A1BLT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C18 | sing | 1.44Å | 1.42Å | |
| O1 | C19 | sing | 1.44Å | 1.44Å | |
| C18 | C17 | sing | 1.54Å | 1.52Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| C17 | C20 | sing | 1.55Å | 1.54Å | |
| C20 | N6 | sing | 1.47Å | 1.48Å | |
| N6 | C24 | sing | 1.47Å | 1.47Å | |
| C24 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| N4 | C16 | sing | 1.39Å | 1.34Å | |
| C4 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C16 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| O2 | C28 | sing | 1.43Å | 1.42Å | |
| C7 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.53Å | 1.51Å | |
| C3 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C15 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | C8 | sing | 1.47Å | 1.46Å | Aromatic |
| C11 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | N5 | sing | 1.39Å | 1.36Å | |
| C13 | N3 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C23 | sing | 1.51Å | 1.51Å | |
| C12 | N3 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C29 | sing | 1.53Å | 1.53Å | |
| N5 | C29 | sing | 1.46Å | 1.46Å | |
| N3 | C23 | sing | 1.46Å | 1.46Å | |
| C29 | C26 | sing | 1.53Å | 1.53Å | |
| C14 | O3 | sing | 1.36Å | 1.37Å | |
| O3 | C22 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C25 | C21 | sing | 1.53Å | 1.52Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å | |
| N6 | H37 | sing | 1.01Å | 1.00Å | |
| O2 | H39 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | O1 | C19 | 105.5° | 107.0° |
| O1 | C18 | C17 | 106.1° | 107.3° |
| O1 | C18 | H12 | 110.3° | 109.8° |
| O1 | C18 | H13 | 110.3° | 109.8° |
| O1 | C19 | C20 | 106.6° | 103.5° |
| O1 | C19 | H14 | 110.2° | 110.6° |
| O1 | C19 | H15 | 110.2° | 110.7° |
| C18 | C17 | C20 | 103.2° | 104.2° |
| C18 | C17 | H10 | 111.0° | 110.5° |
| C18 | C17 | H11 | 111.0° | 110.6° |
| C17 | C18 | H12 | 110.3° | 109.9° |
| C17 | C18 | H13 | 110.3° | 109.9° |
| C19 | C20 | C17 | 104.2° | 102.1° |
| C19 | C20 | N6 | 109.1° | 110.9° |
| C20 | C19 | H14 | 110.2° | 110.6° |
| C20 | C19 | H15 | 110.2° | 110.6° |
| C19 | C20 | H16 | 109.8° | 110.9° |
| C17 | C20 | N6 | 113.2° | 111.0° |
| C20 | C17 | H10 | 111.0° | 110.5° |
| C20 | C17 | H11 | 111.0° | 110.5° |
| C17 | C20 | H16 | 109.7° | 110.9° |
| C20 | N6 | C24 | 115.5° | 111.0° |
| N6 | C20 | H16 | 110.6° | 110.8° |
| C20 | N6 | H37 | 108.0° | 111.0° |
| N6 | C24 | C9 | 109.5° | 109.5° |
| N6 | C24 | H25 | 109.4° | 109.4° |
| N6 | C24 | H26 | 109.5° | 109.5° |
| C24 | N6 | H37 | 107.9° | 111.1° |
| C24 | C9 | C4 | 121.5° | 120.0° |
| C24 | C9 | C7 | 120.2° | 119.9° |
| C9 | C24 | H25 | 109.5° | 109.5° |
| C9 | C24 | H26 | 109.5° | 109.4° |
| C4 | C9 | C7 | 118.2° | 120.1° |
| C9 | C4 | C6 | 121.2° | 120.1° |
| C9 | C4 | H5 | 119.5° | 120.0° |
| C9 | C7 | C10 | 122.0° | 120.0° |
| C9 | C7 | H1 | 119.0° | 120.0° |
| N4 | C16 | N1 | 117.5° | 119.0° |
| N4 | C16 | N2 | 117.1° | 119.0° |
| C16 | N4 | H8 | 109.5° | 120.0° |
| C16 | N4 | H9 | 109.5° | 120.0° |
| C4 | C6 | C14 | 119.6° | 119.9° |
| C4 | C6 | H4 | 120.2° | 120.1° |
| C6 | C4 | H5 | 119.4° | 119.9° |
| N1 | C16 | N2 | 125.5° | 122.0° |
| C16 | N1 | C11 | 116.7° | 120.5° |
| C16 | N2 | C15 | 118.5° | 121.1° |
| N1 | C11 | C8 | 130.4° | 134.2° |
| N1 | C11 | C13 | 122.5° | 119.4° |
| O2 | C28 | C27 | 110.8° | 109.5° |
| O2 | C28 | H33 | 109.2° | 109.5° |
| O2 | C28 | H34 | 109.1° | 109.5° |
| C28 | O2 | H39 | 109.5° | 114.0° |
| C7 | C10 | C14 | 118.3° | 120.0° |
| C7 | C10 | C23 | 121.1° | 120.0° |
| C10 | C7 | H1 | 119.0° | 120.0° |
| C28 | C27 | C29 | 113.6° | 109.4° |
| C28 | C27 | H31 | 108.4° | 109.5° |
| C28 | C27 | H32 | 108.4° | 109.5° |
| C27 | C28 | H33 | 109.1° | 109.5° |
| C27 | C28 | H34 | 109.2° | 109.5° |
| C8 | C3 | C1 | 119.6° | 119.8° |
| C3 | C8 | C11 | 134.5° | 133.5° |
| C3 | C8 | C12 | 119.0° | 119.9° |
| C8 | C3 | H6 | 120.2° | 120.1° |
| C3 | C1 | C2 | 120.7° | 120.2° |
| C3 | C1 | H2 | 119.7° | 119.9° |
| C1 | C3 | H6 | 120.2° | 120.1° |
| N2 | C15 | C13 | 119.5° | 118.8° |
| N2 | C15 | N5 | 118.0° | 120.5° |
| C8 | C11 | C13 | 106.8° | 106.5° |
| C11 | C8 | C12 | 106.5° | 106.5° |
| C11 | C13 | C15 | 117.2° | 118.1° |
| C11 | C13 | N3 | 108.9° | 108.5° |
| C8 | C12 | N3 | 109.3° | 108.4° |
| C8 | C12 | C5 | 121.4° | 119.3° |
| C1 | C2 | C5 | 120.6° | 120.6° |
| C2 | C1 | H2 | 119.7° | 119.9° |
| C1 | C2 | H7 | 119.7° | 119.6° |
| C6 | C14 | C10 | 120.7° | 119.9° |
| C6 | C14 | O3 | 124.5° | 120.1° |
| C14 | C6 | H4 | 120.2° | 120.0° |
| C13 | C15 | N5 | 122.5° | 120.6° |
| C15 | C13 | N3 | 133.9° | 133.3° |
| C15 | N5 | C29 | 123.8° | 120.0° |
| C15 | N5 | H36 | 105.8° | 119.9° |
| C13 | N3 | C12 | 108.5° | 110.1° |
| C13 | N3 | C23 | 127.1° | 124.9° |
| C14 | C10 | C23 | 120.6° | 120.0° |
| C10 | C14 | O3 | 114.8° | 120.1° |
| C10 | C23 | N3 | 114.0° | 109.5° |
| C10 | C23 | H23 | 108.3° | 109.5° |
| C10 | C23 | H24 | 108.3° | 109.5° |
| N3 | C12 | C5 | 129.2° | 132.3° |
| C12 | N3 | C23 | 124.4° | 125.0° |
| C12 | C5 | C2 | 118.5° | 120.1° |
| C12 | C5 | H3 | 120.8° | 119.9° |
| C2 | C5 | H3 | 120.8° | 120.0° |
| C5 | C2 | H7 | 119.7° | 119.8° |
| C27 | C29 | N5 | 110.9° | 109.5° |
| C27 | C29 | C26 | 113.6° | 109.5° |
| C29 | C27 | H31 | 108.4° | 109.5° |
| C29 | C27 | H32 | 108.5° | 109.5° |
| C27 | C29 | H35 | 107.0° | 109.5° |
| N5 | C29 | C26 | 110.4° | 109.5° |
| N5 | C29 | H35 | 107.8° | 109.5° |
| C29 | N5 | H36 | 105.8° | 120.0° |
| N3 | C23 | H23 | 108.3° | 109.5° |
| N3 | C23 | H24 | 108.3° | 109.5° |
| C29 | C26 | C25 | 113.8° | 109.5° |
| C29 | C26 | H29 | 108.4° | 109.5° |
| C29 | C26 | H30 | 108.4° | 109.5° |
| C26 | C29 | H35 | 107.0° | 109.5° |
| C14 | O3 | C22 | 118.0° | 117.0° |
| O3 | C22 | H20 | 109.5° | 109.5° |
| O3 | C22 | H21 | 109.4° | 109.5° |
| O3 | C22 | H22 | 109.4° | 109.6° |
| C26 | C25 | C21 | 112.3° | 109.5° |
| C26 | C25 | H27 | 108.8° | 109.5° |
| C26 | C25 | H28 | 108.8° | 109.5° |
| C25 | C26 | H29 | 108.4° | 109.4° |
| C25 | C26 | H30 | 108.4° | 109.5° |
| C25 | C21 | H17 | 109.5° | 109.5° |
| C25 | C21 | H18 | 109.5° | 109.5° |
| C25 | C21 | H19 | 109.5° | 109.5° |
| C21 | C25 | H27 | 108.7° | 109.5° |
| C21 | C25 | H28 | 108.7° | 109.5° |
| H8 | N4 | H9 | 109.4° | 120.0° |
| H10 | C17 | H11 | 109.5° | 110.5° |
| H12 | C18 | H13 | 109.4° | 110.0° |
| H14 | C19 | H15 | 109.5° | 110.7° |
| H17 | C21 | H18 | 109.5° | 109.5° |
| H17 | C21 | H19 | 109.4° | 109.4° |
| H18 | C21 | H19 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.5° | 109.4° |
| H20 | C22 | H22 | 109.5° | 109.4° |
| H21 | C22 | H22 | 109.5° | 109.4° |
| H23 | C23 | H24 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.4° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C18 | C17 | H12 | 119.5° | 119.4° |
| O1 | C18 | C17 | H13 | 119.5° | 119.4° |
| C18 | O1 | C19 | C20 | 33.0° | 40.1° |
| O1 | C18 | C17 | C20 | 29.7° | 2.0° |
| O1 | C18 | C17 | H10 | 148.7° | 120.7° |
| O1 | C18 | C17 | H11 | 89.3° | 116.7° |
| O1 | C18 | H12 | H13 | 121.5° | 121.0° |
| C18 | O1 | C19 | H14 | 152.6° | 158.5° |
| C18 | O1 | C19 | H15 | 86.5° | 78.5° |
| C19 | O1 | C18 | C17 | 39.5° | 26.5° |
| O1 | C19 | C20 | H14 | 119.5° | 118.5° |
| O1 | C19 | C20 | H15 | 119.6° | 118.6° |
| O1 | C19 | C20 | C17 | 13.6° | 37.0° |
| O1 | C19 | C20 | N6 | 134.8° | 155.3° |
| C19 | O1 | C18 | H12 | 79.9° | 92.9° |
| C19 | O1 | C18 | H13 | 159.0° | 146.0° |
| O1 | C19 | H14 | H15 | 121.3° | 123.0° |
| O1 | C19 | C20 | H16 | 103.8° | 81.2° |
| C18 | C17 | C20 | C19 | 9.3° | 20.9° |
| C18 | C17 | C20 | H10 | 119.0° | 118.7° |
| C18 | C17 | C20 | H11 | 119.0° | 118.8° |
| C18 | C17 | C20 | N6 | 109.2° | 139.1° |
| C18 | C17 | H10 | H11 | 122.9° | 122.7° |
| C17 | C18 | H12 | H13 | 121.6° | 121.2° |
| C18 | C17 | C20 | H16 | 126.8° | 97.3° |
| C19 | C20 | C17 | N6 | 118.4° | 118.2° |
| C19 | C20 | C17 | H16 | 117.5° | 118.2° |
| C19 | C20 | N6 | H16 | 120.9° | 123.6° |
| C19 | C20 | N6 | C24 | 162.7° | 100.1° |
| C19 | C20 | C17 | H10 | 128.3° | 97.8° |
| C19 | C20 | C17 | H11 | 109.7° | 139.7° |
| C20 | C19 | H14 | H15 | 121.3° | 122.9° |
| C19 | C20 | N6 | H37 | 41.8° | 24.0° |
| C17 | C20 | N6 | H16 | 123.6° | 123.7° |
| C17 | C20 | N6 | C24 | 81.8° | 147.2° |
| C20 | C17 | H10 | H11 | 122.9° | 122.6° |
| C20 | C17 | C18 | H12 | 89.8° | 117.4° |
| C20 | C17 | C18 | H13 | 149.2° | 121.4° |
| C17 | C20 | C19 | H14 | 133.2° | 155.5° |
| C17 | C20 | C19 | H15 | 105.9° | 81.5° |
| C17 | C20 | N6 | H37 | 157.3° | 88.7° |
| C20 | N6 | C24 | H37 | 120.9° | 124.0° |
| C20 | N6 | C24 | C9 | 166.8° | 171.8° |
| N6 | C20 | C17 | H10 | 9.8° | 20.4° |
| N6 | C20 | C17 | H11 | 131.8° | 102.1° |
| N6 | C20 | C19 | H14 | 105.6° | 86.3° |
| N6 | C20 | C19 | H15 | 15.3° | 36.7° |
| C20 | N6 | C24 | H25 | 73.2° | 68.1° |
| C20 | N6 | C24 | H26 | 46.8° | 51.9° |
| N6 | C24 | C9 | H25 | 120.0° | 120.0° |
| N6 | C24 | C9 | H26 | 120.0° | 120.0° |
| N6 | C24 | C9 | C4 | 108.7° | 58.8° |
| N6 | C24 | C9 | C7 | 68.4° | 121.2° |
| C24 | N6 | C20 | H16 | 41.8° | 23.5° |
| N6 | C24 | H25 | H26 | 120.0° | 120.0° |
| C24 | C9 | C4 | C7 | 177.2° | 179.9° |
| C24 | C9 | C4 | C6 | 175.8° | 179.9° |
| C24 | C9 | C7 | C10 | 175.6° | 179.9° |
| C24 | C9 | C7 | H1 | 4.4° | 0.3° |
| C24 | C9 | C4 | H5 | 4.2° | 0.0° |
| C9 | C24 | H25 | H26 | 120.0° | 120.0° |
| C9 | C24 | N6 | H37 | 45.9° | 64.1° |
| C9 | C4 | C6 | H5 | 180.0° | 180.0° |
| C4 | C9 | C7 | C10 | 1.6° | 0.0° |
| C9 | C4 | C6 | C14 | 0.1° | 0.2° |
| C4 | C9 | C7 | H1 | 178.3° | 179.8° |
| C9 | C4 | C6 | H4 | 179.9° | 179.7° |
| C4 | C9 | C24 | H25 | 131.3° | 178.8° |
| C4 | C9 | C24 | H26 | 11.3° | 61.2° |
| C7 | C9 | C4 | C6 | 1.3° | 0.0° |
| C9 | C7 | C10 | H1 | 180.0° | 179.8° |
| C9 | C7 | C10 | C14 | 0.5° | 0.2° |
| C9 | C7 | C10 | C23 | 179.6° | 179.7° |
| C7 | C9 | C4 | H5 | 178.7° | 179.9° |
| C7 | C9 | C24 | H25 | 51.6° | 1.2° |
| C7 | C9 | C24 | H26 | 171.6° | 118.9° |
| N4 | C16 | N1 | N2 | 179.7° | 179.9° |
| N4 | C16 | N1 | C11 | 178.2° | 180.0° |
| N4 | C16 | N2 | C15 | 179.4° | 180.0° |
| C16 | N4 | H8 | H9 | 120.0° | 180.0° |
| C4 | C6 | C14 | H4 | 180.0° | 179.5° |
| C4 | C6 | C14 | C10 | 1.2° | 0.5° |
| C4 | C6 | C14 | O3 | 177.6° | 180.0° |
| N1 | C16 | N2 | C15 | 0.3° | 0.1° |
| C16 | N1 | C11 | C8 | 178.3° | 180.0° |
| C16 | N1 | C11 | C13 | 4.6° | 0.0° |
| N1 | C16 | N4 | H8 | 0.0° | 0.1° |
| N1 | C16 | N4 | H9 | 120.0° | 180.0° |
| N2 | C16 | N1 | C11 | 2.1° | 0.1° |
| C16 | N2 | C15 | C13 | 0.3° | 0.1° |
| C16 | N2 | C15 | N5 | 177.9° | 180.0° |
| N2 | C16 | N4 | H8 | 179.7° | 179.9° |
| N2 | C16 | N4 | H9 | 59.7° | 0.1° |
| N1 | C11 | C8 | C3 | 3.2° | 0.1° |
| N1 | C11 | C8 | C13 | 174.4° | 180.0° |
| N1 | C11 | C8 | C12 | 173.4° | 180.0° |
| N1 | C11 | C13 | C15 | 4.6° | 0.0° |
| N1 | C11 | C13 | N3 | 175.0° | 180.0° |
| O2 | C28 | C27 | H33 | 120.2° | 120.0° |
| O2 | C28 | C27 | H34 | 120.2° | 120.0° |
| O2 | C28 | C27 | C29 | 175.5° | 180.0° |
| O2 | C28 | C27 | H31 | 63.9° | 60.0° |
| O2 | C28 | C27 | H32 | 54.9° | 60.0° |
| O2 | C28 | H33 | H34 | 119.4° | 120.0° |
| C7 | C10 | C14 | C6 | 1.0° | 0.4° |
| C7 | C10 | C14 | C23 | 179.9° | 179.9° |
| C7 | C10 | C23 | N3 | 37.1° | 75.0° |
| C7 | C10 | C14 | O3 | 178.0° | 180.0° |
| C7 | C10 | C23 | H23 | 83.5° | 165.0° |
| C7 | C10 | C23 | H24 | 157.8° | 45.1° |
| C28 | C27 | C29 | H31 | 120.6° | 120.0° |
| C28 | C27 | C29 | H32 | 120.6° | 120.0° |
| C28 | C27 | C29 | N5 | 55.0° | 67.9° |
| C28 | C27 | C29 | C26 | 179.9° | 172.1° |
| C28 | C27 | H31 | H32 | 118.1° | 120.0° |
| C27 | C28 | H33 | H34 | 119.4° | 120.1° |
| C28 | C27 | C29 | H35 | 62.3° | 52.1° |
| C27 | C28 | O2 | H39 | 180.0° | 180.0° |
| C8 | C3 | C1 | H6 | 180.0° | 179.9° |
| C3 | C8 | C11 | C12 | 176.6° | 179.9° |
| C3 | C8 | C11 | C13 | 177.6° | 179.9° |
| C8 | C3 | C1 | C2 | 1.3° | 0.0° |
| C3 | C8 | C12 | N3 | 178.9° | 180.0° |
| C3 | C8 | C12 | C5 | 4.3° | 0.0° |
| C8 | C3 | C1 | H2 | 178.7° | 180.0° |
| C1 | C3 | C8 | C11 | 176.8° | 180.0° |
| C1 | C3 | C8 | C12 | 0.5° | 0.0° |
| C3 | C1 | C2 | H2 | 180.0° | 180.0° |
| C3 | C1 | C2 | C5 | 0.5° | 0.0° |
| C3 | C1 | C2 | H7 | 179.5° | 180.0° |
| N2 | C15 | C13 | C11 | 2.0° | 0.0° |
| N2 | C15 | C13 | N5 | 178.1° | 179.9° |
| N2 | C15 | C13 | N3 | 177.5° | 180.0° |
| N2 | C15 | N5 | C29 | 4.6° | 6.0° |
| N2 | C15 | N5 | H36 | 126.6° | 173.9° |
| C8 | C11 | C13 | C15 | 179.6° | 180.0° |
| C8 | C11 | C13 | N3 | 0.1° | 0.0° |
| C11 | C8 | C12 | N3 | 1.7° | 0.0° |
| C11 | C8 | C12 | C5 | 178.4° | 180.0° |
| C11 | C8 | C3 | H6 | 3.2° | 0.1° |
| C13 | C11 | C8 | C12 | 1.0° | 0.0° |
| C11 | C13 | C15 | N3 | 179.5° | 180.0° |
| C11 | C13 | C15 | N5 | 179.9° | 179.9° |
| C11 | C13 | N3 | C12 | 1.1° | 0.0° |
| C11 | C13 | N3 | C23 | 179.2° | 180.0° |
| C8 | C12 | N3 | C13 | 1.7° | 0.0° |
| C8 | C12 | N3 | C5 | 176.4° | 180.0° |
| C8 | C12 | C5 | C2 | 6.2° | 0.0° |
| C8 | C12 | N3 | C23 | 179.9° | 180.0° |
| C8 | C12 | C5 | H3 | 173.9° | 180.0° |
| C12 | C8 | C3 | H6 | 179.5° | 180.0° |
| C1 | C2 | C5 | C12 | 4.2° | 0.0° |
| C1 | C2 | C5 | H7 | 180.0° | 180.0° |
| C1 | C2 | C5 | H3 | 175.8° | 180.0° |
| C2 | C1 | C3 | H6 | 178.7° | 179.9° |
| C6 | C14 | C10 | O3 | 178.9° | 179.5° |
| C6 | C14 | C10 | C23 | 179.0° | 179.4° |
| C6 | C14 | O3 | C22 | 7.5° | 5.3° |
| C14 | C6 | C4 | H5 | 179.9° | 179.7° |
| C15 | C13 | N3 | C12 | 178.5° | 180.0° |
| C13 | C15 | N5 | C29 | 173.5° | 173.9° |
| C15 | C13 | N3 | C23 | 0.4° | 0.0° |
| C13 | C15 | N5 | H36 | 51.6° | 6.2° |
| N5 | C15 | C13 | N3 | 0.6° | 0.1° |
| C15 | N5 | C29 | C27 | 147.9° | 80.0° |
| C15 | N5 | C29 | H36 | 122.0° | 179.9° |
| C15 | N5 | C29 | C26 | 85.4° | 160.0° |
| C15 | N5 | C29 | H35 | 31.1° | 40.0° |
| C13 | N3 | C23 | C10 | 84.5° | 98.2° |
| C13 | N3 | C12 | C23 | 178.1° | 180.0° |
| C13 | N3 | C12 | C5 | 178.2° | 180.0° |
| C13 | N3 | C23 | H23 | 154.8° | 141.8° |
| C13 | N3 | C23 | H24 | 36.2° | 21.9° |
| C14 | C10 | C23 | N3 | 142.9° | 104.9° |
| C10 | C14 | O3 | C22 | 171.4° | 175.1° |
| C14 | C10 | C7 | H1 | 179.5° | 180.0° |
| C10 | C14 | C6 | H4 | 178.7° | 180.0° |
| C14 | C10 | C23 | H23 | 96.4° | 15.1° |
| C14 | C10 | C23 | H24 | 22.3° | 135.1° |
| C10 | C23 | N3 | C12 | 97.7° | 81.8° |
| C10 | C23 | N3 | H23 | 120.7° | 120.0° |
| C10 | C23 | N3 | H24 | 120.7° | 120.0° |
| C23 | C10 | C14 | O3 | 2.1° | 0.1° |
| C23 | C10 | C7 | H1 | 0.4° | 0.1° |
| C10 | C23 | H23 | H24 | 117.9° | 120.0° |
| N3 | C12 | C5 | C2 | 177.8° | 180.0° |
| N3 | C12 | C5 | H3 | 2.2° | 0.0° |
| C12 | N3 | C23 | H23 | 23.0° | 38.2° |
| C12 | N3 | C23 | H24 | 141.6° | 158.1° |
| C12 | C5 | C2 | H3 | 180.0° | 180.0° |
| C5 | C12 | N3 | C23 | 3.7° | 0.0° |
| C12 | C5 | C2 | H7 | 175.8° | 179.9° |
| C5 | C2 | C1 | H2 | 179.4° | 180.0° |
| C27 | C29 | N5 | C26 | 126.7° | 120.0° |
| C27 | C29 | N5 | H35 | 116.8° | 120.0° |
| C27 | C29 | C26 | H35 | 117.8° | 120.0° |
| C27 | C29 | C26 | C25 | 59.7° | 174.0° |
| C27 | C29 | C26 | H29 | 60.9° | 54.0° |
| C27 | C29 | C26 | H30 | 179.6° | 66.0° |
| C29 | C27 | H31 | H32 | 118.1° | 120.0° |
| C29 | C27 | C28 | H33 | 55.3° | 60.0° |
| C29 | C27 | C28 | H34 | 64.3° | 60.0° |
| C27 | C29 | N5 | H36 | 90.2° | 100.1° |
| N5 | C29 | C26 | H35 | 117.0° | 120.0° |
| N5 | C29 | C26 | C25 | 65.5° | 66.0° |
| N5 | C29 | C26 | H29 | 173.9° | 174.0° |
| N5 | C29 | C26 | H30 | 55.2° | 54.0° |
| N5 | C29 | C27 | H31 | 65.7° | 52.2° |
| N5 | C29 | C27 | H32 | 175.6° | 172.1° |
| N3 | C23 | H23 | H24 | 117.9° | 120.0° |
| C29 | C26 | C25 | H29 | 120.6° | 120.0° |
| C29 | C26 | C25 | H30 | 120.6° | 120.1° |
| C29 | C26 | C25 | C21 | 172.1° | 178.4° |
| C29 | C26 | C25 | H27 | 51.7° | 61.6° |
| C29 | C26 | C25 | H28 | 67.5° | 58.4° |
| C29 | C26 | H29 | H30 | 118.0° | 120.0° |
| C26 | C29 | C27 | H31 | 59.3° | 67.9° |
| C26 | C29 | C27 | H32 | 59.5° | 52.1° |
| C26 | C29 | N5 | H36 | 36.6° | 19.9° |
| O3 | C14 | C6 | H4 | 2.4° | 0.5° |
| C14 | O3 | C22 | H20 | 180.0° | 55.2° |
| C14 | O3 | C22 | H21 | 60.0° | 64.8° |
| C14 | O3 | C22 | H22 | 60.0° | 175.2° |
| O3 | C22 | H20 | H21 | 120.0° | 120.0° |
| O3 | C22 | H20 | H22 | 120.0° | 120.1° |
| O3 | C22 | H21 | H22 | 120.0° | 120.1° |
| C26 | C25 | C21 | H27 | 120.4° | 120.0° |
| C26 | C25 | C21 | H28 | 120.4° | 120.0° |
| C26 | C25 | C21 | H17 | 180.0° | 64.5° |
| C26 | C25 | C21 | H18 | 60.0° | 175.4° |
| C26 | C25 | C21 | H19 | 60.0° | 55.4° |
| C26 | C25 | H27 | H28 | 118.7° | 120.0° |
| C25 | C26 | H29 | H30 | 118.1° | 119.9° |
| C25 | C26 | C29 | H35 | 177.5° | 54.0° |
| C25 | C21 | H17 | H18 | 120.0° | 120.0° |
| C25 | C21 | H17 | H19 | 120.0° | 120.0° |
| C25 | C21 | H18 | H19 | 120.0° | 120.0° |
| C21 | C25 | H27 | H28 | 118.7° | 120.0° |
| C21 | C25 | C26 | H29 | 67.3° | 58.4° |
| C21 | C25 | C26 | H30 | 51.4° | 61.6° |
| H2 | C1 | C3 | H6 | 1.3° | 0.0° |
| H2 | C1 | C2 | H7 | 0.6° | 0.0° |
| H3 | C5 | C2 | H7 | 4.2° | 0.0° |
| H4 | C6 | C4 | H5 | 0.1° | 0.2° |
| H10 | C17 | C18 | H12 | 29.2° | 1.3° |
| H10 | C17 | C18 | H13 | 91.9° | 119.9° |
| H10 | C17 | C20 | H16 | 114.2° | 144.0° |
| H11 | C17 | C18 | H12 | 151.2° | 123.9° |
| H11 | C17 | C18 | H13 | 30.1° | 2.7° |
| H11 | C17 | C20 | H16 | 7.8° | 21.5° |
| H14 | C19 | C20 | H16 | 15.7° | 37.3° |
| H15 | C19 | C20 | H16 | 136.6° | 160.3° |
| H16 | C20 | N6 | H37 | 79.1° | 147.6° |
| H17 | C21 | H18 | H19 | 120.0° | 120.0° |
| H17 | C21 | C25 | H27 | 59.5° | 175.5° |
| H17 | C21 | C25 | H28 | 59.6° | 55.5° |
| H18 | C21 | C25 | H27 | 179.6° | 55.4° |
| H18 | C21 | C25 | H28 | 60.4° | 64.5° |
| H19 | C21 | C25 | H27 | 60.4° | 64.6° |
| H19 | C21 | C25 | H28 | 179.6° | 175.4° |
| H20 | C22 | H21 | H22 | 120.0° | 119.9° |
| H25 | C24 | N6 | H37 | 165.9° | 55.9° |
| H26 | C24 | N6 | H37 | 74.1° | 175.9° |
| H27 | C25 | C26 | H29 | 172.3° | 178.4° |
| H27 | C25 | C26 | H30 | 69.0° | 58.4° |
| H28 | C25 | C26 | H29 | 53.1° | 61.7° |
| H28 | C25 | C26 | H30 | 171.8° | 178.4° |
| H29 | C26 | C29 | H35 | 56.8° | 66.0° |
| H30 | C26 | C29 | H35 | 61.9° | 174.0° |
| H31 | C27 | C28 | H33 | 175.9° | 60.0° |
| H31 | C27 | C28 | H34 | 56.3° | 180.0° |
| H31 | C27 | C29 | H35 | 177.0° | 172.2° |
| H32 | C27 | C28 | H33 | 65.3° | 180.0° |
| H32 | C27 | C28 | H34 | 175.1° | 60.0° |
| H32 | C27 | C29 | H35 | 58.3° | 67.8° |
| H33 | C28 | O2 | H39 | 59.8° | 60.0° |
| H34 | C28 | O2 | H39 | 59.8° | 60.0° |
| H35 | C29 | N5 | H36 | 153.1° | 139.9° |
