A1BZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C29 | sing | 1.35Å | 1.43Å | Aromatic |
| N5 | C30 | doub | 1.30Å | 1.34Å | Aromatic |
| C29 | C28 | doub | 1.34Å | 1.38Å | Aromatic |
| C30 | O3 | sing | 1.34Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.58Å | |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | N3 | sing | 1.46Å | 1.46Å | |
| C28 | O3 | sing | 1.35Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.46Å | |
| C15 | O1 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.22Å | 1.28Å | |
| C27 | C22 | sing | 1.51Å | 1.50Å | |
| N3 | C7 | sing | 1.38Å | 1.39Å | |
| N1 | C7 | doub | 1.31Å | 1.35Å | Aromatic |
| N1 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.47Å | |
| N4 | C19 | sing | 1.47Å | 1.48Å | |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.34Å | Aromatic |
| C7 | C8 | sing | 1.46Å | 1.48Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.51Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| C5 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C20 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | O2 | sing | 1.36Å | 1.37Å | |
| C8 | C9 | doub | 1.40Å | 1.37Å | Aromatic |
| C8 | C12 | sing | 1.42Å | 1.39Å | Aromatic |
| C4 | C12 | sing | 1.47Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.39Å | Aromatic |
| O2 | C26 | sing | 1.43Å | 1.38Å | |
| C12 | C11 | doub | 1.39Å | 1.47Å | Aromatic |
| F1 | C26 | sing | 1.40Å | 1.32Å | |
| C26 | F | sing | 1.40Å | 1.34Å | |
| C26 | F2 | sing | 1.40Å | 1.29Å | |
| C10 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | N2 | sing | 1.32Å | 1.38Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 1.01Å | 1.00Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| N3 | H27 | sing | 0.97Å | 1.00Å | |
| C10 | H28 | sing | 1.08Å | 1.08Å | |
| C2 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| N | H31 | sing | 0.97Å | 1.00Å | |
| N | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | N5 | C30 | 105.0° | 108.7° |
| N5 | C29 | C28 | 107.5° | 107.7° |
| N5 | C29 | H19 | 126.3° | 126.1° |
| N5 | C30 | O3 | 112.5° | 108.8° |
| N5 | C30 | H18 | 123.7° | 125.6° |
| C29 | C28 | O3 | 109.2° | 107.1° |
| C29 | C28 | C27 | 134.8° | 126.4° |
| C28 | C29 | H19 | 126.3° | 126.2° |
| C30 | O3 | C28 | 105.8° | 107.8° |
| O3 | C30 | H18 | 123.7° | 125.6° |
| C13 | C14 | O1 | 110.7° | 109.5° |
| C14 | C13 | N3 | 107.9° | 109.5° |
| C14 | C13 | H1 | 109.8° | 109.5° |
| C14 | C13 | H2 | 109.9° | 109.4° |
| C13 | C14 | H9 | 109.2° | 109.5° |
| C13 | C14 | H10 | 109.2° | 109.4° |
| C14 | O1 | C15 | 109.6° | 114.0° |
| O1 | C14 | H9 | 109.2° | 109.5° |
| O1 | C14 | H10 | 109.2° | 109.4° |
| C13 | N3 | C7 | 126.4° | 120.0° |
| N3 | C13 | H1 | 109.9° | 109.5° |
| N3 | C13 | H2 | 109.8° | 109.5° |
| C13 | N3 | H27 | 105.1° | 120.0° |
| O3 | C28 | C27 | 115.9° | 126.5° |
| C28 | C27 | C22 | 112.9° | 109.5° |
| C28 | C27 | H16 | 108.6° | 109.4° |
| C28 | C27 | H17 | 108.6° | 109.4° |
| O1 | C15 | C16 | 105.9° | 109.5° |
| O1 | C15 | H3 | 110.4° | 109.5° |
| O1 | C15 | H4 | 110.4° | 109.5° |
| C15 | C16 | C17 | 111.5° | 109.5° |
| C16 | C15 | H3 | 110.3° | 109.4° |
| C16 | C15 | H4 | 110.4° | 109.5° |
| C15 | C16 | H11 | 109.0° | 109.4° |
| C15 | C16 | H12 | 109.0° | 109.4° |
| C16 | C17 | C18 | 108.7° | 109.5° |
| C17 | C16 | H11 | 108.9° | 109.5° |
| C17 | C16 | H12 | 109.0° | 109.5° |
| C16 | C17 | H25 | 109.7° | 109.5° |
| C16 | C17 | H26 | 109.7° | 109.4° |
| C17 | C18 | N4 | 110.0° | 109.5° |
| C17 | C18 | H13 | 109.3° | 109.4° |
| C17 | C18 | H14 | 109.3° | 109.5° |
| C18 | C17 | H25 | 109.7° | 109.5° |
| C18 | C17 | H26 | 109.7° | 109.5° |
| O | C | C1 | 124.8° | 119.9° |
| O | C | N | 120.6° | 120.0° |
| C27 | C22 | C21 | 119.2° | 120.0° |
| C27 | C22 | C23 | 120.1° | 120.0° |
| C22 | C27 | H16 | 108.6° | 109.5° |
| C22 | C27 | H17 | 108.6° | 109.5° |
| N3 | C7 | N1 | 121.7° | 119.7° |
| N3 | C7 | C8 | 115.3° | 119.7° |
| C7 | N3 | H27 | 105.1° | 120.0° |
| C7 | N1 | C5 | 116.7° | 123.4° |
| N1 | C7 | C8 | 122.9° | 120.6° |
| N1 | C5 | C6 | 115.5° | 120.0° |
| N1 | C5 | C4 | 124.4° | 121.1° |
| C18 | N4 | C19 | 111.3° | 111.0° |
| N4 | C18 | H13 | 109.4° | 109.5° |
| N4 | C18 | H14 | 109.3° | 109.5° |
| C18 | N4 | H23 | 109.0° | 111.1° |
| N4 | C19 | C20 | 110.4° | 109.5° |
| N4 | C19 | H21 | 109.2° | 109.4° |
| N4 | C19 | H22 | 109.2° | 109.5° |
| C19 | N4 | H23 | 109.0° | 111.0° |
| C21 | C22 | C23 | 120.1° | 120.0° |
| C22 | C21 | C20 | 120.8° | 120.2° |
| C22 | C21 | H5 | 119.6° | 119.9° |
| C22 | C23 | C24 | 116.6° | 119.9° |
| C22 | C23 | H15 | 121.7° | 120.0° |
| C21 | C20 | C19 | 121.9° | 120.0° |
| C21 | C20 | C25 | 120.5° | 120.0° |
| C20 | C21 | H5 | 119.6° | 119.9° |
| C5 | C6 | C1 | 119.8° | 119.8° |
| C6 | C5 | C4 | 120.1° | 118.9° |
| C5 | C6 | H30 | 120.1° | 120.1° |
| C6 | C1 | C | 119.2° | 119.8° |
| C6 | C1 | C2 | 121.3° | 120.4° |
| C1 | C6 | H30 | 120.1° | 120.1° |
| C7 | C8 | C9 | 121.2° | 123.0° |
| C7 | C8 | C12 | 118.9° | 118.7° |
| C1 | C | N | 114.4° | 120.0° |
| C | C1 | C2 | 119.3° | 119.8° |
| C | N | H31 | 120.0° | 120.0° |
| C | N | H32 | 120.0° | 120.0° |
| C5 | C4 | C12 | 117.1° | 118.5° |
| C5 | C4 | C3 | 119.4° | 120.2° |
| C23 | C24 | C25 | 123.9° | 119.9° |
| C23 | C24 | O2 | 121.1° | 120.0° |
| C24 | C23 | H15 | 121.7° | 120.1° |
| C19 | C20 | C25 | 117.5° | 120.0° |
| C20 | C19 | H21 | 109.3° | 109.5° |
| C20 | C19 | H22 | 109.3° | 109.5° |
| C20 | C25 | C24 | 117.9° | 120.0° |
| C20 | C25 | H20 | 121.1° | 120.0° |
| C1 | C2 | C3 | 120.2° | 120.5° |
| C1 | C2 | H29 | 119.9° | 119.8° |
| C25 | C24 | O2 | 114.9° | 120.1° |
| C24 | C25 | H20 | 121.0° | 120.0° |
| C24 | O2 | C26 | 118.5° | 117.0° |
| C9 | C8 | C12 | 119.9° | 118.3° |
| C8 | C9 | C10 | 119.7° | 118.6° |
| C8 | C9 | H7 | 120.1° | 120.7° |
| C8 | C12 | C4 | 119.8° | 117.7° |
| C8 | C12 | C11 | 117.5° | 119.0° |
| C12 | C4 | C3 | 123.5° | 121.2° |
| C4 | C12 | C11 | 122.6° | 123.3° |
| C4 | C3 | C2 | 119.1° | 120.1° |
| C4 | C3 | H6 | 120.4° | 119.9° |
| C9 | C10 | N2 | 124.0° | 121.8° |
| C10 | C9 | H7 | 120.1° | 120.7° |
| C9 | C10 | H28 | 118.0° | 119.1° |
| C2 | C3 | H6 | 120.4° | 119.9° |
| C3 | C2 | H29 | 119.9° | 119.8° |
| O2 | C26 | F1 | 108.2° | 109.5° |
| O2 | C26 | F | 116.5° | 109.4° |
| O2 | C26 | F2 | 106.1° | 109.5° |
| C12 | C11 | N2 | 122.1° | 119.7° |
| C12 | C11 | H8 | 119.0° | 120.1° |
| F1 | C26 | F | 111.0° | 109.5° |
| F1 | C26 | F2 | 110.0° | 109.5° |
| F | C26 | F2 | 104.8° | 109.5° |
| C10 | N2 | C11 | 116.7° | 122.6° |
| N2 | C10 | H28 | 118.0° | 119.1° |
| N2 | C11 | H8 | 119.0° | 120.2° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.4° |
| H9 | C14 | H10 | 109.4° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.4° |
| H21 | C19 | H22 | 109.4° | 109.5° |
| H25 | C17 | H26 | 109.4° | 109.4° |
| H31 | N | H32 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C29 | C28 | H19 | 180.0° | 179.6° |
| C29 | N5 | C30 | O3 | 0.1° | 0.2° |
| N5 | C29 | C28 | O3 | 1.0° | 0.4° |
| N5 | C29 | C28 | C27 | 174.8° | 179.9° |
| C29 | N5 | C30 | H18 | 179.9° | 179.8° |
| C30 | N5 | C29 | C28 | 0.7° | 0.4° |
| N5 | C30 | O3 | H18 | 180.0° | 180.0° |
| N5 | C30 | O3 | C28 | 0.5° | 0.0° |
| C30 | N5 | C29 | H19 | 179.3° | 180.0° |
| C29 | C28 | O3 | C30 | 0.9° | 0.3° |
| C29 | C28 | O3 | C27 | 176.7° | 179.7° |
| C29 | C28 | C27 | C22 | 102.2° | 89.7° |
| C29 | C28 | C27 | H16 | 137.3° | 150.2° |
| C29 | C28 | C27 | H17 | 18.3° | 30.4° |
| C30 | O3 | C28 | C27 | 175.8° | 179.9° |
| C13 | C14 | O1 | H9 | 120.2° | 120.0° |
| C13 | C14 | O1 | H10 | 120.2° | 120.0° |
| C14 | C13 | N3 | H1 | 119.8° | 120.0° |
| C14 | C13 | N3 | H2 | 119.8° | 120.0° |
| C13 | C14 | O1 | C15 | 176.1° | 180.0° |
| C14 | C13 | N3 | C7 | 73.1° | 180.0° |
| C14 | C13 | H1 | H2 | 120.7° | 120.0° |
| C13 | C14 | H9 | H10 | 119.4° | 120.0° |
| C14 | C13 | N3 | H27 | 49.1° | 0.0° |
| O1 | C14 | C13 | N3 | 71.6° | 65.0° |
| C14 | O1 | C15 | C16 | 167.0° | 180.0° |
| O1 | C14 | C13 | H1 | 48.2° | 175.0° |
| O1 | C14 | C13 | H2 | 168.7° | 55.0° |
| C14 | O1 | C15 | H3 | 47.6° | 60.0° |
| C14 | O1 | C15 | H4 | 73.5° | 59.9° |
| O1 | C14 | H9 | H10 | 119.5° | 120.0° |
| C13 | N3 | C7 | H27 | 122.3° | 180.0° |
| C13 | N3 | C7 | N1 | 1.0° | 0.0° |
| C13 | N3 | C7 | C8 | 175.7° | 180.0° |
| N3 | C13 | H1 | H2 | 120.7° | 120.0° |
| N3 | C13 | C14 | H9 | 48.6° | 175.0° |
| N3 | C13 | C14 | H10 | 168.2° | 55.0° |
| O3 | C28 | C27 | C22 | 82.2° | 89.9° |
| O3 | C28 | C27 | H16 | 38.3° | 30.1° |
| O3 | C28 | C27 | H17 | 157.3° | 150.0° |
| C28 | O3 | C30 | H18 | 179.5° | 180.0° |
| O3 | C28 | C29 | H19 | 179.0° | 180.0° |
| C28 | C27 | C22 | H16 | 120.5° | 120.0° |
| C28 | C27 | C22 | H17 | 120.5° | 120.0° |
| C28 | C27 | C22 | C21 | 112.4° | 90.0° |
| C28 | C27 | C22 | C23 | 76.0° | 90.0° |
| C28 | C27 | H16 | H17 | 118.4° | 119.9° |
| C27 | C28 | C29 | H19 | 5.2° | 0.3° |
| O1 | C15 | C16 | H3 | 119.4° | 120.0° |
| O1 | C15 | C16 | H4 | 119.4° | 120.1° |
| O1 | C15 | C16 | C17 | 165.4° | 180.0° |
| O1 | C15 | H3 | H4 | 121.7° | 120.0° |
| C15 | O1 | C14 | H9 | 63.7° | 60.0° |
| C15 | O1 | C14 | H10 | 55.9° | 60.0° |
| O1 | C15 | C16 | H11 | 74.3° | 60.0° |
| O1 | C15 | C16 | H12 | 45.1° | 60.0° |
| C15 | C16 | C17 | H11 | 120.3° | 120.0° |
| C15 | C16 | C17 | H12 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 174.2° | 180.0° |
| C16 | C15 | H3 | H4 | 121.7° | 120.0° |
| C15 | C16 | H11 | H12 | 119.1° | 119.9° |
| C15 | C16 | C17 | H25 | 54.3° | 59.9° |
| C15 | C16 | C17 | H26 | 65.9° | 59.9° |
| C16 | C17 | C18 | H25 | 119.9° | 120.0° |
| C16 | C17 | C18 | H26 | 119.9° | 120.0° |
| C16 | C17 | C18 | N4 | 170.8° | 180.0° |
| C17 | C16 | C15 | H3 | 46.0° | 60.0° |
| C17 | C16 | C15 | H4 | 75.2° | 60.0° |
| C17 | C16 | H11 | H12 | 119.1° | 120.0° |
| C16 | C17 | C18 | H13 | 50.7° | 60.0° |
| C16 | C17 | C18 | H14 | 69.2° | 60.0° |
| C16 | C17 | H25 | H26 | 120.4° | 119.9° |
| C17 | C18 | N4 | H13 | 120.0° | 119.9° |
| C17 | C18 | N4 | H14 | 120.1° | 120.0° |
| C17 | C18 | N4 | C19 | 170.2° | 180.0° |
| C18 | C17 | C16 | H11 | 65.5° | 60.0° |
| C18 | C17 | C16 | H12 | 53.9° | 60.0° |
| C17 | C18 | H13 | H14 | 119.8° | 120.0° |
| C17 | C18 | N4 | H23 | 49.9° | 56.1° |
| C18 | C17 | H25 | H26 | 120.4° | 120.0° |
| O | C | C1 | C6 | 20.0° | 0.2° |
| O | C | C1 | N | 174.1° | 180.0° |
| O | C | C1 | C2 | 163.8° | 180.0° |
| O | C | N | H31 | 0.0° | 180.0° |
| O | C | N | H32 | 180.0° | 0.1° |
| C27 | C22 | C21 | C23 | 171.6° | 180.0° |
| C27 | C22 | C21 | C20 | 167.0° | 180.0° |
| C27 | C22 | C23 | C24 | 168.8° | 179.7° |
| C27 | C22 | C21 | H5 | 13.0° | 0.0° |
| C27 | C22 | C23 | H15 | 11.2° | 0.0° |
| C22 | C27 | H16 | H17 | 118.4° | 120.1° |
| N3 | C7 | N1 | C8 | 176.5° | 180.0° |
| N3 | C7 | N1 | C5 | 176.9° | 179.8° |
| N3 | C7 | C8 | C9 | 5.2° | 0.0° |
| N3 | C7 | C8 | C12 | 174.8° | 179.5° |
| C7 | N3 | C13 | H1 | 167.1° | 60.0° |
| C7 | N3 | C13 | H2 | 46.6° | 60.0° |
| C7 | N1 | C5 | C6 | 177.2° | 180.0° |
| C7 | N1 | C5 | C4 | 2.6° | 0.1° |
| N1 | C7 | C8 | C9 | 178.1° | 179.9° |
| N1 | C7 | C8 | C12 | 1.9° | 0.4° |
| N1 | C7 | N3 | H27 | 123.3° | 180.0° |
| N1 | C5 | C6 | C4 | 179.8° | 179.9° |
| N1 | C5 | C6 | C1 | 177.0° | 179.9° |
| C5 | N1 | C7 | C8 | 0.4° | 0.2° |
| N1 | C5 | C4 | C12 | 2.3° | 0.0° |
| N1 | C5 | C4 | C3 | 178.0° | 179.7° |
| N1 | C5 | C6 | H30 | 3.0° | 0.0° |
| C18 | N4 | C19 | H23 | 120.3° | 124.0° |
| C18 | N4 | C19 | C20 | 177.1° | 180.0° |
| N4 | C18 | H13 | H14 | 119.8° | 120.1° |
| C18 | N4 | C19 | H21 | 57.0° | 60.0° |
| C18 | N4 | C19 | H22 | 62.7° | 60.0° |
| N4 | C18 | C17 | H25 | 69.3° | 59.9° |
| N4 | C18 | C17 | H26 | 50.9° | 60.0° |
| N4 | C19 | C20 | C21 | 83.0° | 89.8° |
| N4 | C19 | C20 | H21 | 120.1° | 120.0° |
| N4 | C19 | C20 | H22 | 120.1° | 120.0° |
| N4 | C19 | C20 | C25 | 97.5° | 90.0° |
| C19 | N4 | C18 | H13 | 69.8° | 60.0° |
| C19 | N4 | C18 | H14 | 50.1° | 60.0° |
| N4 | C19 | H21 | H22 | 119.6° | 120.0° |
| C22 | C21 | C20 | H5 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 2.8° | 0.3° |
| C22 | C21 | C20 | C19 | 176.7° | 180.0° |
| C22 | C21 | C20 | C25 | 2.8° | 0.2° |
| C21 | C22 | C23 | H15 | 177.2° | 180.0° |
| C21 | C22 | C27 | H16 | 127.1° | 30.0° |
| C21 | C22 | C27 | H17 | 8.1° | 150.0° |
| C23 | C22 | C21 | C20 | 4.6° | 0.1° |
| C22 | C23 | C24 | H15 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.8° | 0.3° |
| C22 | C23 | C24 | O2 | 176.6° | 179.7° |
| C23 | C22 | C21 | H5 | 175.4° | 180.0° |
| C23 | C22 | C27 | H16 | 44.5° | 150.0° |
| C23 | C22 | C27 | H17 | 163.5° | 29.9° |
| C21 | C20 | C19 | C25 | 179.5° | 179.8° |
| C21 | C20 | C25 | C24 | 0.7° | 0.2° |
| C21 | C20 | C25 | H20 | 179.3° | 179.7° |
| C21 | C20 | C19 | H21 | 37.2° | 30.2° |
| C21 | C20 | C19 | H22 | 156.9° | 150.2° |
| C5 | C6 | C1 | H30 | 180.0° | 180.0° |
| C5 | C6 | C1 | C | 174.3° | 179.9° |
| C5 | C6 | C1 | C2 | 1.9° | 0.2° |
| C6 | C5 | C4 | C12 | 177.5° | 180.0° |
| C6 | C5 | C4 | C3 | 2.2° | 0.2° |
| C6 | C1 | C | C2 | 176.3° | 179.7° |
| C6 | C1 | C | N | 154.1° | 179.7° |
| C1 | C6 | C5 | C4 | 3.2° | 0.0° |
| C6 | C1 | C2 | C3 | 0.5° | 0.2° |
| C6 | C1 | C2 | H29 | 179.5° | 180.0° |
| C7 | C8 | C9 | C12 | 179.9° | 179.5° |
| C7 | C8 | C12 | C4 | 2.2° | 0.5° |
| C7 | C8 | C9 | C10 | 179.6° | 179.6° |
| C7 | C8 | C12 | C11 | 178.9° | 179.5° |
| C7 | C8 | C9 | H7 | 0.4° | 0.5° |
| C8 | C7 | N3 | H27 | 53.5° | 0.0° |
| C | C1 | C2 | C3 | 176.7° | 180.0° |
| C | C1 | C2 | H29 | 3.3° | 0.3° |
| C | C1 | C6 | H30 | 5.7° | 0.0° |
| C1 | C | N | H31 | 174.4° | 0.0° |
| C1 | C | N | H32 | 5.6° | 180.0° |
| N | C | C1 | C2 | 22.2° | 0.0° |
| C | N | H31 | H32 | 180.0° | 179.9° |
| C5 | C4 | C12 | C8 | 0.2° | 0.2° |
| C5 | C4 | C12 | C3 | 179.7° | 179.8° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| C5 | C4 | C12 | C11 | 179.1° | 179.8° |
| C5 | C4 | C3 | H6 | 179.9° | 179.8° |
| C4 | C5 | C6 | H30 | 176.8° | 180.0° |
| C23 | C24 | C25 | C20 | 2.6° | 0.0° |
| C23 | C24 | C25 | O2 | 177.6° | 180.0° |
| C23 | C24 | O2 | C26 | 58.2° | 0.0° |
| C23 | C24 | C25 | H20 | 177.4° | 179.9° |
| C19 | C20 | C25 | C24 | 179.7° | 180.0° |
| C19 | C20 | C21 | H5 | 3.3° | 0.0° |
| C19 | C20 | C25 | H20 | 0.3° | 0.1° |
| C20 | C19 | H21 | H22 | 119.6° | 120.0° |
| C20 | C19 | N4 | H23 | 62.6° | 56.0° |
| C20 | C25 | C24 | H20 | 180.0° | 179.9° |
| C20 | C25 | C24 | O2 | 175.0° | 179.9° |
| C25 | C20 | C21 | H5 | 177.2° | 179.8° |
| C25 | C20 | C19 | H21 | 142.4° | 150.0° |
| C25 | C20 | C19 | H22 | 22.7° | 30.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C1 | C2 | C3 | H29 | 180.0° | 179.7° |
| C1 | C2 | C3 | H6 | 178.5° | 180.0° |
| C2 | C1 | C6 | H30 | 178.1° | 179.8° |
| C25 | C24 | O2 | C26 | 124.2° | 180.0° |
| C25 | C24 | C23 | H15 | 179.2° | 180.0° |
| C24 | O2 | C26 | F1 | 104.3° | 60.0° |
| C24 | O2 | C26 | F | 21.6° | 60.0° |
| C24 | O2 | C26 | F2 | 137.7° | 180.0° |
| O2 | C24 | C23 | H15 | 3.4° | 0.0° |
| O2 | C24 | C25 | H20 | 5.0° | 0.0° |
| C9 | C8 | C12 | C4 | 177.9° | 180.0° |
| C8 | C9 | C10 | H7 | 180.0° | 179.9° |
| C9 | C8 | C12 | C11 | 1.1° | 0.0° |
| C8 | C9 | C10 | N2 | 0.1° | 0.1° |
| C8 | C9 | C10 | H28 | 179.9° | 180.0° |
| C8 | C12 | C4 | C11 | 178.9° | 180.0° |
| C8 | C12 | C4 | C3 | 179.4° | 180.0° |
| C12 | C8 | C9 | C10 | 0.3° | 0.1° |
| C8 | C12 | C11 | N2 | 1.5° | 0.0° |
| C12 | C8 | C9 | H7 | 179.7° | 180.0° |
| C8 | C12 | C11 | H8 | 178.5° | 180.0° |
| C12 | C4 | C3 | C2 | 179.8° | 180.0° |
| C4 | C12 | C11 | N2 | 177.4° | 180.0° |
| C12 | C4 | C3 | H6 | 0.2° | 0.0° |
| C4 | C12 | C11 | H8 | 2.6° | 0.0° |
| C4 | C3 | C2 | H6 | 180.0° | 179.9° |
| C3 | C4 | C12 | C11 | 0.6° | 0.0° |
| C4 | C3 | C2 | H29 | 178.5° | 179.8° |
| C9 | C10 | N2 | H28 | 180.0° | 179.9° |
| C9 | C10 | N2 | C11 | 0.3° | 0.1° |
| O2 | C26 | F1 | F | 129.0° | 120.0° |
| O2 | C26 | F1 | F2 | 115.4° | 120.0° |
| O2 | C26 | F | F2 | 116.8° | 120.0° |
| C12 | C11 | N2 | C10 | 1.1° | 0.1° |
| C12 | C11 | N2 | H8 | 180.0° | 180.0° |
| F1 | C26 | F | F2 | 118.7° | 120.0° |
| N2 | C10 | C9 | H7 | 179.9° | 179.9° |
| C10 | N2 | C11 | H8 | 178.9° | 180.0° |
| C11 | N2 | C10 | H28 | 179.7° | 180.0° |
| H1 | C13 | C14 | H9 | 168.4° | 55.0° |
| H1 | C13 | C14 | H10 | 72.0° | 65.0° |
| H1 | C13 | N3 | H27 | 70.6° | 120.0° |
| H2 | C13 | C14 | H9 | 71.1° | 65.0° |
| H2 | C13 | C14 | H10 | 48.5° | 175.0° |
| H2 | C13 | N3 | H27 | 168.9° | 120.0° |
| H3 | C15 | C16 | H11 | 166.3° | 60.0° |
| H3 | C15 | C16 | H12 | 74.3° | NaN° |
| H4 | C15 | C16 | H11 | 45.1° | 180.0° |
| H4 | C15 | C16 | H12 | 164.5° | 60.1° |
| H6 | C3 | C2 | H29 | 1.5° | 0.3° |
| H7 | C9 | C10 | H28 | 0.1° | 0.1° |
| H11 | C16 | C17 | H25 | 174.6° | 179.9° |
| H11 | C16 | C17 | H26 | 54.4° | 60.1° |
| H12 | C16 | C17 | H25 | 66.0° | 60.0° |
| H12 | C16 | C17 | H26 | 173.7° | 179.9° |
| H13 | C18 | N4 | H23 | 170.0° | 63.9° |
| H13 | C18 | C17 | H25 | 170.6° | 60.0° |
| H13 | C18 | C17 | H26 | 69.2° | 180.0° |
| H14 | C18 | N4 | H23 | 70.1° | 176.1° |
| H14 | C18 | C17 | H25 | 50.7° | 180.0° |
| H14 | C18 | C17 | H26 | 171.0° | 60.0° |
| H21 | C19 | N4 | H23 | 177.3° | 64.0° |
| H22 | C19 | N4 | H23 | 57.6° | 176.0° |
