A1A4X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C22 | sing | 1.43Å | 1.42Å | |
| O4 | C13 | sing | 1.36Å | 1.36Å | |
| C25 | C21 | sing | 1.53Å | 1.52Å | |
| C25 | N4 | sing | 1.47Å | 1.47Å | |
| C26 | N3 | sing | 1.46Å | 1.47Å | |
| C26 | C24 | sing | 1.53Å | 1.52Å | |
| C13 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C16 | sing | 1.36Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| N4 | N2 | sing | 1.28Å | 1.36Å | Aromatic |
| N4 | C14 | sing | 1.37Å | 1.36Å | Aromatic |
| C3 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C27 | sing | 1.53Å | 1.52Å | |
| N2 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | N6 | sing | 1.38Å | 1.31Å | |
| C16 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| N6 | C18 | sing | 1.35Å | 1.35Å | |
| C9 | C17 | sing | 1.48Å | 1.50Å | |
| C9 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C17 | doub | 1.22Å | 1.24Å | |
| C2 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | N5 | sing | 1.35Å | 1.33Å | |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C18 | sing | 1.47Å | 1.49Å | |
| C14 | C8 | doub | 1.38Å | 1.37Å | Aromatic |
| C18 | O2 | doub | 1.22Å | 1.23Å | |
| C4 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.51Å | 1.50Å | |
| C10 | C23 | sing | 1.51Å | 1.50Å | |
| C27 | N7 | sing | 1.47Å | 1.46Å | |
| N7 | C19 | sing | 1.35Å | 1.34Å | |
| O5 | C19 | sing | 1.35Å | 1.35Å | |
| O5 | C23 | sing | 1.45Å | 1.45Å | |
| C19 | O3 | doub | 1.22Å | 1.22Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| N5 | H28 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| N7 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O4 | C13 | 117.2° | 116.9° |
| O4 | C22 | H15 | 109.5° | 109.4° |
| O4 | C22 | H16 | 109.5° | 109.5° |
| O4 | C22 | H17 | 109.5° | 109.5° |
| O4 | C13 | C7 | 123.7° | 120.1° |
| O4 | C13 | C12 | 116.1° | 120.0° |
| C21 | C25 | N4 | 112.4° | 109.5° |
| C25 | C21 | H13 | 109.5° | 109.5° |
| C25 | C21 | H12 | 109.5° | 109.5° |
| C25 | C21 | H14 | 109.5° | 109.5° |
| C21 | C25 | H23 | 108.7° | 109.5° |
| C21 | C25 | H22 | 108.7° | 109.5° |
| C25 | N4 | N2 | 117.8° | 125.2° |
| C25 | N4 | C14 | 130.6° | 125.2° |
| N4 | C25 | H23 | 108.7° | 109.4° |
| N4 | C25 | H22 | 108.7° | 109.4° |
| N3 | C26 | C24 | 112.8° | 109.5° |
| C26 | N3 | C12 | 127.6° | 126.3° |
| C26 | N3 | C16 | 124.4° | 126.4° |
| N3 | C26 | H25 | 108.6° | 109.5° |
| N3 | C26 | H24 | 108.7° | 109.5° |
| C26 | C24 | C27 | 117.7° | 109.5° |
| C26 | C24 | H20 | 107.4° | 109.5° |
| C26 | C24 | H21 | 107.4° | 109.5° |
| C24 | C26 | H25 | 108.6° | 109.5° |
| C24 | C26 | H24 | 108.6° | 109.5° |
| C7 | C13 | C12 | 120.2° | 120.0° |
| C13 | C7 | C9 | 120.3° | 120.2° |
| C13 | C7 | H7 | 119.8° | 119.9° |
| C13 | C12 | N3 | 134.0° | 133.7° |
| C13 | C12 | C11 | 119.1° | 120.1° |
| C12 | N3 | C16 | 107.9° | 107.3° |
| N3 | C12 | C11 | 106.9° | 106.1° |
| N3 | C16 | N6 | 122.2° | 125.0° |
| N3 | C16 | N1 | 108.0° | 109.9° |
| C7 | C9 | C17 | 119.6° | 119.9° |
| C7 | C9 | C6 | 120.0° | 120.2° |
| C9 | C7 | H7 | 119.9° | 119.9° |
| C3 | C1 | C2 | 119.7° | 120.0° |
| C1 | C3 | C5 | 120.2° | 120.0° |
| C3 | C1 | H1 | 120.2° | 120.0° |
| C1 | C3 | H3 | 119.9° | 120.0° |
| C1 | C2 | C4 | 120.2° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C12 | C11 | C6 | 121.4° | 119.7° |
| C12 | C11 | N1 | 108.4° | 107.1° |
| N2 | N4 | C14 | 111.6° | 109.6° |
| N4 | N2 | C15 | 104.9° | 110.9° |
| N4 | C14 | C18 | 124.8° | 126.9° |
| N4 | C14 | C8 | 106.6° | 106.2° |
| C3 | C5 | C10 | 120.7° | 120.0° |
| C3 | C5 | H5 | 119.7° | 120.0° |
| C5 | C3 | H3 | 119.9° | 120.0° |
| C24 | C27 | N7 | 111.6° | 109.4° |
| C27 | C24 | H20 | 107.4° | 109.5° |
| C27 | C24 | H21 | 107.4° | 109.5° |
| C24 | C27 | H27 | 108.9° | 109.5° |
| C24 | C27 | H26 | 109.0° | 109.5° |
| N2 | C15 | C8 | 111.2° | 107.9° |
| N2 | C15 | C20 | 120.4° | 126.1° |
| N6 | C16 | N1 | 129.7° | 125.1° |
| C16 | N6 | C18 | 119.9° | 120.0° |
| C16 | N6 | H30 | 120.1° | 120.0° |
| C16 | N1 | C11 | 108.7° | 109.6° |
| N6 | C18 | C14 | 116.0° | 120.0° |
| N6 | C18 | O2 | 126.0° | 120.0° |
| C18 | N6 | H30 | 120.1° | 120.0° |
| C17 | C9 | C6 | 120.4° | 119.9° |
| C9 | C17 | O1 | 119.4° | 120.0° |
| C9 | C17 | N5 | 117.8° | 120.0° |
| C9 | C6 | C11 | 119.0° | 119.7° |
| C9 | C6 | H6 | 120.5° | 120.1° |
| O1 | C17 | N5 | 122.8° | 120.0° |
| C2 | C4 | C10 | 120.7° | 120.0° |
| C2 | C4 | H4 | 119.6° | 120.0° |
| C4 | C2 | H2 | 119.9° | 120.0° |
| C6 | C11 | N1 | 130.1° | 133.2° |
| C11 | C6 | H6 | 120.5° | 120.2° |
| C17 | N5 | H29 | 120.0° | 120.0° |
| C17 | N5 | H28 | 120.0° | 120.0° |
| C5 | C10 | C4 | 118.5° | 120.0° |
| C5 | C10 | C23 | 121.4° | 120.0° |
| C10 | C5 | H5 | 119.6° | 120.0° |
| C18 | C14 | C8 | 128.6° | 126.9° |
| C14 | C18 | O2 | 118.1° | 120.0° |
| C14 | C8 | C15 | 105.7° | 105.4° |
| C14 | C8 | H8 | 127.1° | 127.3° |
| C4 | C10 | C23 | 120.1° | 120.0° |
| C10 | C4 | H4 | 119.7° | 120.0° |
| C8 | C15 | C20 | 128.5° | 126.1° |
| C15 | C8 | H8 | 127.2° | 127.3° |
| C15 | C20 | H11 | 109.5° | 109.5° |
| C15 | C20 | H10 | 109.5° | 109.5° |
| C15 | C20 | H9 | 109.5° | 109.5° |
| C10 | C23 | O5 | 110.8° | 109.5° |
| C10 | C23 | H19 | 109.2° | 109.5° |
| C10 | C23 | H18 | 109.2° | 109.4° |
| C27 | N7 | C19 | 122.1° | 120.0° |
| N7 | C27 | H27 | 108.9° | 109.4° |
| N7 | C27 | H26 | 108.9° | 109.5° |
| C27 | N7 | H31 | 118.9° | 120.0° |
| N7 | C19 | O5 | 110.3° | 120.0° |
| N7 | C19 | O3 | 125.0° | 120.0° |
| C19 | N7 | H31 | 119.0° | 120.0° |
| C19 | O5 | C23 | 116.7° | 116.9° |
| O5 | C19 | O3 | 124.7° | 120.1° |
| O5 | C23 | H19 | 109.1° | 109.5° |
| O5 | C23 | H18 | 109.1° | 109.5° |
| H11 | C20 | H10 | 109.5° | 109.5° |
| H11 | C20 | H9 | 109.5° | 109.5° |
| H10 | C20 | H9 | 109.5° | 109.4° |
| H13 | C21 | H12 | 109.4° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H12 | C21 | H14 | 109.4° | 109.5° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H17 | 109.5° | 109.4° |
| H16 | C22 | H17 | 109.4° | 109.5° |
| H19 | C23 | H18 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H23 | C25 | H22 | 109.5° | 109.5° |
| H25 | C26 | H24 | 109.5° | 109.4° |
| H27 | C27 | H26 | 109.5° | 109.5° |
| H29 | N5 | H28 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | O4 | C13 | C7 | 46.0° | 0.0° |
| C22 | O4 | C13 | C12 | 133.0° | 180.0° |
| O4 | C22 | H15 | H16 | 120.0° | 120.0° |
| O4 | C22 | H15 | H17 | 120.0° | 119.9° |
| O4 | C22 | H16 | H17 | 120.0° | 120.0° |
| O4 | C13 | C7 | C12 | 179.0° | 179.9° |
| O4 | C13 | C12 | N3 | 1.1° | 0.0° |
| O4 | C13 | C7 | C9 | 179.3° | 179.9° |
| O4 | C13 | C12 | C11 | 178.3° | 179.9° |
| O4 | C13 | C7 | H7 | 0.7° | 0.1° |
| C13 | O4 | C22 | H15 | 180.0° | 180.0° |
| C13 | O4 | C22 | H16 | 60.0° | 60.0° |
| C13 | O4 | C22 | H17 | 60.0° | 60.1° |
| C21 | C25 | N4 | H23 | 120.4° | 120.0° |
| C21 | C25 | N4 | H22 | 120.4° | 120.0° |
| C21 | C25 | N4 | N2 | 72.7° | 85.4° |
| C21 | C25 | N4 | C14 | 107.7° | 94.6° |
| C25 | C21 | H13 | H12 | 120.0° | 120.0° |
| C25 | C21 | H13 | H14 | 120.0° | 120.0° |
| C25 | C21 | H12 | H14 | 120.0° | 120.1° |
| C21 | C25 | H23 | H22 | 118.6° | 120.1° |
| C25 | N4 | N2 | C14 | 179.6° | 180.0° |
| C25 | N4 | N2 | C15 | 179.5° | 180.0° |
| C25 | N4 | C14 | C18 | 0.8° | 0.1° |
| C25 | N4 | C14 | C8 | 179.4° | 179.9° |
| N4 | C25 | C21 | H13 | 180.0° | 180.0° |
| N4 | C25 | C21 | H12 | 60.0° | 60.0° |
| N4 | C25 | C21 | H14 | 60.0° | 60.1° |
| N4 | C25 | H23 | H22 | 118.7° | 119.9° |
| N3 | C26 | C24 | H25 | 120.5° | 120.0° |
| N3 | C26 | C24 | H24 | 120.5° | 120.0° |
| C26 | N3 | C12 | C13 | 3.5° | 0.1° |
| C26 | N3 | C12 | C16 | 177.0° | 180.0° |
| C26 | N3 | C12 | C11 | 175.9° | 180.0° |
| N3 | C26 | C24 | C27 | 37.2° | 180.0° |
| C26 | N3 | C16 | N6 | 2.9° | 0.1° |
| C26 | N3 | C16 | N1 | 175.3° | 180.0° |
| N3 | C26 | C24 | H20 | 158.4° | 60.0° |
| N3 | C26 | C24 | H21 | 84.0° | 60.0° |
| N3 | C26 | H25 | H24 | 118.5° | 120.0° |
| C24 | C26 | N3 | C12 | 109.4° | 90.0° |
| C24 | C26 | N3 | C16 | 67.1° | 90.0° |
| C26 | C24 | C27 | H20 | 121.2° | 120.0° |
| C26 | C24 | C27 | H21 | 121.2° | 120.0° |
| C26 | C24 | C27 | N7 | 91.0° | 180.0° |
| C26 | C24 | H20 | H21 | 116.3° | 120.0° |
| C24 | C26 | H25 | H24 | 118.5° | 120.0° |
| C26 | C24 | C27 | H27 | 148.6° | 60.0° |
| C26 | C24 | C27 | H26 | 29.3° | 60.0° |
| C7 | C13 | C12 | N3 | 179.8° | 180.0° |
| C13 | C7 | C9 | H7 | 180.0° | 180.0° |
| C7 | C13 | C12 | C11 | 0.9° | 0.0° |
| C13 | C7 | C9 | C17 | 178.0° | 180.0° |
| C13 | C7 | C9 | C6 | 1.9° | 0.0° |
| C13 | C12 | N3 | C11 | 179.4° | 180.0° |
| C13 | C12 | N3 | C16 | 179.5° | 180.0° |
| C12 | C13 | C7 | C9 | 1.6° | 0.0° |
| C13 | C12 | C11 | C6 | 3.1° | 0.0° |
| C13 | C12 | C11 | N1 | 179.5° | 180.0° |
| C12 | C13 | C7 | H7 | 178.4° | 180.0° |
| C12 | N3 | C16 | N6 | 180.0° | 179.9° |
| C12 | N3 | C16 | N1 | 1.8° | 0.0° |
| N3 | C12 | C11 | C6 | 177.4° | 180.0° |
| N3 | C12 | C11 | N1 | 0.0° | 0.0° |
| C12 | N3 | C26 | H25 | 11.1° | 150.0° |
| C12 | N3 | C26 | H24 | 130.1° | 30.0° |
| C16 | N3 | C12 | C11 | 1.1° | 0.0° |
| N3 | C16 | N6 | N1 | 177.8° | 179.9° |
| N3 | C16 | N6 | C18 | 177.3° | 180.0° |
| N3 | C16 | N1 | C11 | 1.7° | 0.0° |
| C16 | N3 | C26 | H25 | 172.4° | 30.0° |
| C16 | N3 | C26 | H24 | 53.4° | 149.9° |
| N3 | C16 | N6 | H30 | 2.7° | 0.0° |
| C7 | C9 | C17 | C6 | 180.0° | 180.0° |
| C7 | C9 | C17 | O1 | 135.5° | 179.9° |
| C7 | C9 | C6 | C11 | 0.3° | 0.0° |
| C7 | C9 | C17 | N5 | 43.8° | 0.0° |
| C7 | C9 | C6 | H6 | 179.7° | 180.0° |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C3 | C5 | H3 | 180.0° | 180.0° |
| C3 | C1 | C2 | C4 | 0.3° | 0.0° |
| C1 | C3 | C5 | C10 | 0.3° | 0.0° |
| C1 | C3 | C5 | H5 | 179.7° | 180.0° |
| C3 | C1 | C2 | H2 | 179.7° | 180.0° |
| C2 | C1 | C3 | C5 | 0.2° | 0.0° |
| C1 | C2 | C4 | H2 | 180.0° | 180.0° |
| C1 | C2 | C4 | C10 | 0.1° | NaN° |
| C1 | C2 | C4 | H4 | 179.9° | 180.0° |
| C2 | C1 | C3 | H3 | 179.8° | 180.0° |
| C12 | C11 | N1 | C16 | 1.1° | 0.0° |
| C12 | C11 | C6 | C9 | 2.8° | 0.0° |
| C12 | C11 | C6 | N1 | 176.7° | 180.0° |
| C12 | C11 | C6 | H6 | 177.2° | 180.0° |
| N2 | N4 | C14 | C18 | 178.8° | 179.9° |
| N2 | N4 | C14 | C8 | 0.2° | 0.2° |
| N4 | N2 | C15 | C8 | 0.1° | 0.1° |
| N4 | N2 | C15 | C20 | 179.9° | 179.9° |
| N2 | N4 | C25 | H23 | 47.7° | 154.6° |
| N2 | N4 | C25 | H22 | 166.8° | 34.6° |
| C14 | N4 | N2 | C15 | 0.2° | 0.0° |
| N4 | C14 | C18 | N6 | 20.7° | 174.7° |
| N4 | C14 | C18 | C8 | 178.3° | 179.9° |
| N4 | C14 | C18 | O2 | 158.1° | 5.3° |
| N4 | C14 | C8 | C15 | 0.1° | 0.2° |
| N4 | C14 | C8 | H8 | 179.9° | 180.0° |
| C14 | N4 | C25 | H23 | 131.9° | 25.4° |
| C14 | N4 | C25 | H22 | 12.7° | 145.4° |
| C3 | C5 | C10 | H5 | 180.0° | 180.0° |
| C3 | C5 | C10 | C4 | 0.8° | 0.0° |
| C3 | C5 | C10 | C23 | 179.2° | 180.0° |
| C5 | C3 | C1 | H1 | 179.8° | 179.7° |
| C24 | C27 | N7 | H27 | 120.3° | 120.0° |
| C24 | C27 | N7 | H26 | 120.3° | 120.0° |
| C24 | C27 | N7 | C19 | 90.2° | 180.0° |
| C27 | C24 | H20 | H21 | 116.3° | 120.0° |
| C27 | C24 | C26 | H25 | 83.2° | 60.0° |
| C27 | C24 | C26 | H24 | 157.8° | 60.0° |
| C24 | C27 | H27 | H26 | 119.0° | 120.0° |
| C24 | C27 | N7 | H31 | 89.8° | 0.0° |
| N2 | C15 | C8 | C14 | 0.0° | 0.2° |
| N2 | C15 | C8 | C20 | 179.8° | 179.9° |
| N2 | C15 | C8 | H8 | 180.0° | 180.0° |
| N2 | C15 | C20 | H11 | 0.0° | 90.0° |
| N2 | C15 | C20 | H10 | 120.0° | 150.0° |
| N2 | C15 | C20 | H9 | 120.0° | 30.1° |
| C16 | N6 | C18 | H30 | 180.0° | 180.0° |
| N6 | C16 | N1 | C11 | 179.8° | 179.9° |
| C16 | N6 | C18 | C14 | 179.5° | 174.8° |
| C16 | N6 | C18 | O2 | 1.9° | 5.2° |
| N1 | C16 | N6 | C18 | 0.5° | 0.1° |
| C16 | N1 | C11 | C6 | 176.0° | 180.0° |
| N1 | C16 | N6 | H30 | 179.5° | 180.0° |
| N6 | C18 | C14 | O2 | 178.8° | 179.9° |
| N6 | C18 | C14 | C8 | 161.1° | 5.4° |
| C9 | C17 | O1 | N5 | 179.3° | 179.9° |
| C17 | C9 | C6 | C11 | 179.8° | 180.0° |
| C17 | C9 | C7 | H7 | 1.9° | 0.0° |
| C17 | C9 | C6 | H6 | 0.3° | 0.0° |
| C9 | C17 | N5 | H29 | 179.3° | 0.0° |
| C9 | C17 | N5 | H28 | 0.7° | 180.0° |
| C6 | C9 | C17 | O1 | 44.5° | 0.0° |
| C9 | C6 | C11 | H6 | 180.0° | 180.0° |
| C9 | C6 | C11 | N1 | 179.5° | 180.0° |
| C6 | C9 | C17 | N5 | 136.2° | 180.0° |
| C6 | C9 | C7 | H7 | 178.1° | 180.0° |
| O1 | C17 | N5 | H29 | 0.0° | 180.0° |
| O1 | C17 | N5 | H28 | 180.0° | 0.1° |
| C2 | C4 | C10 | C5 | 0.7° | NaN° |
| C2 | C4 | C10 | H4 | 180.0° | 180.0° |
| C2 | C4 | C10 | C23 | 179.3° | 180.0° |
| C4 | C2 | C1 | H1 | 179.7° | 179.7° |
| N1 | C11 | C6 | H6 | 0.4° | 0.0° |
| C17 | N5 | H29 | H28 | 180.0° | 180.0° |
| C5 | C10 | C4 | C23 | 179.9° | 180.0° |
| C5 | C10 | C23 | O5 | 29.3° | 90.0° |
| C5 | C10 | C4 | H4 | 179.3° | 180.0° |
| C10 | C5 | C3 | H3 | 179.7° | 180.0° |
| C5 | C10 | C23 | H19 | 90.9° | 30.1° |
| C5 | C10 | C23 | H18 | 149.5° | 150.0° |
| C18 | C14 | C8 | C15 | 178.6° | 179.8° |
| C18 | C14 | C8 | H8 | 1.4° | 0.1° |
| C14 | C18 | N6 | H30 | 0.6° | 5.2° |
| C8 | C14 | C18 | O2 | 20.2° | 174.7° |
| C14 | C8 | C15 | H8 | 180.0° | 179.8° |
| C14 | C8 | C15 | C20 | 179.8° | 179.8° |
| O2 | C18 | N6 | H30 | 178.1° | 174.7° |
| C4 | C10 | C23 | O5 | 150.6° | 90.0° |
| C4 | C10 | C5 | H5 | 179.2° | 180.0° |
| C10 | C4 | C2 | H2 | 179.9° | 180.0° |
| C4 | C10 | C23 | H19 | 89.2° | 149.9° |
| C4 | C10 | C23 | H18 | 30.4° | 30.0° |
| C8 | C15 | C20 | H11 | 179.8° | 90.1° |
| C8 | C15 | C20 | H10 | 60.2° | 29.9° |
| C8 | C15 | C20 | H9 | 59.8° | 149.9° |
| C20 | C15 | C8 | H8 | 0.2° | 0.1° |
| C15 | C20 | H11 | H10 | 120.0° | 120.0° |
| C15 | C20 | H11 | H9 | 120.0° | 120.0° |
| C15 | C20 | H10 | H9 | 120.0° | 120.0° |
| C10 | C23 | O5 | C19 | 144.5° | 180.0° |
| C10 | C23 | O5 | H19 | 120.2° | 120.0° |
| C10 | C23 | O5 | H18 | 120.2° | 119.9° |
| C23 | C10 | C5 | H5 | 0.8° | 0.0° |
| C23 | C10 | C4 | H4 | 0.7° | 0.0° |
| C10 | C23 | H19 | H18 | 119.4° | 119.9° |
| C27 | N7 | C19 | H31 | 180.0° | 180.0° |
| C27 | N7 | C19 | O5 | 178.5° | 180.0° |
| C27 | N7 | C19 | O3 | 2.0° | 0.0° |
| N7 | C27 | C24 | H20 | 30.1° | 60.0° |
| N7 | C27 | C24 | H21 | 147.8° | 60.0° |
| N7 | C27 | H27 | H26 | 119.0° | 120.0° |
| N7 | C19 | O5 | O3 | 179.5° | 180.0° |
| N7 | C19 | O5 | C23 | 178.9° | 180.0° |
| C19 | N7 | C27 | H27 | 30.1° | 60.0° |
| C19 | N7 | C27 | H26 | 149.4° | 60.0° |
| C19 | O5 | C23 | H19 | 95.3° | 60.0° |
| C19 | O5 | C23 | H18 | 24.3° | 60.0° |
| O5 | C19 | N7 | H31 | 1.5° | 0.0° |
| C23 | O5 | C19 | O3 | 0.7° | 0.0° |
| O5 | C23 | H19 | H18 | 119.4° | 120.0° |
| O3 | C19 | N7 | H31 | 178.0° | 180.0° |
| H1 | C1 | C3 | H3 | 0.2° | 0.3° |
| H1 | C1 | C2 | H2 | 0.3° | 0.3° |
| H5 | C5 | C3 | H3 | 0.3° | 0.0° |
| H4 | C4 | C2 | H2 | 0.1° | 0.0° |
| H11 | C20 | H10 | H9 | 120.0° | 120.0° |
| H13 | C21 | H12 | H14 | 120.0° | 119.9° |
| H13 | C21 | C25 | H23 | 59.6° | 60.0° |
| H13 | C21 | C25 | H22 | 59.6° | 60.1° |
| H12 | C21 | C25 | H23 | 60.4° | NaN° |
| H12 | C21 | C25 | H22 | 179.6° | 59.9° |
| H14 | C21 | C25 | H23 | 179.6° | 59.9° |
| H14 | C21 | C25 | H22 | 60.5° | 180.0° |
| H15 | C22 | H16 | H17 | 120.0° | 120.0° |
| H20 | C24 | C26 | H25 | 37.9° | 179.9° |
| H20 | C24 | C26 | H24 | 81.1° | 60.0° |
| H20 | C24 | C27 | H27 | 90.2° | 180.0° |
| H20 | C24 | C27 | H26 | 150.5° | 60.0° |
| H21 | C24 | C26 | H25 | 155.6° | 60.0° |
| H21 | C24 | C26 | H24 | 36.6° | 180.0° |
| H21 | C24 | C27 | H27 | 27.5° | 59.9° |
| H21 | C24 | C27 | H26 | 91.9° | 180.0° |
| H27 | C27 | N7 | H31 | 149.9° | 120.0° |
| H26 | C27 | N7 | H31 | 30.6° | 120.0° |
