JUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C5 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C4 | sing | 1.33Å | 1.30Å | Aromatic |
| C5 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| C1 | O1 | sing | 1.43Å | 1.40Å | |
| O1 | C2 | sing | 1.36Å | 1.38Å | |
| N1 | C4 | sing | 1.38Å | 1.49Å | |
| N1 | C3 | sing | 1.40Å | 1.49Å | |
| C4 | N8 | doub | 1.33Å | 1.32Å | Aromatic |
| N3 | C6 | doub | 1.33Å | 1.30Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C3 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| N8 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N4 | sing | 1.38Å | 1.48Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| N4 | C7 | sing | 1.40Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.63Å | |
| C13 | S1 | sing | 1.81Å | 1.81Å | |
| C25 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | O5 | sing | 1.36Å | 1.41Å | |
| O2 | S1 | doub | 1.42Å | 1.62Å | |
| C7 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.36Å | Aromatic |
| O3 | C16 | doub | 1.21Å | 1.17Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| S1 | C12 | sing | 1.76Å | 1.85Å | |
| S1 | O4 | doub | 1.42Å | 1.62Å | |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| O5 | C24 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | N5 | sing | 1.47Å | 1.46Å | |
| C16 | N5 | sing | 1.35Å | 1.47Å | |
| C16 | C17 | sing | 1.51Å | 1.57Å | |
| N7 | C17 | sing | 1.47Å | 1.39Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.53Å | 1.56Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| N6 | C21 | sing | 1.47Å | 1.45Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H20 | sing | 1.09Å | 1.10Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C9 | H30 | sing | 1.08Å | 1.08Å | |
| N4 | H31 | sing | 0.97Å | 1.00Å | |
| N5 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 1.01Å | 1.00Å | |
| N6 | H34 | sing | 1.01Å | 1.00Å | |
| N7 | H36 | sing | 1.01Å | 1.00Å | |
| N7 | H37 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N2 | C4 | 120.6° | 120.1° |
| N2 | C5 | N3 | 119.5° | 120.2° |
| N2 | C5 | H2 | 120.3° | 119.9° |
| N2 | C4 | N1 | 116.9° | 120.1° |
| N2 | C4 | N8 | 120.1° | 119.9° |
| C5 | N3 | C6 | 120.5° | 120.0° |
| N3 | C5 | H2 | 120.2° | 119.9° |
| C1 | O1 | C2 | 113.2° | 117.0° |
| O1 | C1 | H19 | 109.5° | 109.5° |
| O1 | C1 | H20 | 109.5° | 109.4° |
| O1 | C1 | H21 | 109.5° | 109.5° |
| O1 | C2 | C3 | 119.4° | 120.0° |
| O1 | C2 | C26 | 119.8° | 120.0° |
| C4 | N1 | C3 | 124.7° | 120.0° |
| N1 | C4 | N8 | 123.1° | 120.0° |
| C4 | N1 | H1 | 117.6° | 120.0° |
| N1 | C3 | C2 | 118.2° | 120.1° |
| N1 | C3 | C22 | 121.9° | 120.1° |
| C3 | N1 | H1 | 117.7° | 120.1° |
| C4 | N8 | C6 | 119.4° | 119.8° |
| N3 | C6 | N8 | 119.9° | 119.9° |
| N3 | C6 | N4 | 116.6° | 120.0° |
| C3 | C2 | C26 | 120.8° | 120.0° |
| C2 | C3 | C22 | 119.9° | 119.8° |
| C2 | C26 | C25 | 119.6° | 120.1° |
| C2 | C26 | H18 | 120.2° | 120.0° |
| C3 | C22 | C23 | 119.3° | 119.9° |
| C3 | C22 | H14 | 120.4° | 120.0° |
| N8 | C6 | N4 | 123.4° | 120.0° |
| C6 | N4 | C7 | 124.3° | 120.0° |
| C6 | N4 | H31 | 117.8° | 120.0° |
| C26 | C25 | C23 | 119.7° | 120.1° |
| C25 | C26 | H18 | 120.2° | 120.0° |
| C26 | C25 | H29 | 120.1° | 119.9° |
| C22 | C23 | C25 | 120.7° | 120.1° |
| C22 | C23 | O5 | 120.1° | 120.0° |
| C23 | C22 | H14 | 120.3° | 120.0° |
| N4 | C7 | C8 | 121.3° | 120.1° |
| N4 | C7 | C12 | 118.6° | 120.1° |
| C7 | N4 | H31 | 117.8° | 120.0° |
| C14 | C13 | S1 | 109.8° | 109.5° |
| C13 | C14 | C15 | 111.0° | 109.5° |
| C14 | C13 | H5 | 109.4° | 109.5° |
| C14 | C13 | H6 | 109.4° | 109.4° |
| C13 | C14 | H23 | 109.1° | 109.5° |
| C13 | C14 | H24 | 109.1° | 109.5° |
| C13 | S1 | O2 | 108.8° | 110.5° |
| C13 | S1 | C12 | 111.4° | 104.4° |
| C13 | S1 | O4 | 109.2° | 110.5° |
| S1 | C13 | H5 | 109.4° | 109.5° |
| S1 | C13 | H6 | 109.4° | 109.5° |
| C25 | C23 | O5 | 119.2° | 120.0° |
| C23 | C25 | H29 | 120.2° | 120.0° |
| C23 | O5 | C24 | 112.8° | 117.0° |
| O2 | S1 | C12 | 108.0° | 104.3° |
| O2 | S1 | O4 | 110.0° | 121.0° |
| C8 | C7 | C12 | 120.1° | 119.9° |
| C7 | C8 | C9 | 119.4° | 119.9° |
| C7 | C8 | H3 | 120.3° | 120.0° |
| C7 | C12 | S1 | 119.1° | 120.0° |
| C7 | C12 | C11 | 120.7° | 119.9° |
| O3 | C16 | N5 | 119.6° | 119.9° |
| O3 | C16 | C17 | 120.1° | 120.0° |
| C14 | C15 | N5 | 110.1° | 109.5° |
| C14 | C15 | H7 | 109.3° | 109.4° |
| C14 | C15 | H8 | 109.3° | 109.5° |
| C15 | C14 | H23 | 109.1° | 109.5° |
| C15 | C14 | H24 | 109.1° | 109.5° |
| C12 | S1 | O4 | 109.5° | 104.3° |
| S1 | C12 | C11 | 120.3° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.0° |
| C9 | C8 | H3 | 120.3° | 120.0° |
| C8 | C9 | H30 | 119.8° | 120.0° |
| O5 | C24 | H15 | 109.5° | 109.5° |
| O5 | C24 | H16 | 109.5° | 109.5° |
| O5 | C24 | H17 | 109.5° | 109.5° |
| C12 | C11 | C10 | 119.2° | 120.1° |
| C12 | C11 | H22 | 120.4° | 120.0° |
| C15 | N5 | C16 | 118.6° | 120.0° |
| N5 | C15 | H7 | 109.3° | 109.4° |
| N5 | C15 | H8 | 109.3° | 109.5° |
| C15 | N5 | H32 | 120.7° | 120.0° |
| N5 | C16 | C17 | 120.2° | 120.0° |
| C16 | N5 | H32 | 120.7° | 119.9° |
| C16 | C17 | N7 | 108.9° | 109.5° |
| C16 | C17 | C18 | 109.1° | 109.5° |
| C16 | C17 | H9 | 108.9° | 109.5° |
| N7 | C17 | C18 | 109.3° | 109.5° |
| N7 | C17 | H9 | 111.6° | 109.5° |
| C17 | N7 | H36 | 109.5° | 111.0° |
| C17 | N7 | H37 | 109.5° | 111.0° |
| C9 | C10 | C11 | 120.3° | 120.2° |
| C9 | C10 | H4 | 119.8° | 119.9° |
| C10 | C9 | H30 | 119.8° | 120.0° |
| C17 | C18 | C19 | 112.3° | 109.5° |
| C18 | C17 | H9 | 109.0° | 109.5° |
| C17 | C18 | H25 | 108.7° | 109.5° |
| C17 | C18 | H26 | 108.8° | 109.5° |
| C18 | C19 | C20 | 110.8° | 109.5° |
| C19 | C18 | H25 | 108.8° | 109.4° |
| C19 | C18 | H26 | 108.7° | 109.5° |
| C18 | C19 | H27 | 109.1° | 109.5° |
| C18 | C19 | H28 | 109.1° | 109.4° |
| C11 | C10 | H4 | 119.8° | 120.0° |
| C10 | C11 | H22 | 120.4° | 120.0° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| C19 | C20 | H10 | 108.8° | 109.5° |
| C19 | C20 | H11 | 108.8° | 109.4° |
| C20 | C19 | H27 | 109.2° | 109.5° |
| C20 | C19 | H28 | 109.1° | 109.4° |
| C20 | C21 | N6 | 110.5° | 109.4° |
| C21 | C20 | H10 | 108.8° | 109.5° |
| C21 | C20 | H11 | 108.8° | 109.5° |
| C20 | C21 | H12 | 109.2° | 109.4° |
| C20 | C21 | H13 | 109.2° | 109.5° |
| N6 | C21 | H12 | 109.2° | 109.5° |
| N6 | C21 | H13 | 109.2° | 109.5° |
| C21 | N6 | H33 | 109.5° | 111.0° |
| C21 | N6 | H34 | 109.5° | 111.0° |
| H5 | C13 | H6 | 109.4° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H15 | C24 | H16 | 109.4° | 109.4° |
| H15 | C24 | H17 | 109.5° | 109.4° |
| H16 | C24 | H17 | 109.5° | 109.5° |
| H19 | C1 | H20 | 109.5° | 109.4° |
| H19 | C1 | H21 | 109.4° | 109.5° |
| H20 | C1 | H21 | 109.5° | 109.5° |
| H23 | C14 | H24 | 109.5° | 109.4° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H33 | N6 | H34 | 109.5° | 111.0° |
| H36 | N7 | H37 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C5 | N3 | H2 | 180.0° | 180.0° |
| C5 | N2 | C4 | N1 | 179.9° | 179.9° |
| C5 | N2 | C4 | N8 | 0.1° | 0.0° |
| N2 | C5 | N3 | C6 | 0.1° | 0.0° |
| C4 | N2 | C5 | N3 | 0.1° | 0.0° |
| N2 | C4 | N1 | N8 | 179.7° | 180.0° |
| N2 | C4 | N1 | C3 | 168.9° | 6.1° |
| N2 | C4 | N8 | C6 | 0.2° | 0.0° |
| N2 | C4 | N1 | H1 | 11.1° | 174.1° |
| C4 | N2 | C5 | H2 | 179.9° | 180.0° |
| C5 | N3 | C6 | N8 | 0.2° | 0.0° |
| C5 | N3 | C6 | N4 | 179.8° | 180.0° |
| C1 | O1 | C2 | C3 | 158.8° | 180.0° |
| C1 | O1 | C2 | C26 | 21.3° | 0.6° |
| O1 | C1 | H19 | H20 | 120.0° | 119.9° |
| O1 | C1 | H19 | H21 | 120.0° | 120.1° |
| O1 | C1 | H20 | H21 | 120.0° | 120.1° |
| O1 | C2 | C3 | N1 | 0.4° | 0.1° |
| O1 | C2 | C3 | C26 | 179.9° | 179.5° |
| O1 | C2 | C3 | C22 | 179.8° | 179.9° |
| O1 | C2 | C26 | C25 | 180.0° | 179.8° |
| O1 | C2 | C26 | H18 | 0.1° | 0.3° |
| C2 | O1 | C1 | H19 | 180.0° | 180.0° |
| C2 | O1 | C1 | H20 | 60.0° | 60.1° |
| C2 | O1 | C1 | H21 | 60.0° | 59.9° |
| C4 | N1 | C3 | H1 | 180.0° | 179.8° |
| C4 | N1 | C3 | C2 | 154.0° | 151.6° |
| C4 | N1 | C3 | C22 | 26.6° | 28.4° |
| N1 | C4 | N8 | C6 | 179.9° | 180.0° |
| C3 | N1 | C4 | N8 | 11.4° | 173.9° |
| N1 | C3 | C2 | C22 | 179.4° | 180.0° |
| N1 | C3 | C2 | C26 | 179.7° | 179.6° |
| N1 | C3 | C22 | C23 | 179.9° | 179.9° |
| N1 | C3 | C22 | H14 | 0.1° | 0.3° |
| C4 | N8 | C6 | N3 | 0.2° | 0.0° |
| C4 | N8 | C6 | N4 | 179.8° | 180.0° |
| N8 | C4 | N1 | H1 | 168.6° | 5.9° |
| N3 | C6 | N8 | N4 | 179.6° | 180.0° |
| N3 | C6 | N4 | C7 | 159.7° | 6.1° |
| C6 | N3 | C5 | H2 | 179.9° | 180.0° |
| N3 | C6 | N4 | H31 | 20.3° | 173.8° |
| C3 | C2 | C26 | C25 | 0.1° | 0.7° |
| C2 | C3 | C22 | C23 | 0.6° | 0.0° |
| C2 | C3 | N1 | H1 | 26.1° | 28.6° |
| C2 | C3 | C22 | H14 | 179.5° | 179.7° |
| C3 | C2 | C26 | H18 | 179.9° | 179.7° |
| C26 | C2 | C3 | C22 | 0.3° | 0.5° |
| C2 | C26 | C25 | H18 | 180.0° | 179.5° |
| C2 | C26 | C25 | C23 | 0.2° | 0.5° |
| C2 | C26 | C25 | H29 | 179.8° | 179.5° |
| C3 | C22 | C23 | H14 | 180.0° | 179.7° |
| C3 | C22 | C23 | C25 | 0.6° | 0.3° |
| C3 | C22 | C23 | O5 | 180.0° | 179.8° |
| C22 | C3 | N1 | H1 | 153.4° | 151.4° |
| N8 | C6 | N4 | C7 | 20.7° | 173.9° |
| N8 | C6 | N4 | H31 | 159.3° | 6.2° |
| C6 | N4 | C7 | H31 | 180.0° | 179.9° |
| C6 | N4 | C7 | C8 | 16.3° | 30.5° |
| C6 | N4 | C7 | C12 | 165.2° | 149.2° |
| C26 | C25 | C23 | C22 | 0.4° | 0.1° |
| C26 | C25 | C23 | H29 | 180.0° | 180.0° |
| C26 | C25 | C23 | O5 | 179.8° | 180.0° |
| C22 | C23 | C25 | O5 | 179.4° | 179.9° |
| C22 | C23 | O5 | C24 | 134.4° | 180.0° |
| C22 | C23 | C25 | H29 | 179.6° | 180.0° |
| N4 | C7 | C8 | C12 | 178.6° | 179.7° |
| N4 | C7 | C12 | S1 | 0.9° | 0.3° |
| N4 | C7 | C8 | C9 | 179.6° | 179.7° |
| N4 | C7 | C12 | C11 | 179.5° | 179.7° |
| N4 | C7 | C8 | H3 | 0.4° | 0.3° |
| C14 | C13 | S1 | H5 | 120.0° | 120.0° |
| C14 | C13 | S1 | H6 | 120.1° | 119.9° |
| C14 | C13 | S1 | O2 | 180.0° | 68.3° |
| C13 | C14 | C15 | H23 | 120.2° | 120.0° |
| C13 | C14 | C15 | H24 | 120.2° | 120.1° |
| C14 | C13 | S1 | C12 | 61.1° | 180.0° |
| C14 | C13 | S1 | O4 | 60.0° | 68.4° |
| C13 | C14 | C15 | N5 | 174.5° | 180.0° |
| C14 | C13 | H5 | H6 | 119.8° | 120.0° |
| C13 | C14 | C15 | H7 | 65.4° | 60.1° |
| C13 | C14 | C15 | H8 | 54.4° | 60.0° |
| C13 | C14 | H23 | H24 | 119.3° | 120.0° |
| C13 | S1 | O2 | C12 | 121.0° | 111.7° |
| C13 | S1 | O2 | O4 | 119.5° | 131.5° |
| C13 | S1 | C12 | C7 | 75.5° | 65.0° |
| S1 | C13 | C14 | C15 | 85.7° | 180.0° |
| C13 | S1 | C12 | O4 | 120.9° | 116.1° |
| C13 | S1 | C12 | C11 | 104.1° | 115.0° |
| S1 | C13 | H5 | H6 | 119.9° | 120.0° |
| S1 | C13 | C14 | H23 | 34.5° | 60.0° |
| S1 | C13 | C14 | H24 | 154.1° | 60.0° |
| C25 | C23 | O5 | C24 | 46.2° | 0.0° |
| C25 | C23 | C22 | H14 | 179.4° | 180.0° |
| C23 | C25 | C26 | H18 | 179.9° | 180.0° |
| O5 | C23 | C22 | H14 | 0.0° | 0.1° |
| C23 | O5 | C24 | H15 | 180.0° | 60.0° |
| C23 | O5 | C24 | H16 | 60.0° | 60.0° |
| C23 | O5 | C24 | H17 | 60.0° | 179.9° |
| O5 | C23 | C25 | H29 | 0.2° | 0.0° |
| O2 | S1 | C12 | C7 | 43.9° | 178.9° |
| O2 | S1 | C12 | O4 | 119.8° | 127.9° |
| O2 | S1 | C12 | C11 | 136.6° | 1.1° |
| O2 | S1 | C13 | H5 | 60.0° | 171.7° |
| O2 | S1 | C13 | H6 | 59.9° | 51.6° |
| C8 | C7 | C12 | S1 | 179.5° | 180.0° |
| C7 | C8 | C9 | H3 | 180.0° | 180.0° |
| C8 | C7 | C12 | C11 | 0.9° | 0.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.1° |
| C7 | C8 | C9 | H30 | 179.4° | 180.0° |
| C8 | C7 | N4 | H31 | 163.7° | 149.6° |
| C7 | C12 | S1 | C11 | 179.6° | 180.0° |
| C7 | C12 | S1 | O4 | 163.7° | 51.0° |
| C12 | C7 | C8 | C9 | 1.0° | 0.0° |
| C7 | C12 | C11 | C10 | 0.3° | 0.0° |
| C12 | C7 | C8 | H3 | 178.9° | 180.0° |
| C7 | C12 | C11 | H22 | 179.7° | 180.0° |
| C12 | C7 | N4 | H31 | 14.9° | 30.7° |
| O3 | C16 | N5 | C15 | 0.2° | 0.1° |
| O3 | C16 | N5 | C17 | 179.9° | 179.9° |
| O3 | C16 | C17 | N7 | 50.5° | 20.0° |
| O3 | C16 | C17 | C18 | 68.8° | 100.0° |
| O3 | C16 | C17 | H9 | 172.3° | 140.0° |
| O3 | C16 | N5 | H32 | 179.8° | 180.0° |
| C14 | C15 | N5 | H7 | 120.1° | 119.9° |
| C14 | C15 | N5 | H8 | 120.1° | 120.0° |
| C14 | C15 | N5 | C16 | 77.5° | 180.0° |
| C15 | C14 | C13 | H5 | 34.4° | 60.0° |
| C15 | C14 | C13 | H6 | 154.2° | 60.0° |
| C14 | C15 | H7 | H8 | 119.7° | 120.0° |
| C15 | C14 | H23 | H24 | 119.3° | 120.0° |
| C14 | C15 | N5 | H32 | 102.5° | 0.1° |
| S1 | C12 | C11 | C10 | 179.9° | 180.0° |
| C12 | S1 | C13 | H5 | 178.8° | 60.0° |
| C12 | S1 | C13 | H6 | 59.0° | 60.0° |
| S1 | C12 | C11 | H22 | 0.1° | 0.0° |
| O4 | S1 | C12 | C11 | 16.8° | 129.0° |
| O4 | S1 | C13 | H5 | 60.1° | 51.6° |
| O4 | S1 | C13 | H6 | 180.0° | 171.7° |
| C8 | C9 | C10 | H30 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 0.0° | 0.1° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| O5 | C24 | H15 | H16 | 120.0° | 120.1° |
| O5 | C24 | H15 | H17 | 120.0° | 120.0° |
| O5 | C24 | H16 | H17 | 120.0° | 120.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.1° |
| C12 | C11 | C10 | H22 | 180.0° | 180.0° |
| C12 | C11 | C10 | H4 | 179.9° | 180.0° |
| C15 | N5 | C16 | H32 | 180.0° | 179.9° |
| C15 | N5 | C16 | C17 | 179.8° | 180.0° |
| N5 | C15 | H7 | H8 | 119.7° | 120.0° |
| N5 | C15 | C14 | H23 | 54.2° | 60.0° |
| N5 | C15 | C14 | H24 | 65.3° | 59.9° |
| N5 | C16 | C17 | N7 | 129.6° | 160.0° |
| N5 | C16 | C17 | C18 | 111.2° | 80.0° |
| C16 | N5 | C15 | H7 | 42.6° | 60.1° |
| C16 | N5 | C15 | H8 | 162.4° | 60.0° |
| N5 | C16 | C17 | H9 | 7.7° | 40.0° |
| C16 | C17 | N7 | C18 | 119.1° | 120.0° |
| C16 | C17 | N7 | H9 | 120.2° | 120.0° |
| C16 | C17 | C18 | H9 | 118.8° | 120.0° |
| C16 | C17 | C18 | C19 | 75.0° | 175.0° |
| C16 | C17 | C18 | H25 | 164.5° | 65.0° |
| C16 | C17 | C18 | H26 | 45.4° | 55.0° |
| C17 | C16 | N5 | H32 | 0.2° | 0.1° |
| C16 | C17 | N7 | H36 | 180.0° | 64.0° |
| C16 | C17 | N7 | H37 | 60.0° | 60.0° |
| N7 | C17 | C18 | H9 | 122.2° | 120.0° |
| N7 | C17 | C18 | C19 | 166.0° | 65.0° |
| N7 | C17 | C18 | H25 | 45.6° | 55.0° |
| N7 | C17 | C18 | H26 | 73.6° | 175.0° |
| C17 | N7 | H36 | H37 | 120.0° | 124.0° |
| C9 | C10 | C11 | H4 | 180.0° | 179.9° |
| C10 | C9 | C8 | H3 | 179.4° | 179.9° |
| C9 | C10 | C11 | H22 | 179.9° | 179.9° |
| C17 | C18 | C19 | H25 | 120.4° | 120.0° |
| C17 | C18 | C19 | H26 | 120.4° | 120.0° |
| C17 | C18 | C19 | C20 | 164.5° | 180.0° |
| C17 | C18 | H25 | H26 | 118.7° | 120.0° |
| C17 | C18 | C19 | H27 | 75.3° | 60.0° |
| C17 | C18 | C19 | H28 | 44.3° | 60.1° |
| C18 | C17 | N7 | H36 | 60.9° | 176.0° |
| C18 | C17 | N7 | H37 | 179.1° | 60.0° |
| C18 | C19 | C20 | H27 | 120.2° | 120.1° |
| C18 | C19 | C20 | H28 | 120.2° | 120.0° |
| C18 | C19 | C20 | C21 | 83.0° | 180.0° |
| C19 | C18 | C17 | H9 | 43.8° | 55.0° |
| C18 | C19 | C20 | H10 | 37.4° | 59.9° |
| C18 | C19 | C20 | H11 | 156.7° | 60.0° |
| C19 | C18 | H25 | H26 | 118.7° | 120.0° |
| C18 | C19 | H27 | H28 | 119.4° | 120.0° |
| C11 | C10 | C9 | H30 | 180.0° | 180.0° |
| C19 | C20 | C21 | H10 | 120.4° | 120.0° |
| C19 | C20 | C21 | H11 | 120.4° | 119.9° |
| C19 | C20 | C21 | N6 | 128.3° | 180.0° |
| C19 | C20 | H10 | H11 | 118.8° | 119.9° |
| C19 | C20 | C21 | H12 | 111.5° | 60.1° |
| C19 | C20 | C21 | H13 | 8.2° | 60.0° |
| C20 | C19 | C18 | H25 | 44.1° | 60.0° |
| C20 | C19 | C18 | H26 | 75.1° | 60.0° |
| C20 | C19 | H27 | H28 | 119.4° | 120.0° |
| C20 | C21 | N6 | H12 | 120.1° | 119.9° |
| C20 | C21 | N6 | H13 | 120.1° | 120.0° |
| C21 | C20 | H10 | H11 | 118.8° | 120.1° |
| C20 | C21 | H12 | H13 | 119.5° | 120.0° |
| C21 | C20 | C19 | H27 | 156.8° | 60.0° |
| C21 | C20 | C19 | H28 | 37.2° | 60.0° |
| C20 | C21 | N6 | H33 | 180.0° | 180.0° |
| C20 | C21 | N6 | H34 | 60.0° | 56.1° |
| N6 | C21 | C20 | H10 | 7.9° | 60.0° |
| N6 | C21 | C20 | H11 | 111.3° | 60.0° |
| N6 | C21 | H12 | H13 | 119.5° | 120.0° |
| C21 | N6 | H33 | H34 | 120.0° | 123.9° |
| H3 | C8 | C9 | H30 | 0.6° | 0.1° |
| H4 | C10 | C11 | H22 | 0.1° | 0.1° |
| H4 | C10 | C9 | H30 | 0.0° | 0.1° |
| H5 | C13 | C14 | H23 | 154.6° | 60.0° |
| H5 | C13 | C14 | H24 | 85.9° | 180.0° |
| H6 | C13 | C14 | H23 | 85.5° | 180.0° |
| H6 | C13 | C14 | H24 | 34.0° | 60.0° |
| H7 | C15 | C14 | H23 | 174.3° | 179.9° |
| H7 | C15 | C14 | H24 | 54.8° | 60.0° |
| H7 | C15 | N5 | H32 | 137.4° | 120.0° |
| H8 | C15 | C14 | H23 | 65.9° | 60.0° |
| H8 | C15 | C14 | H24 | 174.6° | 179.9° |
| H8 | C15 | N5 | H32 | 17.6° | 119.9° |
| H9 | C17 | C18 | H25 | 76.6° | 175.0° |
| H9 | C17 | C18 | H26 | 164.3° | 65.0° |
| H9 | C17 | N7 | H36 | 59.8° | 56.0° |
| H9 | C17 | N7 | H37 | 60.2° | 180.0° |
| H10 | C20 | C21 | H12 | 128.1° | 59.9° |
| H10 | C20 | C21 | H13 | 112.2° | 180.0° |
| H10 | C20 | C19 | H27 | 82.8° | 180.0° |
| H10 | C20 | C19 | H28 | 157.6° | 60.0° |
| H11 | C20 | C21 | H12 | 8.9° | 180.0° |
| H11 | C20 | C21 | H13 | 128.6° | 60.0° |
| H11 | C20 | C19 | H27 | 36.4° | 60.0° |
| H11 | C20 | C19 | H28 | 83.1° | 180.0° |
| H12 | C21 | N6 | H33 | 59.9° | 60.1° |
| H12 | C21 | N6 | H34 | 179.9° | 176.0° |
| H13 | C21 | N6 | H33 | 59.8° | 60.0° |
| H13 | C21 | N6 | H34 | 60.2° | 64.0° |
| H15 | C24 | H16 | H17 | 120.0° | 119.9° |
| H18 | C26 | C25 | H29 | 0.1° | 0.0° |
| H19 | C1 | H20 | H21 | 120.0° | 120.0° |
| H25 | C18 | C19 | H27 | 164.3° | 60.0° |
| H25 | C18 | C19 | H28 | 76.1° | 180.0° |
| H26 | C18 | C19 | H27 | 45.1° | 180.0° |
| H26 | C18 | C19 | H28 | 164.7° | 60.0° |
