A1I57
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C22 | doub | 1.29Å | 1.30Å | Aromatic |
| N4 | C21 | sing | 1.31Å | 1.49Å | Aromatic |
| C23 | C21 | sing | 1.51Å | 1.59Å | |
| C22 | S1 | sing | 1.71Å | 1.77Å | Aromatic |
| C21 | C20 | doub | 1.35Å | 1.36Å | Aromatic |
| C20 | S1 | sing | 1.76Å | 1.80Å | Aromatic |
| C20 | C17 | sing | 1.48Å | 1.57Å | |
| C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | C13 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.62Å | |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| C12 | N3 | sing | 1.46Å | 1.51Å | |
| N3 | C11 | sing | 1.35Å | 1.41Å | |
| C8 | C7 | sing | 1.54Å | 1.58Å | |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C11 | O4 | doub | 1.21Å | 1.24Å | |
| C11 | C7 | sing | 1.51Å | 1.59Å | |
| C7 | N2 | sing | 1.47Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.40Å | |
| C9 | C10 | sing | 1.55Å | 1.60Å | |
| N2 | C10 | sing | 1.47Å | 1.52Å | |
| N2 | C6 | sing | 1.35Å | 1.45Å | |
| O2 | C6 | doub | 1.21Å | 1.24Å | |
| C6 | C1 | sing | 1.51Å | 1.64Å | |
| C26 | C24 | sing | 1.53Å | 1.57Å | |
| C1 | C24 | sing | 1.53Å | 1.63Å | |
| C1 | N1 | sing | 1.46Å | 1.52Å | |
| C27 | C24 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| O1 | C2 | doub | 1.21Å | 1.24Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| C2 | C3 | sing | 1.51Å | 1.60Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| C5 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | F1 | sing | 1.40Å | 1.36Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| O3 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N4 | C21 | 114.0° | 117.3° |
| N4 | C22 | S1 | 110.8° | 110.4° |
| N4 | C22 | H13 | 124.6° | 124.8° |
| N4 | C21 | C23 | 124.9° | 122.9° |
| N4 | C21 | C20 | 115.0° | 114.2° |
| C23 | C21 | C20 | 120.1° | 122.9° |
| C21 | C23 | H25 | 109.5° | 109.5° |
| C21 | C23 | H26 | 109.5° | 109.5° |
| C21 | C23 | H27 | 109.5° | 109.5° |
| C22 | S1 | C20 | 93.3° | 90.3° |
| S1 | C22 | H13 | 124.6° | 124.8° |
| C21 | C20 | S1 | 106.9° | 107.8° |
| C21 | C20 | C17 | 141.1° | 126.1° |
| S1 | C20 | C17 | 111.9° | 126.1° |
| C20 | C17 | C18 | 122.3° | 120.2° |
| C20 | C17 | C16 | 123.7° | 120.1° |
| C18 | C17 | C16 | 113.9° | 119.7° |
| C17 | C18 | C19 | 123.5° | 119.9° |
| C17 | C18 | H23 | 118.3° | 120.1° |
| C17 | C16 | C15 | 123.0° | 119.8° |
| C17 | C16 | H22 | 118.5° | 120.1° |
| C18 | C19 | C13 | 121.5° | 120.1° |
| C19 | C18 | H23 | 118.3° | 120.0° |
| C18 | C19 | H24 | 119.3° | 120.0° |
| C16 | C15 | C13 | 122.5° | 120.2° |
| C16 | C15 | H12 | 118.8° | 119.9° |
| C15 | C16 | H22 | 118.5° | 120.1° |
| C19 | C13 | C15 | 115.6° | 120.3° |
| C19 | C13 | C12 | 123.8° | 119.8° |
| C13 | C19 | H24 | 119.3° | 119.9° |
| C15 | C13 | C12 | 120.6° | 119.9° |
| C13 | C15 | H12 | 118.7° | 119.9° |
| C13 | C12 | C14 | 109.7° | 109.5° |
| C13 | C12 | N3 | 111.3° | 109.5° |
| C13 | C12 | H18 | 107.6° | 109.4° |
| C14 | C12 | N3 | 111.1° | 109.5° |
| C14 | C12 | H18 | 108.2° | 109.5° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C12 | C14 | H20 | 109.4° | 109.4° |
| C12 | C14 | H21 | 109.4° | 109.5° |
| C12 | N3 | C11 | 125.1° | 120.0° |
| C12 | N3 | H2 | 117.4° | 120.0° |
| N3 | C12 | H18 | 108.9° | 109.5° |
| N3 | C11 | O4 | 120.5° | 120.0° |
| N3 | C11 | C7 | 126.4° | 120.0° |
| C11 | N3 | H2 | 117.4° | 120.0° |
| C7 | C8 | C9 | 107.2° | 103.0° |
| C8 | C7 | C11 | 106.5° | 110.0° |
| C8 | C7 | N2 | 107.9° | 107.3° |
| C8 | C7 | H7 | 108.7° | 109.9° |
| C7 | C8 | H8 | 110.0° | 110.7° |
| C7 | C8 | H9 | 110.0° | 110.7° |
| C8 | C9 | O3 | 109.6° | 111.0° |
| C8 | C9 | C10 | 101.7° | 101.5° |
| C9 | C8 | H8 | 110.0° | 110.8° |
| C9 | C8 | H9 | 110.0° | 110.7° |
| C8 | C9 | H34 | 110.8° | 111.0° |
| O4 | C11 | C7 | 113.1° | 120.0° |
| C11 | C7 | N2 | 115.2° | 109.9° |
| C11 | C7 | H7 | 108.6° | 109.9° |
| C7 | N2 | C10 | 106.9° | 108.7° |
| C7 | N2 | C6 | 126.0° | 125.6° |
| N2 | C7 | H7 | 109.6° | 109.9° |
| O3 | C9 | C10 | 111.1° | 111.0° |
| O3 | C9 | H34 | 113.0° | 110.9° |
| C9 | O3 | H35 | 109.5° | 114.0° |
| C9 | C10 | N2 | 108.4° | 104.8° |
| C9 | C10 | H10 | 109.8° | 110.4° |
| C9 | C10 | H11 | 109.8° | 110.3° |
| C10 | C9 | H34 | 110.0° | 111.0° |
| C10 | N2 | C6 | 127.0° | 125.7° |
| N2 | C10 | H10 | 109.8° | 110.4° |
| N2 | C10 | H11 | 109.7° | 110.5° |
| N2 | C6 | O2 | 118.1° | 120.0° |
| N2 | C6 | C1 | 128.4° | 120.0° |
| O2 | C6 | C1 | 113.5° | 120.0° |
| C6 | C1 | C24 | 112.0° | 109.5° |
| C6 | C1 | N1 | 110.3° | 109.5° |
| C6 | C1 | H17 | 107.4° | 109.4° |
| C26 | C24 | C1 | 109.0° | 109.5° |
| C26 | C24 | C27 | 108.6° | 109.5° |
| C26 | C24 | C25 | 109.9° | 109.4° |
| C24 | C26 | H14 | 109.5° | 109.5° |
| C24 | C26 | H15 | 109.4° | 109.4° |
| C24 | C26 | H16 | 109.5° | 109.4° |
| C24 | C1 | N1 | 110.6° | 109.5° |
| C1 | C24 | C27 | 109.6° | 109.5° |
| C1 | C24 | C25 | 109.4° | 109.5° |
| C24 | C1 | H17 | 107.5° | 109.5° |
| C1 | N1 | C2 | 127.9° | 120.0° |
| C1 | N1 | H1 | 116.1° | 120.1° |
| N1 | C1 | H17 | 108.9° | 109.5° |
| C27 | C24 | C25 | 110.3° | 109.5° |
| C24 | C27 | H31 | 109.5° | 109.5° |
| C24 | C27 | H32 | 109.5° | 109.5° |
| C24 | C27 | H33 | 109.5° | 109.5° |
| C24 | C25 | H28 | 109.5° | 109.5° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.5° |
| O1 | C2 | N1 | 120.7° | 120.0° |
| O1 | C2 | C3 | 112.5° | 120.0° |
| N1 | C2 | C3 | 126.9° | 120.0° |
| C2 | N1 | H1 | 116.0° | 119.9° |
| C2 | C3 | C5 | 123.0° | 117.5° |
| C2 | C3 | C4 | 121.5° | 117.5° |
| C2 | C3 | F1 | 113.4° | 115.5° |
| C4 | C5 | C3 | 61.1° | 60.0° |
| C5 | C4 | C3 | 60.2° | 60.0° |
| C5 | C4 | H3 | 120.0° | 117.5° |
| C5 | C4 | H4 | 120.0° | 117.5° |
| C4 | C5 | H5 | 119.8° | 117.5° |
| C4 | C5 | H6 | 119.8° | 117.5° |
| C5 | C3 | C4 | 58.7° | 60.0° |
| C5 | C3 | F1 | 115.0° | 117.5° |
| C3 | C5 | H5 | 119.8° | 117.5° |
| C3 | C5 | H6 | 119.9° | 117.5° |
| C4 | C3 | F1 | 114.7° | 117.5° |
| C3 | C4 | H3 | 119.9° | 117.5° |
| C3 | C4 | H4 | 120.0° | 117.5° |
| H3 | C4 | H4 | 109.5° | 115.6° |
| H5 | C5 | H6 | 109.4° | 115.6° |
| H8 | C8 | H9 | 109.5° | 110.8° |
| H10 | C10 | H11 | 109.4° | 110.3° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H14 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | C25 | H29 | 109.5° | 109.4° |
| H28 | C25 | H30 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.4° | 109.5° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H31 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N4 | C21 | C23 | 180.0° | 179.9° |
| N4 | C22 | S1 | H13 | 180.0° | 179.9° |
| C22 | N4 | C21 | C20 | 0.1° | 0.1° |
| N4 | C22 | S1 | C20 | 0.1° | 0.0° |
| N4 | C21 | C23 | C20 | 179.9° | 180.0° |
| C21 | N4 | C22 | S1 | 0.0° | 0.1° |
| N4 | C21 | C20 | S1 | 0.2° | 0.1° |
| N4 | C21 | C20 | C17 | 179.6° | 179.7° |
| C21 | N4 | C22 | H13 | 180.0° | 179.9° |
| N4 | C21 | C23 | H25 | 0.0° | 95.2° |
| N4 | C21 | C23 | H26 | 120.0° | 24.8° |
| N4 | C21 | C23 | H27 | 120.0° | 144.7° |
| C23 | C21 | C20 | S1 | 179.9° | 180.0° |
| C23 | C21 | C20 | C17 | 0.5° | 0.3° |
| C21 | C23 | H25 | H26 | 120.0° | 120.0° |
| C21 | C23 | H25 | H27 | 120.0° | 120.0° |
| C21 | C23 | H26 | H27 | 120.0° | 120.0° |
| C22 | S1 | C20 | C21 | 0.2° | 0.0° |
| C22 | S1 | C20 | C17 | 179.8° | 179.7° |
| C21 | C20 | S1 | C17 | 179.6° | 179.6° |
| C21 | C20 | C17 | C18 | 43.5° | 47.8° |
| C21 | C20 | C17 | C16 | 135.9° | 132.4° |
| C20 | C21 | C23 | H25 | 179.9° | 84.8° |
| C20 | C21 | C23 | H26 | 59.9° | 155.2° |
| C20 | C21 | C23 | H27 | 60.1° | 35.2° |
| S1 | C20 | C17 | C18 | 137.0° | 131.8° |
| S1 | C20 | C17 | C16 | 43.5° | 48.0° |
| C20 | S1 | C22 | H13 | 179.9° | 179.9° |
| C20 | C17 | C18 | C16 | 179.5° | 179.8° |
| C20 | C17 | C18 | C19 | 179.7° | 180.0° |
| C20 | C17 | C16 | C15 | 179.7° | 180.0° |
| C20 | C17 | C16 | H22 | 0.3° | 0.1° |
| C20 | C17 | C18 | H23 | 0.3° | 0.3° |
| C17 | C18 | C19 | H23 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 0.2° | 0.3° |
| C17 | C18 | C19 | C13 | 0.2° | 0.0° |
| C18 | C17 | C16 | H22 | 179.8° | 179.7° |
| C17 | C18 | C19 | H24 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.2° |
| C17 | C16 | C15 | H22 | 180.0° | 180.0° |
| C17 | C16 | C15 | C13 | 0.2° | 0.0° |
| C17 | C16 | C15 | H12 | 179.8° | 180.0° |
| C16 | C17 | C18 | H23 | 179.7° | 180.0° |
| C18 | C19 | C13 | H24 | 180.0° | 180.0° |
| C18 | C19 | C13 | C15 | 0.2° | 0.2° |
| C18 | C19 | C13 | C12 | 180.0° | 180.0° |
| C16 | C15 | C13 | C19 | 0.1° | 0.2° |
| C16 | C15 | C13 | H12 | 180.0° | 179.9° |
| C16 | C15 | C13 | C12 | 180.0° | 180.0° |
| C19 | C13 | C15 | C12 | 179.8° | 179.8° |
| C19 | C13 | C12 | C14 | 76.5° | 80.3° |
| C19 | C13 | C12 | N3 | 160.2° | 39.8° |
| C19 | C13 | C15 | H12 | 179.8° | 179.7° |
| C19 | C13 | C12 | H18 | 41.0° | 159.7° |
| C13 | C19 | C18 | H23 | 179.7° | 179.7° |
| C15 | C13 | C12 | C14 | 103.7° | 100.0° |
| C15 | C13 | C12 | N3 | 19.6° | 140.0° |
| C15 | C13 | C12 | H18 | 138.7° | 20.1° |
| C13 | C15 | C16 | H22 | 179.8° | 179.9° |
| C15 | C13 | C19 | H24 | 179.8° | 179.8° |
| C13 | C12 | C14 | N3 | 123.4° | 120.0° |
| C13 | C12 | C14 | H18 | 117.1° | 119.9° |
| C13 | C12 | N3 | H18 | 118.4° | 119.9° |
| C13 | C12 | N3 | C11 | 75.5° | 155.0° |
| C13 | C12 | N3 | H2 | 104.5° | 25.1° |
| C12 | C13 | C15 | H12 | 0.0° | 0.0° |
| C13 | C12 | C14 | H19 | 180.0° | 60.0° |
| C13 | C12 | C14 | H20 | 60.0° | 180.0° |
| C13 | C12 | C14 | H21 | 60.0° | 60.0° |
| C12 | C13 | C19 | H24 | 0.0° | 0.1° |
| C14 | C12 | N3 | H18 | 119.1° | 120.1° |
| C14 | C12 | N3 | C11 | 162.0° | 85.0° |
| C14 | C12 | N3 | H2 | 18.0° | 94.9° |
| C12 | C14 | H19 | H20 | 120.0° | 120.0° |
| C12 | C14 | H19 | H21 | 120.0° | 120.0° |
| C12 | C14 | H20 | H21 | 120.0° | 120.0° |
| C12 | N3 | C11 | H2 | 180.0° | 179.9° |
| C12 | N3 | C11 | O4 | 1.2° | 0.1° |
| C12 | N3 | C11 | C7 | 179.0° | 180.0° |
| N3 | C12 | C14 | H19 | 56.6° | 180.0° |
| N3 | C12 | C14 | H20 | 63.4° | 60.0° |
| N3 | C12 | C14 | H21 | 176.6° | 60.0° |
| N3 | C11 | C7 | C8 | 107.0° | 62.1° |
| N3 | C11 | O4 | C7 | 179.8° | 180.0° |
| N3 | C11 | C7 | N2 | 133.4° | 180.0° |
| N3 | C11 | C7 | H7 | 9.9° | 59.0° |
| C11 | N3 | C12 | H18 | 42.9° | 35.1° |
| C7 | C8 | C9 | H8 | 119.6° | 118.4° |
| C7 | C8 | C9 | H9 | 119.7° | 118.3° |
| C8 | C7 | C11 | O4 | 73.2° | 117.9° |
| C8 | C7 | C11 | N2 | 119.6° | 117.9° |
| C8 | C7 | C11 | H7 | 117.0° | 121.1° |
| C8 | C7 | N2 | H7 | 118.2° | 119.4° |
| C7 | C8 | C9 | O3 | 91.8° | 82.6° |
| C7 | C8 | C9 | C10 | 25.8° | 35.5° |
| C8 | C7 | N2 | C10 | 1.6° | 1.1° |
| C8 | C7 | N2 | C6 | 178.4° | 178.9° |
| C7 | C8 | H8 | H9 | 121.0° | 123.2° |
| C7 | C8 | C9 | H34 | 142.8° | 153.6° |
| C9 | C8 | C7 | C11 | 140.5° | 141.7° |
| C9 | C8 | C7 | N2 | 16.2° | 22.2° |
| C8 | C9 | O3 | C10 | 111.6° | 112.2° |
| C8 | C9 | O3 | H34 | 124.1° | 123.9° |
| C8 | C9 | C10 | H34 | 117.5° | 118.1° |
| C8 | C9 | C10 | N2 | 27.5° | 37.0° |
| C9 | C8 | C7 | H7 | 102.6° | 97.2° |
| C9 | C8 | H8 | H9 | 121.0° | 123.3° |
| C8 | C9 | C10 | H10 | 92.3° | 81.9° |
| C8 | C9 | C10 | H11 | 147.4° | 156.0° |
| C8 | C9 | O3 | H35 | 180.0° | 180.0° |
| O4 | C11 | C7 | N2 | 46.4° | 0.0° |
| O4 | C11 | N3 | H2 | 178.9° | 180.0° |
| O4 | C11 | C7 | H7 | 169.9° | 121.0° |
| C11 | C7 | N2 | H7 | 122.9° | 121.1° |
| C11 | C7 | N2 | C10 | 117.2° | 118.5° |
| C11 | C7 | N2 | C6 | 62.7° | 61.6° |
| C7 | C11 | N3 | H2 | 0.9° | 0.0° |
| C11 | C7 | C8 | H8 | 20.8° | 23.3° |
| C11 | C7 | C8 | H9 | 99.9° | 100.0° |
| C7 | N2 | C10 | C9 | 18.4° | 24.2° |
| C7 | N2 | C10 | C6 | 179.9° | 179.9° |
| C7 | N2 | C6 | O2 | 0.2° | 4.6° |
| C7 | N2 | C6 | C1 | 179.8° | 175.4° |
| N2 | C7 | C8 | H8 | 103.4° | 96.2° |
| N2 | C7 | C8 | H9 | 135.9° | 140.6° |
| C7 | N2 | C10 | H10 | 101.5° | 94.7° |
| C7 | N2 | C10 | H11 | 138.2° | 143.0° |
| O3 | C9 | C10 | H34 | 126.0° | 123.8° |
| O3 | C9 | C10 | N2 | 89.0° | 81.0° |
| O3 | C9 | C8 | H8 | 148.5° | 159.1° |
| O3 | C9 | C8 | H9 | 27.8° | 35.7° |
| O3 | C9 | C10 | H10 | 151.1° | 160.1° |
| O3 | C9 | C10 | H11 | 30.8° | 37.9° |
| C9 | C10 | N2 | H10 | 119.8° | 118.9° |
| C9 | C10 | N2 | H11 | 119.8° | 118.8° |
| C9 | C10 | N2 | C6 | 161.7° | 155.8° |
| C10 | C9 | C8 | H8 | 93.8° | 82.8° |
| C10 | C9 | C8 | H9 | 145.5° | 153.8° |
| C9 | C10 | H10 | H11 | 120.5° | 122.2° |
| C10 | C9 | O3 | H35 | 68.4° | 67.8° |
| C10 | N2 | C6 | O2 | 179.9° | 175.5° |
| C10 | N2 | C6 | C1 | 0.1° | 4.5° |
| C10 | N2 | C7 | H7 | 119.9° | 120.4° |
| N2 | C10 | H10 | H11 | 120.5° | 122.3° |
| N2 | C10 | C9 | H34 | 145.0° | 155.1° |
| N2 | C6 | O2 | C1 | 180.0° | 179.9° |
| N2 | C6 | C1 | C24 | 95.4° | 95.3° |
| N2 | C6 | C1 | N1 | 141.0° | 144.7° |
| C6 | N2 | C7 | H7 | 60.2° | 59.5° |
| C6 | N2 | C10 | H10 | 78.4° | 85.3° |
| C6 | N2 | C10 | H11 | 41.9° | 36.9° |
| N2 | C6 | C1 | H17 | 22.4° | 24.7° |
| O2 | C6 | C1 | C24 | 84.6° | 84.6° |
| O2 | C6 | C1 | N1 | 39.1° | 35.4° |
| O2 | C6 | C1 | H17 | 157.6° | 155.4° |
| C6 | C1 | C24 | C26 | 50.3° | 175.2° |
| C6 | C1 | C24 | N1 | 123.5° | 120.0° |
| C6 | C1 | C24 | H17 | 117.8° | 119.9° |
| C6 | C1 | N1 | H17 | 117.7° | 119.9° |
| C6 | C1 | C24 | C27 | 68.4° | 64.8° |
| C6 | C1 | C24 | C25 | 170.5° | 55.2° |
| C6 | C1 | N1 | C2 | 72.6° | 154.9° |
| C6 | C1 | N1 | H1 | 107.4° | 24.7° |
| C26 | C24 | C1 | C27 | 118.7° | 120.0° |
| C26 | C24 | C1 | C25 | 120.2° | 120.0° |
| C26 | C24 | C1 | N1 | 173.9° | 64.8° |
| C26 | C24 | C27 | C25 | 120.5° | 120.0° |
| C24 | C26 | H14 | H15 | 120.0° | 119.9° |
| C24 | C26 | H14 | H16 | 120.0° | 120.0° |
| C24 | C26 | H15 | H16 | 120.0° | 119.9° |
| C26 | C24 | C1 | H17 | 67.5° | 55.2° |
| C26 | C24 | C25 | H28 | 180.0° | 64.4° |
| C26 | C24 | C25 | H29 | 60.0° | 175.7° |
| C26 | C24 | C25 | H30 | 60.0° | 55.7° |
| C26 | C24 | C27 | H31 | 180.0° | 60.0° |
| C26 | C24 | C27 | H32 | 60.0° | 60.0° |
| C26 | C24 | C27 | H33 | 60.0° | 180.0° |
| C24 | C1 | N1 | H17 | 117.8° | 120.0° |
| C1 | C24 | C27 | C25 | 120.5° | 120.0° |
| C24 | C1 | N1 | C2 | 162.9° | 85.0° |
| C24 | C1 | N1 | H1 | 17.1° | 95.3° |
| C1 | C24 | C26 | H14 | 180.0° | 60.0° |
| C1 | C24 | C26 | H15 | 60.0° | 60.0° |
| C1 | C24 | C26 | H16 | 60.0° | 180.0° |
| C1 | C24 | C25 | H28 | 60.4° | 175.6° |
| C1 | C24 | C25 | H29 | 179.6° | 55.7° |
| C1 | C24 | C25 | H30 | 59.7° | 64.3° |
| C1 | C24 | C27 | H31 | 61.0° | 180.0° |
| C1 | C24 | C27 | H32 | 59.0° | 60.0° |
| C1 | C24 | C27 | H33 | 179.0° | 60.0° |
| N1 | C1 | C24 | C27 | 55.1° | 55.2° |
| N1 | C1 | C24 | C25 | 66.0° | 175.2° |
| C1 | N1 | C2 | O1 | 0.3° | 0.3° |
| C1 | N1 | C2 | H1 | 180.0° | 179.6° |
| C1 | N1 | C2 | C3 | 179.9° | 179.8° |
| C27 | C24 | C26 | H14 | 60.6° | 180.0° |
| C27 | C24 | C26 | H15 | 59.4° | 60.0° |
| C27 | C24 | C26 | H16 | 179.4° | 60.0° |
| C27 | C24 | C1 | H17 | 173.8° | 175.3° |
| C27 | C24 | C25 | H28 | 60.3° | 55.6° |
| C27 | C24 | C25 | H29 | 59.7° | 64.3° |
| C27 | C24 | C25 | H30 | 179.7° | 175.7° |
| C24 | C27 | H31 | H32 | 120.0° | 120.0° |
| C24 | C27 | H31 | H33 | 120.0° | 120.0° |
| C24 | C27 | H32 | H33 | 120.0° | 120.0° |
| C25 | C24 | C26 | H14 | 60.1° | 60.0° |
| C25 | C24 | C26 | H15 | 179.9° | 180.0° |
| C25 | C24 | C26 | H16 | 59.9° | 60.0° |
| C25 | C24 | C1 | H17 | 52.7° | 64.7° |
| C24 | C25 | H28 | H29 | 120.0° | 120.0° |
| C24 | C25 | H28 | H30 | 120.0° | 120.0° |
| C24 | C25 | H29 | H30 | 120.0° | 120.0° |
| C25 | C24 | C27 | H31 | 59.5° | 60.0° |
| C25 | C24 | C27 | H32 | 179.5° | 180.0° |
| C25 | C24 | C27 | H33 | 60.5° | 60.0° |
| O1 | C2 | N1 | C3 | 179.8° | 180.0° |
| O1 | C2 | C3 | C5 | 66.6° | 58.6° |
| O1 | C2 | C3 | C4 | 137.4° | 10.0° |
| O1 | C2 | C3 | F1 | 79.5° | 155.7° |
| O1 | C2 | N1 | H1 | 179.7° | 179.9° |
| N1 | C2 | C3 | C5 | 113.5° | 121.3° |
| N1 | C2 | C3 | C4 | 42.7° | 170.0° |
| N1 | C2 | C3 | F1 | 100.3° | 24.3° |
| C2 | N1 | C1 | H17 | 45.1° | 35.0° |
| C2 | C3 | C4 | C5 | 112.0° | 107.5° |
| C2 | C3 | C5 | F1 | 145.6° | 145.0° |
| C2 | C3 | C4 | F1 | 142.6° | 145.0° |
| C3 | C2 | N1 | H1 | 0.1° | 0.1° |
| C2 | C3 | C4 | H3 | 138.4° | 145.0° |
| C2 | C3 | C4 | H4 | 2.5° | 0.1° |
| C2 | C3 | C5 | H5 | 0.2° | 0.0° |
| C2 | C3 | C5 | H6 | 140.7° | 145.1° |
| C4 | C5 | C3 | H5 | 109.8° | 107.5° |
| C4 | C5 | C3 | H6 | 109.8° | 107.4° |
| C5 | C4 | C3 | H3 | 109.5° | 107.5° |
| C5 | C4 | C3 | H4 | 109.5° | 107.5° |
| C4 | C5 | C3 | F1 | 104.8° | 107.5° |
| C5 | C4 | H3 | H4 | 144.6° | 145.6° |
| C4 | C5 | H5 | H6 | 144.1° | 145.7° |
| C3 | C5 | H5 | H6 | 144.2° | 145.7° |
| C3 | C4 | H3 | H4 | 144.6° | 145.8° |
| F1 | C3 | C4 | H3 | 4.2° | 0.0° |
| F1 | C3 | C4 | H4 | 145.1° | 145.1° |
| F1 | C3 | C5 | H5 | 145.4° | 145.0° |
| F1 | C3 | C5 | H6 | 4.9° | 0.1° |
| H1 | N1 | C1 | H17 | 134.9° | 144.6° |
| H2 | N3 | C12 | H18 | 137.1° | 145.0° |
| H3 | C4 | C5 | H5 | 140.7° | 145.0° |
| H3 | C4 | C5 | H6 | 0.3° | 0.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H4 | C4 | C5 | H6 | 140.7° | 145.0° |
| H7 | C7 | C8 | H8 | 137.7° | 144.4° |
| H7 | C7 | C8 | H9 | 17.0° | 21.2° |
| H8 | C8 | C9 | H34 | 23.1° | 35.3° |
| H9 | C8 | C9 | H34 | 97.6° | 88.1° |
| H10 | C10 | C9 | H34 | 25.2° | 36.2° |
| H11 | C10 | C9 | H34 | 95.1° | 86.0° |
| H12 | C15 | C16 | H22 | 0.2° | 0.0° |
| H14 | C26 | H15 | H16 | 120.0° | 120.1° |
| H18 | C12 | C14 | H19 | 62.9° | 60.0° |
| H18 | C12 | C14 | H20 | 177.1° | 60.0° |
| H18 | C12 | C14 | H21 | 57.1° | 179.9° |
| H19 | C14 | H20 | H21 | 120.1° | 120.0° |
| H23 | C18 | C19 | H24 | 0.3° | 0.2° |
| H25 | C23 | H26 | H27 | 120.0° | 120.0° |
| H28 | C25 | H29 | H30 | 120.0° | 120.0° |
| H31 | C27 | H32 | H33 | 120.0° | 120.0° |
| H34 | C9 | O3 | H35 | 55.9° | 56.1° |
