A1H1K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N5 | doub | 1.29Å | 1.27Å | |
| C2 | N1 | sing | 1.37Å | 1.38Å | |
| C10 | N2 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| CL | C7 | sing | 1.74Å | 1.74Å | |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.41Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C11 | sing | 1.35Å | 1.37Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C20 | doub | 1.21Å | 1.23Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | O2 | doub | 1.21Å | 1.22Å | |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.37Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.34Å | 1.35Å | Aromatic |
| C12 | N3 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | doub | 1.37Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | N3 | sing | 1.35Å | 1.34Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| N4 | C21 | sing | 1.46Å | 1.45Å | |
| N4 | C26 | sing | 1.35Å | 1.34Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | S1 | sing | 1.71Å | 1.70Å | Aromatic |
| C27 | C26 | sing | 1.47Å | 1.48Å | |
| C27 | S1 | sing | 1.76Å | 1.71Å | Aromatic |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C25 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | O | doub | 1.22Å | 1.23Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H1 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.08Å | 1.08Å | |
| C12 | H | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| N4 | H33 | sing | 0.97Å | 1.00Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C6 | C7 | 118.9° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.0° |
| C6 | C5 | H9 | 119.4° | 120.0° |
| C5 | C6 | H10 | 120.6° | 120.0° |
| C6 | C7 | CL | 119.3° | 120.0° |
| C6 | C7 | C8 | 121.5° | 120.0° |
| C7 | C6 | H10 | 120.5° | 120.0° |
| N5 | C2 | N1 | 123.5° | 120.0° |
| N5 | C2 | H2 | 118.2° | 120.0° |
| C2 | N5 | H37 | 112.0° | 120.0° |
| C2 | N1 | N2 | 120.2° | 120.0° |
| C2 | N1 | C3 | 121.6° | 120.0° |
| N1 | C2 | H2 | 118.3° | 120.0° |
| C10 | N2 | N1 | 123.2° | 120.0° |
| C10 | N2 | C11 | 124.7° | 120.0° |
| N2 | C10 | H13 | 109.5° | 109.5° |
| N2 | C10 | H15 | 109.5° | 109.5° |
| N2 | C10 | H14 | 109.4° | 109.5° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C5 | C4 | C9 | 118.2° | 120.0° |
| C4 | C5 | H9 | 119.4° | 120.0° |
| CL | C7 | C8 | 119.2° | 120.0° |
| C7 | C8 | C9 | 118.8° | 120.0° |
| C7 | C8 | H11 | 120.6° | 120.0° |
| N2 | N1 | C3 | 117.4° | 120.0° |
| N1 | N2 | C11 | 111.7° | 120.0° |
| N1 | C3 | C4 | 113.0° | 109.5° |
| N1 | C3 | H8 | 108.6° | 109.5° |
| N1 | C3 | H7 | 108.6° | 109.5° |
| N2 | C11 | C12 | 116.7° | 120.0° |
| N2 | C11 | O2 | 122.6° | 120.0° |
| C3 | C4 | C9 | 121.3° | 120.0° |
| C4 | C3 | H8 | 108.6° | 109.4° |
| C4 | C3 | H7 | 108.6° | 109.5° |
| C4 | C9 | C8 | 121.2° | 120.0° |
| C4 | C9 | H12 | 119.4° | 120.0° |
| O1 | C20 | N3 | 123.1° | 120.0° |
| O1 | C20 | C21 | 117.9° | 120.0° |
| C12 | C11 | O2 | 120.8° | 120.0° |
| C11 | C12 | N3 | 109.1° | 109.5° |
| C11 | C12 | C13 | 111.2° | 109.5° |
| C11 | C12 | H | 108.4° | 109.4° |
| C9 | C8 | H11 | 120.6° | 120.0° |
| C8 | C9 | H12 | 119.4° | 120.0° |
| C28 | C29 | C30 | 112.6° | 115.1° |
| C29 | C28 | C27 | 111.9° | 113.3° |
| C29 | C28 | H34 | 124.0° | 123.3° |
| C28 | C29 | H35 | 123.7° | 122.5° |
| C29 | C30 | S1 | 112.7° | 110.9° |
| C30 | C29 | H35 | 123.7° | 122.4° |
| C29 | C30 | H36 | 123.7° | 124.6° |
| N3 | C12 | C13 | 110.4° | 109.5° |
| C12 | N3 | C20 | 121.2° | 120.0° |
| C12 | N3 | H23 | 119.4° | 120.0° |
| N3 | C12 | H | 109.4° | 109.5° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C12 | C13 | H16 | 108.9° | 109.4° |
| C12 | C13 | H17 | 108.9° | 109.5° |
| C13 | C12 | H | 108.3° | 109.4° |
| C28 | C27 | C26 | 129.3° | 125.5° |
| C28 | C27 | S1 | 110.9° | 109.1° |
| C27 | C28 | H34 | 124.1° | 123.3° |
| C23 | C22 | C21 | 109.4° | 109.5° |
| C23 | C22 | C24 | 108.6° | 109.5° |
| C23 | C22 | C25 | 108.6° | 109.5° |
| C22 | C23 | H25 | 109.5° | 109.5° |
| C22 | C23 | H26 | 109.5° | 109.5° |
| C22 | C23 | H24 | 109.5° | 109.4° |
| C18 | C19 | C14 | 120.6° | 120.0° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C19 | C18 | H21 | 119.8° | 120.0° |
| C18 | C19 | H22 | 119.7° | 120.0° |
| C19 | C14 | C13 | 120.7° | 120.0° |
| C19 | C14 | C15 | 118.5° | 120.0° |
| C14 | C19 | H22 | 119.7° | 120.0° |
| N3 | C20 | C21 | 119.0° | 120.0° |
| C20 | N3 | H23 | 119.4° | 120.0° |
| C20 | C21 | N4 | 106.8° | 109.5° |
| C20 | C21 | C22 | 113.2° | 109.5° |
| C20 | C21 | H1 | 107.8° | 109.5° |
| C18 | C17 | C16 | 119.5° | 119.9° |
| C18 | C17 | H20 | 120.3° | 120.1° |
| C17 | C18 | H21 | 119.8° | 119.9° |
| C13 | C14 | C15 | 120.8° | 120.1° |
| C14 | C13 | H16 | 108.9° | 109.4° |
| C14 | C13 | H17 | 108.9° | 109.5° |
| C21 | N4 | C26 | 121.3° | 120.0° |
| N4 | C21 | C22 | 112.5° | 109.5° |
| N4 | C21 | H1 | 108.9° | 109.4° |
| C21 | N4 | H33 | 119.4° | 120.0° |
| N4 | C26 | C27 | 115.6° | 120.0° |
| N4 | C26 | O | 123.5° | 120.0° |
| C26 | N4 | H33 | 119.3° | 120.0° |
| C14 | C15 | C16 | 120.7° | 120.0° |
| C14 | C15 | H18 | 119.6° | 120.0° |
| C30 | S1 | C27 | 91.9° | 91.6° |
| S1 | C30 | H36 | 123.7° | 124.5° |
| C26 | C27 | S1 | 119.8° | 125.4° |
| C27 | C26 | O | 120.9° | 120.0° |
| C21 | C22 | C24 | 110.1° | 109.5° |
| C21 | C22 | C25 | 110.4° | 109.5° |
| C22 | C21 | H1 | 107.6° | 109.5° |
| C24 | C22 | C25 | 109.6° | 109.5° |
| C22 | C24 | H29 | 109.5° | 109.5° |
| C22 | C24 | H28 | 109.5° | 109.5° |
| C22 | C24 | H27 | 109.5° | 109.5° |
| C22 | C25 | H31 | 109.5° | 109.4° |
| C22 | C25 | H30 | 109.5° | 109.5° |
| C22 | C25 | H32 | 109.4° | 109.5° |
| C17 | C16 | C15 | 120.4° | 120.0° |
| C16 | C17 | H20 | 120.2° | 120.0° |
| C17 | C16 | H19 | 119.8° | 120.0° |
| C16 | C15 | H18 | 119.7° | 120.0° |
| C15 | C16 | H19 | 119.8° | 120.0° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.4° |
| H15 | C10 | H14 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.4° | 109.5° |
| H29 | C24 | H28 | 109.5° | 109.5° |
| H29 | C24 | H27 | 109.5° | 109.5° |
| H28 | C24 | H27 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.4° | 109.5° |
| H25 | C23 | H24 | 109.4° | 109.5° |
| H26 | C23 | H24 | 109.5° | 109.5° |
| H31 | C25 | H30 | 109.5° | 109.4° |
| H31 | C25 | H32 | 109.4° | 109.5° |
| H30 | C25 | H32 | 109.5° | 109.5° |
| H8 | C3 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C6 | C7 | H10 | 180.0° | 179.9° |
| C6 | C5 | C4 | H9 | 180.0° | 180.0° |
| C5 | C6 | C7 | CL | 179.1° | 180.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C6 | C5 | C4 | C3 | 178.5° | 180.0° |
| C6 | C5 | C4 | C9 | 0.5° | 0.3° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | C7 | CL | C8 | 179.6° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.3° |
| C7 | C6 | C5 | H9 | 180.0° | 179.9° |
| C6 | C7 | C8 | H11 | 179.4° | 180.0° |
| N5 | C2 | N1 | H2 | 180.0° | 179.9° |
| N5 | C2 | N1 | N2 | 164.8° | 180.0° |
| N5 | C2 | N1 | C3 | 26.0° | 0.2° |
| C2 | N1 | N2 | C10 | 86.5° | 98.7° |
| C2 | N1 | N2 | C3 | 169.6° | 179.8° |
| C2 | N1 | N2 | C11 | 101.0° | 81.3° |
| C2 | N1 | C3 | C4 | 121.2° | 90.8° |
| C2 | N1 | C3 | H8 | 0.7° | 29.2° |
| C2 | N1 | C3 | H7 | 118.3° | 149.2° |
| N1 | C2 | N5 | H37 | 180.0° | 180.0° |
| C10 | N2 | N1 | C11 | 172.5° | 180.0° |
| C10 | N2 | N1 | C3 | 83.1° | 81.1° |
| C10 | N2 | C11 | C12 | 7.1° | 174.5° |
| C10 | N2 | C11 | O2 | 173.0° | 5.5° |
| N2 | C10 | H13 | H15 | 120.0° | 120.1° |
| N2 | C10 | H13 | H14 | 120.0° | 120.0° |
| N2 | C10 | H15 | H14 | 120.0° | 120.0° |
| C5 | C4 | C3 | N1 | 71.9° | 102.7° |
| C5 | C4 | C3 | C9 | 178.9° | 179.7° |
| C5 | C4 | C9 | C8 | 0.4° | 0.6° |
| C4 | C5 | C6 | H10 | 179.9° | 179.9° |
| C5 | C4 | C3 | H8 | 48.6° | 137.4° |
| C5 | C4 | C3 | H7 | 167.5° | 17.4° |
| C5 | C4 | C9 | H12 | 179.6° | 179.8° |
| CL | C7 | C8 | C9 | 179.0° | 179.7° |
| CL | C7 | C6 | H10 | 0.9° | 0.0° |
| CL | C7 | C8 | H11 | 1.0° | 0.1° |
| C7 | C8 | C9 | C4 | 0.1° | 0.6° |
| C7 | C8 | C9 | H11 | 180.0° | 179.7° |
| C8 | C7 | C6 | H10 | 179.5° | 179.9° |
| C7 | C8 | C9 | H12 | 179.8° | 179.8° |
| N2 | N1 | C3 | C4 | 48.3° | 89.4° |
| N1 | N2 | C11 | C12 | 179.4° | 5.5° |
| N1 | N2 | C11 | O2 | 0.6° | 174.5° |
| N1 | N2 | C10 | H13 | 180.0° | 90.0° |
| N1 | N2 | C10 | H15 | 60.0° | 150.0° |
| N1 | N2 | C10 | H14 | 60.0° | 30.0° |
| N2 | N1 | C2 | H2 | 15.2° | 0.1° |
| N2 | N1 | C3 | H8 | 168.8° | 150.6° |
| N2 | N1 | C3 | H7 | 72.2° | 30.6° |
| C3 | N1 | N2 | C11 | 89.4° | 98.9° |
| N1 | C3 | C4 | H8 | 120.5° | 120.0° |
| N1 | C3 | C4 | H7 | 120.5° | 120.0° |
| N1 | C3 | C4 | C9 | 107.0° | 77.7° |
| C3 | N1 | C2 | H2 | 154.0° | 179.7° |
| N1 | C3 | H8 | H7 | 118.4° | 120.0° |
| N2 | C11 | C12 | O2 | 180.0° | 180.0° |
| N2 | C11 | C12 | N3 | 82.6° | 154.3° |
| N2 | C11 | C12 | C13 | 155.5° | 85.6° |
| C11 | N2 | C10 | H13 | 8.5° | 90.0° |
| C11 | N2 | C10 | H15 | 128.5° | 30.0° |
| C11 | N2 | C10 | H14 | 111.5° | 150.0° |
| N2 | C11 | C12 | H | 36.5° | 34.3° |
| C3 | C4 | C9 | C8 | 178.6° | 179.7° |
| C3 | C4 | C5 | H9 | 1.5° | 0.0° |
| C4 | C3 | H8 | H7 | 118.4° | 120.0° |
| C3 | C4 | C9 | H12 | 1.4° | 0.1° |
| C4 | C9 | C8 | H12 | 180.0° | 179.7° |
| C9 | C4 | C5 | H9 | 179.5° | 179.6° |
| C4 | C9 | C8 | H11 | 179.8° | 179.7° |
| C9 | C4 | C3 | H8 | 132.5° | 42.3° |
| C9 | C4 | C3 | H7 | 13.6° | 162.3° |
| O1 | C20 | N3 | C12 | 24.4° | 5.2° |
| O1 | C20 | N3 | C21 | 179.1° | 179.9° |
| O1 | C20 | C21 | N4 | 31.5° | 22.0° |
| O1 | C20 | C21 | C22 | 92.8° | 98.1° |
| O1 | C20 | N3 | H23 | 155.6° | 174.8° |
| O1 | C20 | C21 | H1 | 148.4° | 141.9° |
| C11 | C12 | N3 | C13 | 122.4° | 120.0° |
| C11 | C12 | N3 | H | 118.5° | 120.0° |
| C11 | C12 | C13 | H | 119.0° | 119.9° |
| C11 | C12 | N3 | C20 | 135.3° | 155.0° |
| C11 | C12 | C13 | C14 | 175.8° | 174.6° |
| C11 | C12 | N3 | H23 | 44.7° | 25.0° |
| C11 | C12 | C13 | H16 | 55.4° | 65.5° |
| C11 | C12 | C13 | H17 | 63.8° | 54.5° |
| O2 | C11 | C12 | N3 | 97.5° | 25.7° |
| O2 | C11 | C12 | C13 | 24.4° | 94.4° |
| O2 | C11 | C12 | H | 143.4° | 145.7° |
| C28 | C29 | C30 | H35 | 180.0° | 179.9° |
| C29 | C28 | C27 | H34 | 180.0° | 179.7° |
| C28 | C29 | C30 | S1 | 0.1° | 0.3° |
| C29 | C28 | C27 | C26 | 179.9° | 179.7° |
| C29 | C28 | C27 | S1 | 0.1° | 0.3° |
| C28 | C29 | C30 | H36 | 179.9° | 180.0° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C29 | C30 | S1 | H36 | 180.0° | 179.7° |
| C29 | C30 | S1 | C27 | 0.0° | 0.4° |
| C30 | C29 | C28 | H34 | 179.9° | 179.7° |
| N3 | C12 | C13 | H | 119.8° | 120.0° |
| C12 | N3 | C20 | H23 | 180.0° | 180.0° |
| C12 | N3 | C20 | C21 | 156.5° | 174.7° |
| N3 | C12 | C13 | C14 | 54.6° | 65.4° |
| N3 | C12 | C13 | H16 | 65.7° | 54.5° |
| N3 | C12 | C13 | H17 | 175.0° | 174.5° |
| C12 | C13 | C14 | C19 | 93.0° | 89.6° |
| C13 | C12 | N3 | C20 | 102.3° | 85.0° |
| C12 | C13 | C14 | H16 | 120.4° | 119.9° |
| C12 | C13 | C14 | H17 | 120.4° | 120.1° |
| C12 | C13 | C14 | C15 | 84.8° | 90.5° |
| C13 | C12 | N3 | H23 | 77.7° | 95.0° |
| C12 | C13 | H16 | H17 | 118.9° | 120.0° |
| C28 | C27 | C26 | N4 | 19.5° | 180.0° |
| C28 | C27 | S1 | C30 | 0.0° | 0.4° |
| C28 | C27 | C26 | S1 | 180.0° | 180.0° |
| C28 | C27 | C26 | O | 160.0° | 0.0° |
| C27 | C28 | C29 | H35 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 32.4° | 176.2° |
| C23 | C22 | C21 | N4 | 88.8° | 56.2° |
| C23 | C22 | C21 | C24 | 119.4° | 120.0° |
| C23 | C22 | C21 | C25 | 119.4° | 120.0° |
| C23 | C22 | C24 | C25 | 118.5° | 120.0° |
| C23 | C22 | C21 | H1 | 151.3° | 63.8° |
| C23 | C22 | C24 | H29 | 180.0° | 57.9° |
| C23 | C22 | C24 | H28 | 60.0° | 62.1° |
| C23 | C22 | C24 | H27 | 60.0° | 177.9° |
| C22 | C23 | H25 | H26 | 120.0° | 120.0° |
| C22 | C23 | H25 | H24 | 120.0° | 119.9° |
| C22 | C23 | H26 | H24 | 120.0° | 120.0° |
| C23 | C22 | C25 | H31 | 180.0° | 180.0° |
| C23 | C22 | C25 | H30 | 60.0° | 60.0° |
| C23 | C22 | C25 | H32 | 60.0° | 60.0° |
| C18 | C19 | C14 | H22 | 180.0° | 179.7° |
| C19 | C18 | C17 | H21 | 180.0° | 179.4° |
| C18 | C19 | C14 | C13 | 177.4° | 180.0° |
| C18 | C19 | C14 | C15 | 0.5° | 0.1° |
| C19 | C18 | C17 | C16 | 0.3° | 0.6° |
| C19 | C18 | C17 | H20 | 179.7° | 180.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.3° |
| C19 | C14 | C13 | C15 | 177.8° | 180.0° |
| C19 | C14 | C15 | C16 | 0.6° | 0.1° |
| C19 | C14 | C13 | H16 | 146.7° | 150.5° |
| C19 | C14 | C13 | H17 | 27.4° | 30.5° |
| C19 | C14 | C15 | H18 | 179.4° | 179.7° |
| C14 | C19 | C18 | H21 | 179.9° | 179.7° |
| N3 | C20 | C21 | N4 | 149.4° | 158.0° |
| N3 | C20 | C21 | C22 | 86.3° | 82.0° |
| N3 | C20 | C21 | H1 | 32.5° | 38.0° |
| C20 | N3 | C12 | H | 16.8° | 35.0° |
| C20 | C21 | N4 | C22 | 124.8° | 120.0° |
| C20 | C21 | N4 | H1 | 116.1° | 120.0° |
| C20 | C21 | N4 | C26 | 139.0° | 155.0° |
| C20 | C21 | C22 | H1 | 118.9° | 120.0° |
| C20 | C21 | C22 | C24 | 151.8° | 63.8° |
| C20 | C21 | C22 | C25 | 87.0° | 56.2° |
| C21 | C20 | N3 | H23 | 23.5° | 5.3° |
| C20 | C21 | N4 | H33 | 41.0° | 25.0° |
| C18 | C17 | C16 | H20 | 180.0° | 179.4° |
| C18 | C17 | C16 | C15 | 0.2° | 0.6° |
| C18 | C17 | C16 | H19 | 179.8° | 179.5° |
| C17 | C18 | C19 | H22 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 177.3° | 180.0° |
| C14 | C13 | H16 | H17 | 118.9° | 120.0° |
| C13 | C14 | C15 | H18 | 2.7° | 0.3° |
| C14 | C13 | C12 | H | 65.2° | 54.6° |
| C13 | C14 | C19 | H22 | 2.7° | 0.3° |
| C21 | N4 | C26 | H33 | 180.0° | 180.0° |
| C21 | N4 | C26 | C27 | 175.7° | 180.0° |
| N4 | C21 | C22 | H1 | 119.9° | 120.0° |
| N4 | C21 | C22 | C24 | 30.6° | 176.2° |
| N4 | C21 | C22 | C25 | 151.8° | 63.8° |
| C21 | N4 | C26 | O | 4.8° | 0.0° |
| N4 | C26 | C27 | O | 179.5° | 180.0° |
| N4 | C26 | C27 | S1 | 160.5° | 0.0° |
| C26 | N4 | C21 | C22 | 96.2° | 85.0° |
| C26 | N4 | C21 | H1 | 22.9° | 35.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.3° |
| C14 | C15 | C16 | H18 | 180.0° | 179.7° |
| C15 | C14 | C13 | H16 | 35.6° | 29.5° |
| C15 | C14 | C13 | H17 | 154.8° | 149.5° |
| C14 | C15 | C16 | H19 | 179.7° | 179.7° |
| C15 | C14 | C19 | H22 | 179.5° | 179.7° |
| C30 | S1 | C27 | C26 | 180.0° | 179.6° |
| S1 | C30 | C29 | H35 | 179.9° | 179.7° |
| C26 | C27 | C28 | H34 | 0.1° | 0.1° |
| C27 | C26 | N4 | H33 | 4.3° | 0.0° |
| S1 | C27 | C26 | O | 20.0° | 180.0° |
| S1 | C27 | C28 | H34 | 179.9° | 180.0° |
| C27 | S1 | C30 | H36 | 179.9° | 179.9° |
| C21 | C22 | C24 | C25 | 121.7° | 120.0° |
| C21 | C22 | C24 | H29 | 60.2° | 62.1° |
| C21 | C22 | C24 | H28 | 59.8° | 177.9° |
| C21 | C22 | C24 | H27 | 179.8° | 57.9° |
| C21 | C22 | C23 | H25 | 180.0° | 59.9° |
| C21 | C22 | C23 | H26 | 60.0° | 180.0° |
| C21 | C22 | C23 | H24 | 60.0° | 60.0° |
| C21 | C22 | C25 | H31 | 60.0° | 60.0° |
| C21 | C22 | C25 | H30 | 180.0° | 180.0° |
| C21 | C22 | C25 | H32 | 59.9° | 60.0° |
| C22 | C21 | N4 | H33 | 83.8° | 95.0° |
| C24 | C22 | C21 | H1 | 89.3° | 56.2° |
| C22 | C24 | H29 | H28 | 120.0° | 120.0° |
| C22 | C24 | H29 | H27 | 120.0° | 120.0° |
| C22 | C24 | H28 | H27 | 120.0° | 120.0° |
| C24 | C22 | C23 | H25 | 59.7° | 179.9° |
| C24 | C22 | C23 | H26 | 60.3° | 60.0° |
| C24 | C22 | C23 | H24 | 179.7° | 60.0° |
| C24 | C22 | C25 | H31 | 61.5° | 60.0° |
| C24 | C22 | C25 | H30 | 58.5° | 60.0° |
| C24 | C22 | C25 | H32 | 178.5° | 180.0° |
| C25 | C22 | C21 | H1 | 31.9° | 176.2° |
| C25 | C22 | C24 | H29 | 61.5° | 177.9° |
| C25 | C22 | C24 | H28 | 178.5° | 57.9° |
| C25 | C22 | C24 | H27 | 58.5° | 62.1° |
| C25 | C22 | C23 | H25 | 59.4° | 60.0° |
| C25 | C22 | C23 | H26 | 179.4° | 60.0° |
| C25 | C22 | C23 | H24 | 60.6° | 180.0° |
| C22 | C25 | H31 | H30 | 120.0° | 120.0° |
| C22 | C25 | H31 | H32 | 120.0° | 120.0° |
| C22 | C25 | H30 | H32 | 120.0° | 120.0° |
| C17 | C16 | C15 | H19 | 180.0° | 180.0° |
| C17 | C16 | C15 | H18 | 179.7° | 180.0° |
| C16 | C17 | C18 | H21 | 179.8° | 180.0° |
| O | C26 | N4 | H33 | 175.2° | 180.0° |
| C15 | C16 | C17 | H20 | 179.8° | 180.0° |
| H23 | N3 | C12 | H | 163.2° | 145.0° |
| H9 | C5 | C6 | H10 | 0.1° | 0.0° |
| H11 | C8 | C9 | H12 | 0.2° | 0.0° |
| H13 | C10 | H15 | H14 | 120.0° | 119.9° |
| H16 | C13 | C12 | H | 174.5° | 174.6° |
| H17 | C13 | C12 | H | 55.2° | 65.4° |
| H18 | C15 | C16 | H19 | 0.3° | 0.0° |
| H20 | C17 | C16 | H19 | 0.2° | 0.0° |
| H20 | C17 | C18 | H21 | 0.3° | 0.6° |
| H1 | C21 | N4 | H33 | 157.1° | 145.1° |
| H29 | C24 | H28 | H27 | 120.0° | 120.0° |
| H34 | C28 | C29 | H35 | 0.1° | 0.3° |
| H21 | C18 | C19 | H22 | 0.1° | 0.6° |
| H2 | C2 | N5 | H37 | 0.0° | 0.0° |
| H25 | C23 | H26 | H24 | 119.9° | 120.0° |
| H31 | C25 | H30 | H32 | 120.0° | 120.0° |
| H35 | C29 | C30 | H36 | 0.1° | 0.0° |
