43 | 178.4° | 174.9° |
| C29 | C26 | C31 | H44 | 58.4° | 54.9° |
| C30 | C26 | C25 | H34 | 175.4° | 64.6° |
| C30 | C26 | C29 | H36 | 56.0° | 59.9° |
| C30 | C26 | C29 | H37 | 176.1° | 179.9° |
| C30 | C26 | C29 | H38 | 64.0° | 60.1° |
| C26 | C30 | H39 | H40 | 120.0° | 120.0° |
| C26 | C30 | H39 | H41 | 120.0° | 120.0° |
| C26 | C30 | H40 | H41 | 120.0° | 119.9° |
| C30 | C26 | C31 | H42 | 56.4° | 54.9° |
| C30 | C26 | C31 | H43 | 63.6° | 65.1° |
| C30 | C26 | C31 | H44 | 176.4° | 174.9° |
| C31 | C26 | C25 | H34 | 54.5° | 175.4° |
| C31 | C26 | C29 | H36 | 61.9° | 60.1° |
| C31 | C26 | C29 | H37 | 58.1° | 59.9° |
| C31 | C26 | C29 | H38 | 178.1° | 179.9° |
| C31 | C26 | C30 | H39 | 59.1° | 180.0° |
| C31 | C26 | C30 | H40 | 179.1° | 59.9° |
| C31 | C26 | C30 | H41 | 60.9° | 60.0° |
| C26 | C31 | H42 | H43 | 120.0° | 120.0° |
| C26 | C31 | H42 | H44 | 120.0° | 119.9° |
| C26 | C31 | H43 | H44 | 120.0° | 120.0° |
| F1 | C28 | F2 | F3 | 114.6° | 120.0° |
| H8 | N1 | C8 | H7 | 129.2° | 148.3° |
| H19 | N3 | C15 | H17 | 45.5° | 78.3° |
| H19 | N3 | C15 | H18 | 76.4° | 43.7° |
| H3 | C4 | C5 | H4 | 1.5° | 0.1° |
| H3 | C4 | C3 | H2 | 0.8° | 0.3° |
| H5 | C7 | C8 | H7 | 69.0° | 7.4° |
| H6 | C7 | C8 | H7 | 49.5° | 112.6° |
| H10 | C10 | N2 | H9 | 176.5° | 61.6° |
| H10 | C10 | C11 | H11 | 166.3° | 93.9° |
| H10 | C10 | C12 | H12 | 173.9° | 55.2° |
| H10 | C10 | C12 | H13 | 66.8° | 175.1° |
| H14 | C13 | C12 | H12 | 59.9° | 170.4° |
| H14 | C13 | C12 | H13 | 179.2° | 69.6° |
| H14 | C13 | C14 | H15 | 148.9° | 148.0° |
| H14 | C13 | C14 | H16 | 27.2° | 24.3° |
| H17 | C15 | C14 | H15 | 22.5° | 148.3° |
| H17 | C15 | C14 | H16 | 99.2° | 24.5° |
| H18 | C15 | C14 | H15 | 144.3° | 26.3° |
| H18 | C15 | C14 | H16 | 22.6° | 97.4° |
| H25 | C20 | C21 | H27 | 158.8° | 125.4° |
| H25 | C20 | C21 | H28 | 81.6° | 114.5° |
| H25 | C20 | C19 | H23 | 106.0° | 167.5° |
| H25 | C20 | C19 | H24 | 135.4° | 47.6° |
| H26 | C20 | C21 | H27 | 41.3° | 114.6° |
| H26 | C20 | C21 | H28 | 160.9° | 5.5° |
| H26 | C20 | C19 | H23 | 11.4° | 72.5° |
| H26 | C20 | C19 | H24 | 107.1° | 167.6° |
| H27 | C21 | C22 | H29 | 145.4° | 150.7° |
| H27 | C21 | C22 | H30 | 27.2° | 89.3° |
| H28 | C21 | C22 | H29 | 94.9° | 30.7° |
| H28 | C21 | C22 | H30 | 146.9° | 150.7° |
| H29 | C22 | C23 | H31 | 63.8° | 131.0° |
| H29 | C22 | C23 | H32 | 176.4° | 10.4° |
| H30 | C22 | C23 | H31 | 54.4° | 109.0° |
| H30 | C22 | C23 | H32 | 65.4° | 130.4° |
| H11 | C11 | O2 | H33 | 60.5° | 60.1° |
| H20 | N4 | C23 | H31 | 120.7° | 162.7° |
| H20 | N4 | C23 | H32 | 119.6° | 42.2° |
| H21 | C18 | C19 | H23 | 118.3° | 29.0° |
| H21 | C18 | C19 | H24 | 123.2° | 149.0° |
| H22 | C18 | C19 | H23 | 1.1° | 149.1° |
| H22 | C18 | C19 | H24 | 117.5° | 90.9° |
| H34 | C25 | N5 | H35 | 175.0° | 144.9° |
| H36 | C29 | H37 | H38 | 120.0° | 120.0° |
| H39 | C30 | H40 | H41 | 120.0° | 120.0° |
| H42 | C31 | H43 | H44 | 120.0° | 120.1° |
