A1BZT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | N5 | sing | 1.40Å | 1.38Å | Aromatic |
| N6 | C30 | sing | 1.35Å | 1.38Å | Aromatic |
| N5 | C29 | doub | 1.31Å | 1.37Å | Aromatic |
| C30 | C28 | doub | 1.35Å | 1.40Å | Aromatic |
| C29 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.59Å | |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| C13 | N3 | sing | 1.47Å | 1.46Å | |
| C15 | O1 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.51Å | 1.47Å | |
| O | C | doub | 1.22Å | 1.26Å | |
| C16 | C17 | sing | 1.53Å | 1.57Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| N3 | C7 | sing | 1.38Å | 1.38Å | |
| N1 | C7 | doub | 1.31Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.34Å | 1.39Å | Aromatic |
| C27 | C22 | sing | 1.51Å | 1.49Å | |
| C6 | C5 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | N4 | sing | 1.47Å | 1.50Å | |
| N4 | C19 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | sing | 1.46Å | 1.46Å | Aromatic |
| C | C1 | sing | 1.48Å | 1.49Å | |
| C | N | sing | 1.35Å | 1.36Å | |
| C22 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.44Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.44Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C20 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C8 | C12 | sing | 1.42Å | 1.43Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | O2 | sing | 1.36Å | 1.38Å | |
| C4 | C12 | sing | 1.47Å | 1.45Å | Aromatic |
| C4 | C3 | doub | 1.40Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.37Å | 1.41Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.39Å | Aromatic |
| O2 | C26 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | doub | 1.39Å | 1.45Å | Aromatic |
| F1 | C26 | sing | 1.40Å | 1.32Å | |
| C26 | F | sing | 1.40Å | 1.34Å | |
| C26 | F2 | sing | 1.40Å | 1.32Å | |
| C10 | N2 | doub | 1.32Å | 1.37Å | Aromatic |
| C11 | N2 | sing | 1.32Å | 1.37Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | 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 | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.08Å | 1.08Å | |
| C27 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C30 | H22 | sing | 1.08Å | 1.08Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| N4 | H29 | sing | 1.01Å | 1.00Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| N3 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | N6 | C30 | 111.9° | 107.9° |
| N6 | N5 | C29 | 105.8° | 108.2° |
| N5 | N6 | H23 | 124.0° | 126.0° |
| N6 | C30 | C28 | 106.0° | 107.8° |
| N6 | C30 | H22 | 127.0° | 126.1° |
| C30 | N6 | H23 | 124.0° | 126.0° |
| N5 | C29 | C28 | 109.5° | 108.2° |
| N5 | C29 | H24 | 125.2° | 125.9° |
| C30 | C28 | C29 | 106.8° | 107.9° |
| C30 | C28 | C27 | 126.5° | 126.1° |
| C28 | C30 | H22 | 127.0° | 126.1° |
| C29 | C28 | C27 | 126.7° | 126.0° |
| C28 | C29 | H24 | 125.3° | 125.9° |
| C13 | C14 | O1 | 107.9° | 109.5° |
| C14 | C13 | N3 | 108.2° | 109.5° |
| C14 | C13 | H9 | 109.8° | 109.5° |
| C14 | C13 | H10 | 109.8° | 109.5° |
| C13 | C14 | H11 | 109.8° | 109.4° |
| C13 | C14 | H12 | 109.9° | 109.5° |
| C14 | O1 | C15 | 112.2° | 114.0° |
| O1 | C14 | H11 | 109.9° | 109.5° |
| O1 | C14 | H12 | 109.8° | 109.5° |
| C13 | N3 | C7 | 123.3° | 120.0° |
| N3 | C13 | H9 | 109.8° | 109.4° |
| N3 | C13 | H10 | 109.8° | 109.5° |
| C13 | N3 | H33 | 105.9° | 120.0° |
| O1 | C15 | C16 | 107.3° | 109.4° |
| O1 | C15 | H13 | 110.0° | 109.5° |
| O1 | C15 | H14 | 110.0° | 109.5° |
| C15 | C16 | C17 | 110.8° | 109.5° |
| C16 | C15 | H13 | 110.0° | 109.4° |
| C16 | C15 | H14 | 110.0° | 109.4° |
| C15 | C16 | H15 | 109.1° | 109.4° |
| C15 | C16 | H16 | 109.2° | 109.5° |
| C28 | C27 | C22 | 109.0° | 109.5° |
| C28 | C27 | H20 | 109.6° | 109.4° |
| C28 | C27 | H21 | 109.6° | 109.5° |
| O | C | C1 | 123.0° | 120.0° |
| O | C | N | 121.4° | 120.0° |
| C16 | C17 | C18 | 108.3° | 109.5° |
| C17 | C16 | H15 | 109.1° | 109.5° |
| C17 | C16 | H16 | 109.1° | 109.5° |
| C16 | C17 | H17 | 109.8° | 109.4° |
| C16 | C17 | H18 | 109.8° | 109.5° |
| C17 | C18 | N4 | 110.2° | 109.5° |
| C18 | C17 | H17 | 109.8° | 109.5° |
| C18 | C17 | H18 | 109.8° | 109.5° |
| C17 | C18 | H31 | 109.3° | 109.5° |
| C17 | C18 | H32 | 109.3° | 109.5° |
| N3 | C7 | N1 | 117.9° | 119.7° |
| N3 | C7 | C8 | 118.1° | 119.8° |
| C7 | N3 | H33 | 105.9° | 120.0° |
| C7 | N1 | C5 | 117.6° | 123.4° |
| N1 | C7 | C8 | 123.9° | 120.6° |
| N1 | C5 | C6 | 115.4° | 120.0° |
| N1 | C5 | C4 | 123.6° | 121.1° |
| C27 | C22 | C21 | 121.8° | 119.9° |
| C27 | C22 | C23 | 117.7° | 120.0° |
| C22 | C27 | H20 | 109.6° | 109.4° |
| C22 | C27 | H21 | 109.6° | 109.5° |
| C5 | C6 | C1 | 117.8° | 119.8° |
| C6 | C5 | C4 | 121.0° | 118.9° |
| C5 | C6 | H5 | 121.1° | 120.1° |
| C6 | C1 | C | 119.2° | 119.8° |
| C6 | C1 | C2 | 121.9° | 120.4° |
| C1 | C6 | H5 | 121.1° | 120.1° |
| C18 | N4 | C19 | 109.6° | 111.0° |
| C18 | N4 | H29 | 109.4° | 111.0° |
| N4 | C18 | H31 | 109.3° | 109.5° |
| N4 | C18 | H32 | 109.3° | 109.4° |
| N4 | C19 | C20 | 110.2° | 109.5° |
| N4 | C19 | H27 | 109.3° | 109.5° |
| N4 | C19 | H28 | 109.3° | 109.5° |
| C19 | N4 | H29 | 109.4° | 111.0° |
| C7 | C8 | C9 | 122.9° | 122.9° |
| C7 | C8 | C12 | 117.5° | 118.8° |
| C1 | C | N | 115.6° | 120.0° |
| C | C1 | C2 | 118.8° | 119.8° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.1° |
| C22 | C21 | C20 | 120.1° | 120.1° |
| C22 | C21 | H25 | 119.9° | 120.0° |
| C22 | C23 | C24 | 117.3° | 120.0° |
| C22 | C23 | H19 | 121.4° | 120.0° |
| C21 | C20 | C19 | 122.2° | 120.0° |
| C21 | C20 | C25 | 120.0° | 120.1° |
| C20 | C21 | H25 | 120.0° | 119.9° |
| C5 | C4 | C12 | 117.5° | 118.5° |
| C5 | C4 | C3 | 119.1° | 120.2° |
| C1 | C2 | C3 | 120.2° | 120.4° |
| C1 | C2 | H3 | 119.9° | 119.7° |
| C23 | C24 | C25 | 123.6° | 119.9° |
| C23 | C24 | O2 | 120.5° | 120.1° |
| C24 | C23 | H19 | 121.3° | 120.0° |
| C19 | C20 | C25 | 117.8° | 119.9° |
| C20 | C19 | H27 | 109.3° | 109.5° |
| C20 | C19 | H28 | 109.3° | 109.5° |
| C20 | C25 | C24 | 118.4° | 119.9° |
| C20 | C25 | H26 | 120.8° | 120.1° |
| C9 | C8 | C12 | 119.6° | 118.3° |
| C8 | C9 | C10 | 119.4° | 118.5° |
| C8 | C9 | H6 | 120.3° | 120.8° |
| C8 | C12 | C4 | 119.7° | 117.7° |
| C8 | C12 | C11 | 117.2° | 119.0° |
| C25 | C24 | O2 | 115.8° | 120.1° |
| C24 | C25 | H26 | 120.8° | 120.0° |
| C24 | O2 | C26 | 120.1° | 117.0° |
| C12 | C4 | C3 | 123.3° | 121.3° |
| C4 | C12 | C11 | 123.0° | 123.3° |
| C4 | C3 | C2 | 119.9° | 120.2° |
| C4 | C3 | H4 | 120.0° | 119.9° |
| C9 | C10 | N2 | 123.0° | 121.8° |
| C10 | C9 | H6 | 120.3° | 120.7° |
| C9 | C10 | H7 | 118.5° | 119.0° |
| C3 | C2 | H3 | 119.9° | 119.8° |
| C2 | C3 | H4 | 120.1° | 119.9° |
| O2 | C26 | F1 | 107.9° | 109.5° |
| O2 | C26 | F | 113.3° | 109.5° |
| O2 | C26 | F2 | 113.3° | 109.5° |
| C12 | C11 | N2 | 122.4° | 119.7° |
| C12 | C11 | H8 | 118.8° | 120.2° |
| F1 | C26 | F | 109.7° | 109.4° |
| F1 | C26 | F2 | 109.8° | 109.5° |
| F | C26 | F2 | 102.9° | 109.5° |
| C10 | N2 | C11 | 118.3° | 122.6° |
| N2 | C10 | H7 | 118.5° | 119.1° |
| N2 | C11 | H8 | 118.8° | 120.1° |
| H1 | N | H2 | 120.0° | 120.0° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H13 | C15 | H14 | 109.4° | 109.5° |
| H15 | C16 | H16 | 109.4° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H20 | C27 | H21 | 109.4° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.4° |
| H31 | C18 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | N6 | C30 | H23 | 180.0° | 179.7° |
| N5 | N6 | C30 | C28 | 0.3° | 0.0° |
| N6 | N5 | C29 | C28 | 0.3° | 0.4° |
| N5 | N6 | C30 | H22 | 179.7° | 179.9° |
| N6 | N5 | C29 | H24 | 179.7° | 180.0° |
| C30 | N6 | N5 | C29 | 0.4° | 0.3° |
| N6 | C30 | C28 | H22 | 180.0° | 180.0° |
| N6 | C30 | C28 | C29 | 0.1° | 0.2° |
| N6 | C30 | C28 | C27 | 179.6° | 180.0° |
| N5 | C29 | C28 | C30 | 0.2° | 0.4° |
| N5 | C29 | C28 | H24 | 180.0° | 179.5° |
| N5 | C29 | C28 | C27 | 179.4° | 179.8° |
| C29 | N5 | N6 | H23 | 179.6° | 180.0° |
| C30 | C28 | C29 | C27 | 179.6° | 179.8° |
| C30 | C28 | C27 | C22 | 77.4° | 89.9° |
| C30 | C28 | C27 | H20 | 162.7° | 30.0° |
| C30 | C28 | C27 | H21 | 42.5° | 150.0° |
| C28 | C30 | N6 | H23 | 179.7° | 179.7° |
| C30 | C28 | C29 | H24 | 179.8° | 180.0° |
| C29 | C28 | C27 | C22 | 103.1° | 90.3° |
| C29 | C28 | C27 | H20 | 16.8° | 149.7° |
| C29 | C28 | C27 | H21 | 136.9° | 29.7° |
| C29 | C28 | C30 | H22 | 179.9° | 179.8° |
| C13 | C14 | O1 | H11 | 119.8° | 120.0° |
| C13 | C14 | O1 | H12 | 119.8° | 120.0° |
| C14 | C13 | N3 | H9 | 119.8° | 120.0° |
| C14 | C13 | N3 | H10 | 119.8° | 120.0° |
| C13 | C14 | O1 | C15 | 168.9° | 180.0° |
| C14 | C13 | N3 | C7 | 75.5° | 179.9° |
| C14 | C13 | H9 | H10 | 120.6° | 120.0° |
| C13 | C14 | H11 | H12 | 120.7° | 119.9° |
| C14 | C13 | N3 | H33 | 46.3° | 0.0° |
| O1 | C14 | C13 | N3 | 66.1° | 65.0° |
| C14 | O1 | C15 | C16 | 157.3° | 180.0° |
| O1 | C14 | C13 | H9 | 53.7° | 175.0° |
| O1 | C14 | C13 | H10 | 174.1° | 55.0° |
| O1 | C14 | H11 | H12 | 120.7° | 120.0° |
| C14 | O1 | C15 | H13 | 37.6° | 60.0° |
| C14 | O1 | C15 | H14 | 83.0° | 60.0° |
| C13 | N3 | C7 | H33 | 121.9° | 179.9° |
| C13 | N3 | C7 | N1 | 0.4° | 0.0° |
| C13 | N3 | C7 | C8 | 176.4° | 180.0° |
| N3 | C13 | H9 | H10 | 120.6° | 120.0° |
| N3 | C13 | C14 | H11 | 53.7° | 55.0° |
| N3 | C13 | C14 | H12 | 174.2° | 174.9° |
| O1 | C15 | C16 | H13 | 119.7° | 120.0° |
| O1 | C15 | C16 | H14 | 119.7° | 120.0° |
| O1 | C15 | C16 | C17 | 165.6° | 180.0° |
| C15 | O1 | C14 | H11 | 71.3° | 60.0° |
| C15 | O1 | C14 | H12 | 49.2° | 60.0° |
| O1 | C15 | H13 | H14 | 121.0° | 120.1° |
| O1 | C15 | C16 | H15 | 74.1° | 60.0° |
| O1 | C15 | C16 | H16 | 45.4° | 60.0° |
| C15 | C16 | C17 | H15 | 120.2° | 120.0° |
| C15 | C16 | C17 | H16 | 120.2° | 120.0° |
| C15 | C16 | C17 | C18 | 175.8° | 180.0° |
| C16 | C15 | H13 | H14 | 121.0° | 120.0° |
| C15 | C16 | H15 | H16 | 119.4° | 120.0° |
| C15 | C16 | C17 | H17 | 64.4° | 60.0° |
| C15 | C16 | C17 | H18 | 55.9° | 59.9° |
| C28 | C27 | C22 | H20 | 120.0° | 119.9° |
| C28 | C27 | C22 | H21 | 119.9° | 120.1° |
| C28 | C27 | C22 | C21 | 93.5° | 90.1° |
| C28 | C27 | C22 | C23 | 87.5° | 90.0° |
| C28 | C27 | H20 | H21 | 120.2° | 120.0° |
| C27 | C28 | C30 | H22 | 0.3° | 0.0° |
| C27 | C28 | C29 | H24 | 0.6° | 0.3° |
| O | C | C1 | C6 | 24.3° | 0.2° |
| O | C | C1 | N | 176.1° | 180.0° |
| O | C | C1 | C2 | 158.6° | 180.0° |
| O | C | N | H1 | 0.0° | 180.0° |
| O | C | N | H2 | 180.0° | 0.2° |
| C16 | C17 | C18 | H17 | 119.8° | 119.9° |
| C16 | C17 | C18 | H18 | 119.8° | 120.0° |
| C16 | C17 | C18 | N4 | 178.7° | 180.0° |
| C17 | C16 | C15 | H13 | 46.0° | 60.0° |
| C17 | C16 | C15 | H14 | 74.7° | 60.0° |
| C17 | C16 | H15 | H16 | 119.4° | 120.1° |
| C16 | C17 | H17 | H18 | 120.6° | 120.0° |
| C16 | C17 | C18 | H31 | 58.6° | 60.0° |
| C16 | C17 | C18 | H32 | 61.1° | 60.0° |
| C17 | C18 | N4 | H31 | 120.1° | 120.0° |
| C17 | C18 | N4 | H32 | 120.1° | 120.0° |
| C17 | C18 | N4 | C19 | 174.5° | 180.0° |
| C18 | C17 | C16 | H15 | 55.5° | 60.0° |
| C18 | C17 | C16 | H16 | 64.0° | 60.0° |
| C18 | C17 | H17 | H18 | 120.5° | 120.1° |
| C17 | C18 | N4 | H29 | 54.5° | 56.1° |
| C17 | C18 | H31 | H32 | 119.7° | 120.0° |
| N3 | C7 | N1 | C8 | 175.8° | 180.0° |
| N3 | C7 | N1 | C5 | 174.9° | 180.0° |
| N3 | C7 | C8 | C9 | 7.3° | 0.1° |
| N3 | C7 | C8 | C12 | 172.0° | 180.0° |
| C7 | N3 | C13 | H9 | 164.6° | 60.1° |
| C7 | N3 | C13 | H10 | 44.2° | 59.9° |
| C7 | N1 | C5 | C6 | 177.0° | 180.0° |
| C7 | N1 | C5 | C4 | 2.4° | 0.1° |
| N1 | C7 | C8 | C9 | 177.0° | 180.0° |
| N1 | C7 | C8 | C12 | 3.8° | 0.0° |
| N1 | C7 | N3 | H33 | 121.5° | 180.0° |
| N1 | C5 | C6 | C4 | 179.4° | 179.9° |
| N1 | C5 | C6 | C1 | 177.7° | 180.0° |
| C5 | N1 | C7 | C8 | 0.9° | 0.0° |
| N1 | C5 | C4 | C12 | 2.6° | 0.1° |
| N1 | C5 | C4 | C3 | 178.6° | 179.9° |
| N1 | C5 | C6 | H5 | 2.3° | 0.1° |
| C27 | C22 | C21 | C23 | 179.0° | 179.9° |
| C27 | C22 | C21 | C20 | 178.0° | 180.0° |
| C27 | C22 | C23 | C24 | 176.6° | 180.0° |
| C27 | C22 | C23 | H19 | 3.4° | 0.1° |
| C22 | C27 | H20 | H21 | 120.2° | 120.1° |
| C27 | C22 | C21 | H25 | 1.9° | 0.1° |
| C5 | C6 | C1 | H5 | 180.0° | 179.9° |
| C5 | C6 | C1 | C | 175.6° | 179.7° |
| C5 | C6 | C1 | C2 | 1.5° | 0.1° |
| C6 | C5 | C4 | C12 | 176.8° | 179.9° |
| C6 | C5 | C4 | C3 | 2.0° | 0.0° |
| C6 | C1 | C | C2 | 177.2° | 179.8° |
| C6 | C1 | C | N | 151.8° | 179.8° |
| C1 | C6 | C5 | C4 | 2.9° | 0.1° |
| C6 | C1 | C2 | C3 | 0.7° | 0.1° |
| C6 | C1 | C2 | H3 | 179.3° | 180.0° |
| C18 | N4 | C19 | H29 | 120.0° | 123.9° |
| C18 | N4 | C19 | C20 | 174.3° | 180.0° |
| N4 | C18 | C17 | H17 | 61.5° | 60.1° |
| N4 | C18 | C17 | H18 | 58.9° | 60.0° |
| C18 | N4 | C19 | H27 | 54.2° | 60.0° |
| C18 | N4 | C19 | H28 | 65.6° | 60.0° |
| N4 | C18 | H31 | H32 | 119.7° | 120.0° |
| N4 | C19 | C20 | C21 | 100.8° | 89.9° |
| N4 | C19 | C20 | H27 | 120.1° | 120.1° |
| N4 | C19 | C20 | H28 | 120.1° | 120.0° |
| N4 | C19 | C20 | C25 | 79.1° | 90.0° |
| N4 | C19 | H27 | H28 | 119.7° | 120.0° |
| C19 | N4 | C18 | H31 | 65.4° | 60.0° |
| C19 | N4 | C18 | H32 | 54.3° | 60.0° |
| C7 | C8 | C9 | C12 | 179.3° | 180.0° |
| C7 | C8 | C12 | C4 | 3.4° | 0.0° |
| C7 | C8 | C9 | C10 | 177.0° | 180.0° |
| C7 | C8 | C12 | C11 | 177.0° | 180.0° |
| C7 | C8 | C9 | H6 | 3.0° | 0.0° |
| C8 | C7 | N3 | H33 | 54.5° | 0.0° |
| C | C1 | C2 | C3 | 177.8° | 179.7° |
| C1 | C | N | H1 | 176.1° | 0.1° |
| C1 | C | N | H2 | 3.9° | 179.8° |
| C | C1 | C2 | H3 | 2.2° | 0.2° |
| C | C1 | C6 | H5 | 4.4° | 0.2° |
| N | C | C1 | C2 | 25.4° | 0.0° |
| C | N | H1 | H2 | 180.0° | 179.8° |
| C22 | C21 | C20 | H25 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 2.4° | 0.1° |
| C22 | C21 | C20 | C19 | 179.6° | 180.0° |
| C22 | C21 | C20 | C25 | 0.3° | 0.1° |
| C21 | C22 | C23 | H19 | 177.6° | 180.0° |
| C21 | C22 | C27 | H20 | 146.6° | 150.0° |
| C21 | C22 | C27 | H21 | 26.5° | 30.0° |
| C23 | C22 | C21 | C20 | 0.9° | 0.1° |
| C22 | C23 | C24 | H19 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 2.8° | 0.0° |
| C22 | C23 | C24 | O2 | 173.2° | 179.7° |
| C23 | C22 | C27 | H20 | 32.4° | 29.9° |
| C23 | C22 | C27 | H21 | 152.5° | 149.9° |
| C23 | C22 | C21 | H25 | 179.1° | 180.0° |
| C21 | C20 | C19 | C25 | 179.9° | 180.0° |
| C21 | C20 | C25 | C24 | 0.0° | 0.0° |
| C21 | C20 | C25 | H26 | 180.0° | 179.7° |
| C21 | C20 | C19 | H27 | 19.3° | 150.0° |
| C21 | C20 | C19 | H28 | 139.1° | 30.0° |
| C5 | C4 | C12 | C8 | 0.5° | 0.0° |
| C5 | C4 | C12 | C3 | 178.8° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C5 | C4 | C12 | C11 | 180.0° | 180.0° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 177.1° | 180.0° |
| C1 | C2 | C3 | C4 | 1.5° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H4 | 178.5° | 180.0° |
| C2 | C1 | C6 | H5 | 178.5° | 180.0° |
| C23 | C24 | C25 | C20 | 1.6° | 0.0° |
| C23 | C24 | C25 | O2 | 176.1° | 179.7° |
| C23 | C24 | O2 | C26 | 52.2° | 179.7° |
| C23 | C24 | C25 | H26 | 178.4° | 179.7° |
| C19 | C20 | C25 | C24 | 179.8° | 180.0° |
| C19 | C20 | C21 | H25 | 0.5° | 0.1° |
| C19 | C20 | C25 | H26 | 0.1° | 0.3° |
| C20 | C19 | H27 | H28 | 119.7° | 120.0° |
| C20 | C19 | N4 | H29 | 65.7° | 56.1° |
| C20 | C25 | C24 | H26 | 180.0° | 179.7° |
| C20 | C25 | C24 | O2 | 174.6° | 179.7° |
| C25 | C20 | C21 | H25 | 179.6° | 180.0° |
| C25 | C20 | C19 | H27 | 160.8° | 30.0° |
| C25 | C20 | C19 | H28 | 41.0° | 150.0° |
| C9 | C8 | C12 | C4 | 177.3° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 180.0° |
| C9 | C8 | C12 | C11 | 2.3° | 0.0° |
| C8 | C9 | C10 | N2 | 0.7° | 0.0° |
| C8 | C9 | C10 | H7 | 179.4° | 180.0° |
| C8 | C12 | C4 | C11 | 179.6° | 180.0° |
| C8 | C12 | C4 | C3 | 178.3° | 179.9° |
| C12 | C8 | C9 | C10 | 2.3° | 0.0° |
| C8 | C12 | C11 | N2 | 0.7° | 0.1° |
| C12 | C8 | C9 | H6 | 177.7° | 180.0° |
| C8 | C12 | C11 | H8 | 179.3° | 180.0° |
| C25 | C24 | O2 | C26 | 124.0° | 0.0° |
| C25 | C24 | C23 | H19 | 177.2° | 179.9° |
| C24 | O2 | C26 | F1 | 111.1° | 180.0° |
| C24 | O2 | C26 | F | 10.4° | 60.0° |
| C24 | O2 | C26 | F2 | 127.2° | 60.0° |
| O2 | C24 | C23 | H19 | 6.8° | 0.4° |
| O2 | C24 | C25 | H26 | 5.5° | 0.0° |
| C12 | C4 | C3 | C2 | 179.0° | 180.0° |
| C4 | C12 | C11 | N2 | 178.9° | 179.9° |
| C12 | C4 | C3 | H4 | 1.0° | 0.1° |
| C4 | C12 | C11 | H8 | 1.1° | 0.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C3 | C4 | C12 | C11 | 1.2° | 0.1° |
| C4 | C3 | C2 | H3 | 178.4° | 180.0° |
| C9 | C10 | N2 | H7 | 180.0° | 180.0° |
| C9 | C10 | N2 | C11 | 1.0° | 0.1° |
| O2 | C26 | F1 | F | 123.8° | 120.0° |
| O2 | C26 | F1 | F2 | 123.8° | 120.0° |
| O2 | C26 | F | F2 | 122.7° | 120.0° |
| C12 | C11 | N2 | C10 | 0.9° | 0.1° |
| C12 | C11 | N2 | H8 | 180.0° | 179.9° |
| F1 | C26 | F | F2 | 116.8° | 120.0° |
| N2 | C10 | C9 | H6 | 179.3° | 180.0° |
| C10 | N2 | C11 | H8 | 179.1° | 180.0° |
| C11 | N2 | C10 | H7 | 179.0° | 179.9° |
| H3 | C2 | C3 | H4 | 1.6° | 0.0° |
| H6 | C9 | C10 | H7 | 0.6° | 0.0° |
| H9 | C13 | C14 | H11 | 173.5° | 64.9° |
| H9 | C13 | C14 | H12 | 66.0° | 55.0° |
| H9 | C13 | N3 | H33 | 73.5° | 120.0° |
| H10 | C13 | C14 | H11 | 66.1° | 175.1° |
| H10 | C13 | C14 | H12 | 54.4° | 65.0° |
| H10 | C13 | N3 | H33 | 166.1° | 120.0° |
| H13 | C15 | C16 | H15 | 166.2° | 180.0° |
| H13 | C15 | C16 | H16 | 74.2° | 60.0° |
| H14 | C15 | C16 | H15 | 45.5° | 60.0° |
| H14 | C15 | C16 | H16 | 165.1° | 180.0° |
| H15 | C16 | C17 | H17 | 175.3° | 180.0° |
| H15 | C16 | C17 | H18 | 64.3° | 60.0° |
| H16 | C16 | C17 | H17 | 55.8° | 60.0° |
| H16 | C16 | C17 | H18 | 176.1° | 180.0° |
| H17 | C17 | C18 | H31 | 178.4° | 179.9° |
| H17 | C17 | C18 | H32 | 58.7° | 59.9° |
| H18 | C17 | C18 | H31 | 61.2° | 60.0° |
| H18 | C17 | C18 | H32 | 179.0° | 180.0° |
| H22 | C30 | N6 | H23 | 0.3° | 0.2° |
| H27 | C19 | N4 | H29 | 174.2° | 63.9° |
| H28 | C19 | N4 | H29 | 54.4° | 176.1° |
| H29 | N4 | C18 | H31 | 174.6° | 176.1° |
| H29 | N4 | C18 | H32 | 65.7° | 63.9° |
