K87
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | O4 | sing | 1.43Å | 1.44Å | |
| C17 | C20 | sing | 1.53Å | 1.50Å | |
| O4 | C9 | sing | 1.36Å | 1.38Å | |
| C20 | C25 | sing | 1.51Å | 1.51Å | |
| C12 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O3 | sing | 1.36Å | 1.43Å | |
| C24 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C28 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | O5 | sing | 1.36Å | 1.44Å | |
| N3 | C9 | doub | 1.33Å | 1.33Å | Aromatic |
| N3 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.33Å | Aromatic |
| C28 | C23 | doub | 1.39Å | 1.37Å | Aromatic |
| C9 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C10 | sing | 1.48Å | 1.49Å | |
| C13 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C23 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | N2 | doub | 1.33Å | 1.33Å | Aromatic |
| C7 | O3 | sing | 1.36Å | 1.43Å | |
| C7 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| O1 | S1 | doub | 1.42Å | 1.44Å | |
| N2 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | N6 | sing | 1.35Å | 1.34Å | |
| C25 | O6 | doub | 1.21Å | 1.22Å | |
| C4 | N1 | sing | 1.39Å | 1.32Å | |
| O5 | C27 | sing | 1.43Å | 1.43Å | |
| N6 | C29 | sing | 1.40Å | 1.46Å | |
| C35 | C31 | sing | 1.51Å | 1.50Å | |
| N1 | S1 | sing | 1.66Å | 1.63Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | C1 | sing | 1.76Å | 1.76Å | |
| C29 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C30 | sing | 1.51Å | 1.50Å | |
| C6 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C11 | sing | 1.51Å | 1.53Å | |
| C15 | C11 | sing | 1.53Å | 1.53Å | |
| C32 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N6 | H29 | sing | 0.97Å | 1.00Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.09Å | 1.10Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H36 | sing | 1.09Å | 1.10Å | |
| C35 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C22 | C19 | 120.1° | 120.2° |
| C22 | C26 | C21 | 120.2° | 120.2° |
| C26 | C22 | H21 | 119.9° | 119.9° |
| C22 | C26 | H24 | 119.9° | 119.9° |
| C22 | C19 | C12 | 119.7° | 120.0° |
| C22 | C19 | H17 | 120.1° | 120.0° |
| C19 | C22 | H21 | 120.0° | 119.9° |
| C26 | C21 | C18 | 120.3° | 120.0° |
| C26 | C21 | H20 | 119.9° | 120.0° |
| C21 | C26 | H24 | 119.9° | 120.0° |
| C19 | C12 | C18 | 120.8° | 119.9° |
| C19 | C12 | O3 | 121.1° | 120.1° |
| C12 | C19 | H17 | 120.1° | 120.0° |
| C21 | C18 | C12 | 118.9° | 119.9° |
| C21 | C18 | O5 | 125.4° | 120.0° |
| C18 | C21 | H20 | 119.9° | 120.0° |
| O4 | C17 | C20 | 107.0° | 109.5° |
| C17 | O4 | C9 | 116.5° | 117.0° |
| O4 | C17 | H15 | 110.0° | 109.5° |
| O4 | C17 | H16 | 110.1° | 109.5° |
| C17 | C20 | C25 | 113.3° | 109.4° |
| C20 | C17 | H15 | 110.1° | 109.4° |
| C20 | C17 | H16 | 110.1° | 109.5° |
| C17 | C20 | H18 | 108.5° | 109.5° |
| C17 | C20 | H19 | 108.5° | 109.5° |
| O4 | C9 | N3 | 116.7° | 120.4° |
| O4 | C9 | C7 | 120.7° | 120.4° |
| C20 | C25 | N6 | 115.9° | 120.0° |
| C20 | C25 | O6 | 121.7° | 120.0° |
| C25 | C20 | H18 | 108.5° | 109.5° |
| C25 | C20 | H19 | 108.5° | 109.4° |
| C18 | C12 | O3 | 118.1° | 120.1° |
| C12 | C18 | O5 | 115.7° | 120.1° |
| C12 | O3 | C7 | 121.6° | 118.0° |
| N5 | C24 | C28 | 122.5° | 119.1° |
| C24 | N5 | C13 | 116.3° | 120.8° |
| N5 | C24 | H23 | 118.8° | 120.5° |
| C24 | C28 | C23 | 116.6° | 118.6° |
| C28 | C24 | H23 | 118.7° | 120.4° |
| C24 | C28 | H28 | 121.7° | 120.7° |
| C18 | O5 | C27 | 117.2° | 117.0° |
| C9 | N3 | C10 | 117.0° | 120.9° |
| N3 | C9 | C7 | 122.5° | 119.1° |
| N3 | C10 | C13 | 117.3° | 119.1° |
| N3 | C10 | N2 | 125.3° | 121.8° |
| N5 | C13 | C10 | 117.0° | 119.2° |
| N5 | C13 | N4 | 125.8° | 121.5° |
| C28 | C23 | N4 | 122.4° | 119.2° |
| C28 | C23 | H22 | 118.8° | 120.4° |
| C23 | C28 | H28 | 121.7° | 120.7° |
| C9 | C7 | O3 | 122.8° | 120.8° |
| C9 | C7 | C4 | 116.5° | 118.3° |
| C10 | C13 | N4 | 117.2° | 119.2° |
| C13 | C10 | N2 | 117.4° | 119.1° |
| C13 | N4 | C23 | 116.3° | 120.8° |
| N4 | C23 | H22 | 118.8° | 120.4° |
| C10 | N2 | C4 | 118.3° | 120.8° |
| O3 | C7 | C4 | 120.7° | 120.9° |
| C7 | C4 | N2 | 120.4° | 119.1° |
| C7 | C4 | N1 | 121.4° | 120.4° |
| O1 | S1 | N1 | 105.1° | 106.4° |
| O1 | S1 | O2 | 119.4° | 123.1° |
| O1 | S1 | C1 | 108.3° | 106.4° |
| N2 | C4 | N1 | 118.2° | 120.5° |
| N6 | C25 | O6 | 122.4° | 120.0° |
| C25 | N6 | C29 | 125.4° | 120.0° |
| C25 | N6 | H29 | 117.3° | 120.0° |
| C4 | N1 | S1 | 124.7° | 120.0° |
| C4 | N1 | H1 | 105.5° | 120.1° |
| O5 | C27 | H25 | 109.5° | 109.5° |
| O5 | C27 | H26 | 109.4° | 109.5° |
| O5 | C27 | H27 | 109.4° | 109.5° |
| N6 | C29 | C31 | 119.4° | 120.0° |
| N6 | C29 | C30 | 118.8° | 120.1° |
| C29 | N6 | H29 | 117.3° | 120.0° |
| C35 | C31 | C29 | 122.1° | 120.0° |
| C35 | C31 | C34 | 120.0° | 120.1° |
| C31 | C35 | H35 | 109.5° | 109.5° |
| C31 | C35 | H36 | 109.5° | 109.5° |
| C31 | C35 | H37 | 109.5° | 109.5° |
| N1 | S1 | O2 | 108.1° | 106.4° |
| N1 | S1 | C1 | 106.9° | 107.2° |
| S1 | N1 | H1 | 105.5° | 120.0° |
| O2 | S1 | C1 | 108.4° | 106.4° |
| S1 | C1 | C3 | 119.9° | 120.0° |
| S1 | C1 | C2 | 120.0° | 120.0° |
| C31 | C29 | C30 | 121.9° | 119.9° |
| C29 | C31 | C34 | 117.9° | 119.9° |
| C29 | C30 | C33 | 121.7° | 120.1° |
| C29 | C30 | C32 | 118.1° | 119.9° |
| C31 | C34 | C36 | 121.0° | 120.1° |
| C31 | C34 | H34 | 119.5° | 119.9° |
| C1 | C3 | C6 | 119.9° | 120.0° |
| C3 | C1 | C2 | 120.1° | 120.0° |
| C1 | C3 | H3 | 120.0° | 119.9° |
| C3 | C6 | C8 | 121.1° | 120.0° |
| C6 | C3 | H3 | 120.1° | 120.0° |
| C3 | C6 | H5 | 119.5° | 120.0° |
| C1 | C2 | C5 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C33 | C30 | C32 | 120.2° | 120.0° |
| C30 | C33 | H31 | 109.5° | 109.4° |
| C30 | C33 | H32 | 109.5° | 109.5° |
| C30 | C33 | H33 | 109.5° | 109.5° |
| C6 | C8 | C5 | 118.0° | 120.0° |
| C6 | C8 | C11 | 121.0° | 120.0° |
| C8 | C6 | H5 | 119.4° | 120.0° |
| C30 | C32 | C36 | 120.9° | 120.0° |
| C30 | C32 | H30 | 119.5° | 120.0° |
| C34 | C36 | C32 | 120.2° | 120.2° |
| C36 | C34 | H34 | 119.5° | 120.0° |
| C34 | C36 | H38 | 119.9° | 119.9° |
| C2 | C5 | C8 | 121.1° | 120.0° |
| C5 | C2 | H2 | 120.1° | 120.0° |
| C2 | C5 | H4 | 119.5° | 120.0° |
| C5 | C8 | C11 | 121.0° | 120.0° |
| C8 | C5 | H4 | 119.5° | 120.0° |
| C8 | C11 | C15 | 110.3° | 109.5° |
| C8 | C11 | C14 | 110.7° | 109.5° |
| C8 | C11 | C16 | 110.9° | 109.4° |
| C15 | C11 | C14 | 108.3° | 109.5° |
| C15 | C11 | C16 | 108.3° | 109.5° |
| C11 | C15 | H9 | 109.5° | 109.5° |
| C11 | C15 | H10 | 109.5° | 109.5° |
| C11 | C15 | H11 | 109.4° | 109.4° |
| C36 | C32 | H30 | 119.6° | 120.0° |
| C32 | C36 | H38 | 119.9° | 119.9° |
| C14 | C11 | C16 | 108.4° | 109.5° |
| C11 | C14 | H6 | 109.5° | 109.5° |
| C11 | C14 | H7 | 109.4° | 109.4° |
| C11 | C14 | H8 | 109.5° | 109.5° |
| C11 | C16 | H12 | 109.5° | 109.5° |
| C11 | C16 | H13 | 109.5° | 109.4° |
| C11 | C16 | H14 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H8 | 109.4° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H9 | C15 | H10 | 109.5° | 109.5° |
| H9 | C15 | H11 | 109.4° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H12 | C16 | H14 | 109.4° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H25 | C27 | H27 | 109.5° | 109.4° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H31 | C33 | H32 | 109.5° | 109.5° |
| H31 | C33 | H33 | 109.5° | 109.4° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H35 | C35 | H36 | 109.4° | 109.4° |
| H35 | C35 | H37 | 109.5° | 109.5° |
| H36 | C35 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C22 | C19 | H21 | 180.0° | 179.2° |
| C22 | C26 | C21 | H24 | 180.0° | 179.2° |
| C26 | C22 | C19 | C12 | 0.4° | 0.6° |
| C22 | C26 | C21 | C18 | 0.2° | 0.5° |
| C26 | C22 | C19 | H17 | 179.6° | 179.5° |
| C22 | C26 | C21 | H20 | 179.8° | 179.4° |
| C19 | C22 | C26 | C21 | 0.2° | 0.8° |
| C22 | C19 | C12 | H17 | 180.0° | 180.0° |
| C22 | C19 | C12 | C18 | 0.2° | 0.0° |
| C22 | C19 | C12 | O3 | 179.8° | 179.8° |
| C19 | C22 | C26 | H24 | 179.9° | 180.0° |
| C26 | C21 | C18 | H20 | 180.0° | 180.0° |
| C26 | C21 | C18 | C12 | 0.4° | 0.0° |
| C26 | C21 | C18 | O5 | 179.8° | 180.0° |
| C21 | C26 | C22 | H21 | 179.8° | 180.0° |
| C19 | C12 | C18 | C21 | 0.2° | 0.2° |
| C19 | C12 | C18 | O3 | 180.0° | 179.8° |
| C19 | C12 | C18 | O5 | 179.6° | 179.7° |
| C19 | C12 | O3 | C7 | 13.7° | 0.2° |
| C12 | C19 | C22 | H21 | 179.6° | 179.7° |
| C21 | C18 | C12 | O5 | 179.4° | 180.0° |
| C21 | C18 | C12 | O3 | 179.8° | 180.0° |
| C21 | C18 | O5 | C27 | 2.6° | 0.0° |
| C18 | C21 | C26 | H24 | 179.8° | 179.8° |
| O4 | C17 | C20 | H15 | 119.6° | 120.0° |
| O4 | C17 | C20 | H16 | 119.6° | 120.0° |
| O4 | C17 | C20 | C25 | 77.5° | 180.0° |
| C17 | O4 | C9 | N3 | 6.2° | 0.0° |
| C17 | O4 | C9 | C7 | 174.0° | 180.0° |
| O4 | C17 | H15 | H16 | 121.1° | 120.0° |
| O4 | C17 | C20 | H18 | 161.9° | 60.0° |
| O4 | C17 | C20 | H19 | 43.1° | 60.0° |
| C20 | C17 | O4 | C9 | 126.9° | 180.0° |
| C17 | C20 | C25 | H18 | 120.6° | 120.0° |
| C17 | C20 | C25 | H19 | 120.6° | 120.0° |
| C17 | C20 | C25 | N6 | 9.3° | 180.0° |
| C17 | C20 | C25 | O6 | 171.2° | 0.0° |
| C20 | C17 | H15 | H16 | 121.2° | 120.0° |
| C17 | C20 | H18 | H19 | 118.3° | 120.1° |
| O4 | C9 | N3 | C7 | 179.8° | 180.0° |
| O4 | C9 | N3 | C10 | 179.4° | 179.8° |
| O4 | C9 | C7 | O3 | 0.6° | 0.0° |
| O4 | C9 | C7 | C4 | 179.9° | 180.0° |
| C9 | O4 | C17 | H15 | 7.3° | 60.0° |
| C9 | O4 | C17 | H16 | 113.5° | 60.0° |
| C20 | C25 | N6 | O6 | 179.5° | 179.9° |
| C20 | C25 | N6 | C29 | 173.8° | 176.2° |
| C25 | C20 | C17 | H15 | 42.1° | 60.0° |
| C25 | C20 | C17 | H16 | 162.9° | 60.0° |
| C25 | C20 | H18 | H19 | 118.2° | 120.0° |
| C20 | C25 | N6 | H29 | 6.2° | 3.7° |
| C18 | C12 | O3 | C7 | 166.3° | 180.0° |
| C12 | C18 | O5 | C27 | 176.8° | 180.0° |
| C18 | C12 | C19 | H17 | 179.8° | 180.0° |
| C12 | C18 | C21 | H20 | 179.6° | 180.0° |
| O3 | C12 | C18 | O5 | 0.4° | 0.0° |
| C12 | O3 | C7 | C9 | 83.3° | 90.1° |
| C12 | O3 | C7 | C4 | 97.4° | 90.0° |
| O3 | C12 | C19 | H17 | 0.2° | 0.2° |
| N5 | C24 | C28 | H23 | 180.0° | 180.0° |
| N5 | C24 | C28 | C23 | 0.6° | 0.3° |
| C24 | N5 | C13 | C10 | 178.5° | 180.0° |
| C24 | N5 | C13 | N4 | 0.9° | 0.2° |
| N5 | C24 | C28 | H28 | 179.4° | 180.0° |
| C28 | C24 | N5 | C13 | 0.3° | 0.0° |
| C24 | C28 | C23 | H28 | 180.0° | 179.7° |
| C24 | C28 | C23 | N4 | 0.1° | 0.2° |
| C24 | C28 | C23 | H22 | 179.8° | 179.8° |
| O5 | C18 | C21 | H20 | 0.2° | 0.0° |
| C18 | O5 | C27 | H25 | 180.0° | 180.0° |
| C18 | O5 | C27 | H26 | 60.0° | 60.0° |
| C18 | O5 | C27 | H27 | 60.0° | 60.0° |
| C9 | N3 | C10 | C13 | 178.8° | 179.7° |
| C9 | N3 | C10 | N2 | 0.9° | 0.2° |
| N3 | C9 | C7 | O3 | 179.2° | 180.0° |
| N3 | C9 | C7 | C4 | 0.2° | 0.0° |
| N3 | C10 | C13 | N5 | 13.9° | 179.7° |
| C10 | N3 | C9 | C7 | 0.9° | 0.2° |
| N3 | C10 | C13 | N2 | 178.1° | 180.0° |
| N3 | C10 | C13 | N4 | 168.2° | 0.0° |
| N3 | C10 | N2 | C4 | 0.1° | 0.0° |
| N5 | C13 | C10 | N4 | 177.9° | 179.8° |
| N5 | C13 | N4 | C23 | 1.5° | 0.3° |
| N5 | C13 | C10 | N2 | 164.2° | 0.2° |
| C13 | N5 | C24 | H23 | 179.7° | 179.9° |
| C28 | C23 | N4 | C13 | 1.1° | 0.0° |
| C28 | C23 | N4 | H22 | 180.0° | 180.0° |
| C23 | C28 | C24 | H23 | 179.4° | 179.7° |
| C9 | C7 | O3 | C4 | 179.3° | 180.0° |
| C9 | C7 | C4 | N2 | 0.6° | 0.3° |
| C9 | C7 | C4 | N1 | 179.3° | 180.0° |
| C10 | C13 | N4 | C23 | 179.2° | 180.0° |
| C13 | C10 | N2 | C4 | 178.0° | 180.0° |
| N4 | C13 | C10 | N2 | 13.7° | 180.0° |
| C13 | N4 | C23 | H22 | 178.9° | 180.0° |
| N4 | C23 | C28 | H28 | 179.9° | 180.0° |
| C10 | N2 | C4 | C7 | 0.7° | 0.3° |
| C10 | N2 | C4 | N1 | 179.3° | 180.0° |
| O3 | C7 | C4 | N2 | 180.0° | 179.8° |
| O3 | C7 | C4 | N1 | 0.1° | 0.1° |
| C7 | C4 | N2 | N1 | 179.9° | 179.7° |
| C7 | C4 | N1 | S1 | 173.7° | 180.0° |
| C7 | C4 | N1 | H1 | 64.2° | 0.1° |
| O1 | S1 | N1 | C4 | 65.6° | 48.5° |
| O1 | S1 | N1 | O2 | 128.6° | 132.9° |
| O1 | S1 | N1 | C1 | 115.0° | 113.6° |
| O1 | S1 | O2 | C1 | 124.5° | 123.0° |
| O1 | S1 | C1 | C3 | 23.7° | 23.2° |
| O1 | S1 | C1 | C2 | 154.2° | 156.4° |
| O1 | S1 | N1 | H1 | 172.4° | 131.4° |
| N2 | C4 | N1 | S1 | 6.4° | 0.3° |
| N2 | C4 | N1 | H1 | 115.7° | 179.8° |
| C25 | N6 | C29 | H29 | 180.0° | 179.9° |
| C25 | N6 | C29 | C31 | 61.3° | 127.2° |
| C25 | N6 | C29 | C30 | 117.4° | 52.5° |
| N6 | C25 | C20 | H18 | 111.2° | 59.9° |
| N6 | C25 | C20 | H19 | 129.9° | 60.0° |
| O6 | C25 | N6 | C29 | 5.7° | 3.9° |
| O6 | C25 | C20 | H18 | 68.3° | 120.0° |
| O6 | C25 | C20 | H19 | 50.6° | 120.1° |
| O6 | C25 | N6 | H29 | 174.3° | 176.2° |
| C4 | N1 | S1 | H1 | 122.0° | 179.9° |
| C4 | N1 | S1 | O2 | 165.8° | 178.6° |
| C4 | N1 | S1 | C1 | 49.4° | 65.0° |
| O5 | C27 | H25 | H26 | 120.0° | 120.0° |
| O5 | C27 | H25 | H27 | 120.0° | 120.0° |
| O5 | C27 | H26 | H27 | 119.9° | 120.0° |
| N6 | C29 | C31 | C35 | 1.9° | 0.0° |
| N6 | C29 | C31 | C30 | 178.6° | 179.7° |
| N6 | C29 | C31 | C34 | 179.2° | 180.0° |
| N6 | C29 | C30 | C33 | 0.8° | 0.1° |
| N6 | C29 | C30 | C32 | 178.8° | 180.0° |
| C35 | C31 | C29 | C34 | 178.9° | 180.0° |
| C35 | C31 | C29 | C30 | 179.5° | 179.7° |
| C35 | C31 | C34 | C36 | 179.5° | 180.0° |
| C35 | C31 | C34 | H34 | 0.5° | 0.0° |
| C31 | C35 | H35 | H36 | 120.0° | 120.0° |
| C31 | C35 | H35 | H37 | 120.0° | 120.1° |
| C31 | C35 | H36 | H37 | 120.0° | 120.0° |
| N1 | S1 | O2 | C1 | 115.6° | 114.1° |
| N1 | S1 | C1 | C3 | 136.6° | 90.3° |
| N1 | S1 | C1 | C2 | 41.4° | 90.0° |
| O2 | S1 | C1 | C3 | 107.1° | 156.1° |
| O2 | S1 | C1 | C2 | 74.9° | 23.5° |
| O2 | S1 | N1 | H1 | 43.8° | 1.5° |
| S1 | C1 | C3 | C2 | 178.0° | 179.6° |
| S1 | C1 | C3 | C6 | 178.5° | 180.0° |
| S1 | C1 | C2 | C5 | 179.3° | 180.0° |
| C1 | S1 | N1 | H1 | 72.7° | 115.0° |
| S1 | C1 | C2 | H2 | 0.7° | 0.1° |
| S1 | C1 | C3 | H3 | 1.6° | 0.0° |
| C31 | C29 | C30 | C33 | 179.4° | 179.8° |
| C31 | C29 | C30 | C32 | 0.2° | 0.3° |
| C29 | C31 | C34 | C36 | 0.6° | 0.0° |
| C31 | C29 | N6 | H29 | 118.8° | 52.9° |
| C29 | C31 | C34 | H34 | 179.4° | 179.9° |
| C29 | C31 | C35 | H35 | 90.6° | 90.0° |
| C29 | C31 | C35 | H36 | 149.4° | 150.0° |
| C29 | C31 | C35 | H37 | 29.4° | 30.1° |
| C30 | C29 | C31 | C34 | 0.6° | 0.3° |
| C29 | C30 | C33 | C32 | 179.5° | 180.0° |
| C29 | C30 | C32 | C36 | 0.3° | 0.0° |
| C30 | C29 | N6 | H29 | 62.6° | 127.4° |
| C29 | C30 | C32 | H30 | 179.7° | 180.0° |
| C29 | C30 | C33 | H31 | 90.2° | 97.8° |
| C29 | C30 | C33 | H32 | 149.8° | 142.2° |
| C29 | C30 | C33 | H33 | 29.8° | 22.1° |
| C31 | C34 | C36 | H34 | 180.0° | 179.9° |
| C31 | C34 | C36 | C32 | 0.1° | 0.3° |
| C34 | C31 | C35 | H35 | 90.5° | 90.0° |
| C34 | C31 | C35 | H36 | 29.5° | 30.0° |
| C34 | C31 | C35 | H37 | 149.5° | 150.0° |
| C31 | C34 | C36 | H38 | 179.9° | 180.0° |
| C1 | C3 | C6 | H3 | 180.0° | 180.0° |
| C1 | C3 | C6 | C8 | 0.5° | 0.0° |
| C3 | C1 | C2 | C5 | 1.3° | 0.3° |
| C3 | C1 | C2 | H2 | 178.7° | 179.7° |
| C1 | C3 | C6 | H5 | 179.5° | 180.0° |
| C6 | C3 | C1 | C2 | 0.5° | 0.3° |
| C3 | C6 | C8 | H5 | 180.0° | 179.9° |
| C3 | C6 | C8 | C5 | 0.7° | 0.3° |
| C3 | C6 | C8 | C11 | 179.8° | 180.0° |
| C1 | C2 | C5 | H2 | 180.0° | 179.9° |
| C1 | C2 | C5 | C8 | 1.2° | 0.0° |
| C2 | C1 | C3 | H3 | 179.5° | 179.7° |
| C1 | C2 | C5 | H4 | 178.8° | 179.9° |
| C33 | C30 | C32 | C36 | 179.9° | 179.9° |
| C33 | C30 | C32 | H30 | 0.1° | 0.0° |
| C30 | C33 | H31 | H32 | 120.0° | 120.0° |
| C30 | C33 | H31 | H33 | 120.0° | 119.9° |
| C30 | C33 | H32 | H33 | 120.0° | 120.0° |
| C6 | C8 | C5 | C2 | 0.2° | 0.3° |
| C6 | C8 | C5 | C11 | 179.5° | 179.6° |
| C6 | C8 | C11 | C15 | 96.4° | 59.9° |
| C6 | C8 | C11 | C14 | 23.4° | 180.0° |
| C6 | C8 | C11 | C16 | 143.7° | 60.1° |
| C8 | C6 | C3 | H3 | 179.5° | 180.0° |
| C6 | C8 | C5 | H4 | 179.9° | 179.7° |
| C30 | C32 | C36 | C34 | 0.4° | 0.3° |
| C30 | C32 | C36 | H30 | 180.0° | 179.9° |
| C32 | C30 | C33 | H31 | 90.2° | 82.3° |
| C32 | C30 | C33 | H32 | 29.8° | 37.8° |
| C32 | C30 | C33 | H33 | 149.8° | 157.8° |
| C30 | C32 | C36 | H38 | 179.6° | 180.0° |
| C34 | C36 | C32 | H38 | 180.0° | 179.7° |
| C34 | C36 | C32 | H30 | 179.6° | 179.8° |
| C2 | C5 | C8 | H4 | 180.0° | 179.9° |
| C2 | C5 | C8 | C11 | 179.3° | 180.0° |
| C5 | C8 | C11 | C15 | 83.1° | 119.7° |
| C5 | C8 | C11 | C14 | 157.1° | 0.3° |
| C5 | C8 | C11 | C16 | 36.8° | 120.3° |
| C8 | C5 | C2 | H2 | 178.8° | 179.9° |
| C5 | C8 | C6 | H5 | 179.3° | 179.7° |
| C8 | C11 | C15 | C14 | 121.2° | 120.0° |
| C8 | C11 | C15 | C16 | 121.4° | 120.0° |
| C8 | C11 | C14 | C16 | 121.8° | 119.9° |
| C11 | C8 | C5 | H4 | 0.6° | 0.1° |
| C11 | C8 | C6 | H5 | 0.2° | 0.1° |
| C8 | C11 | C14 | H6 | 180.0° | 60.0° |
| C8 | C11 | C14 | H7 | 60.0° | 180.0° |
| C8 | C11 | C14 | H8 | 60.0° | 60.0° |
| C8 | C11 | C15 | H9 | 180.0° | 59.9° |
| C8 | C11 | C15 | H10 | 60.0° | 180.0° |
| C8 | C11 | C15 | H11 | 60.0° | 60.1° |
| C8 | C11 | C16 | H12 | 180.0° | 60.0° |
| C8 | C11 | C16 | H13 | 60.0° | 180.0° |
| C8 | C11 | C16 | H14 | 60.0° | 60.0° |
| C15 | C11 | C14 | C16 | 117.2° | 120.0° |
| C15 | C11 | C14 | H6 | 59.0° | 60.0° |
| C15 | C11 | C14 | H7 | 179.0° | 60.0° |
| C15 | C11 | C14 | H8 | 60.9° | 180.0° |
| C11 | C15 | H9 | H10 | 120.0° | 120.0° |
| C11 | C15 | H9 | H11 | 120.0° | 120.0° |
| C11 | C15 | H10 | H11 | 120.0° | 119.9° |
| C15 | C11 | C16 | H12 | 59.0° | 180.0° |
| C15 | C11 | C16 | H13 | 61.1° | 60.0° |
| C15 | C11 | C16 | H14 | 178.9° | 60.0° |
| C32 | C36 | C34 | H34 | 179.9° | 179.8° |
| C11 | C14 | H6 | H7 | 120.0° | 119.9° |
| C11 | C14 | H6 | H8 | 120.0° | 120.0° |
| C11 | C14 | H7 | H8 | 120.0° | 120.0° |
| C14 | C11 | C15 | H9 | 58.8° | 179.9° |
| C14 | C11 | C15 | H10 | 61.2° | 60.0° |
| C14 | C11 | C15 | H11 | 178.8° | 59.9° |
| C14 | C11 | C16 | H12 | 58.3° | 59.9° |
| C14 | C11 | C16 | H13 | 178.3° | 60.1° |
| C14 | C11 | C16 | H14 | 61.7° | 180.0° |
| C16 | C11 | C14 | H6 | 58.2° | 180.0° |
| C16 | C11 | C14 | H7 | 61.8° | 60.0° |
| C16 | C11 | C14 | H8 | 178.2° | 60.0° |
| C16 | C11 | C15 | H9 | 58.5° | 60.0° |
| C16 | C11 | C15 | H10 | 178.6° | 60.0° |
| C16 | C11 | C15 | H11 | 61.4° | 180.0° |
| C11 | C16 | H12 | H13 | 120.0° | 120.0° |
| C11 | C16 | H12 | H14 | 120.0° | 120.0° |
| C11 | C16 | H13 | H14 | 120.0° | 119.9° |
| H2 | C2 | C5 | H4 | 1.1° | 0.0° |
| H3 | C3 | C6 | H5 | 0.5° | 0.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.0° |
| H9 | C15 | H10 | H11 | 120.0° | 120.0° |
| H12 | C16 | H13 | H14 | 120.0° | 120.0° |
| H15 | C17 | C20 | H18 | 78.5° | 180.0° |
| H15 | C17 | C20 | H19 | 162.7° | 60.0° |
| H16 | C17 | C20 | H18 | 42.3° | 60.0° |
| H16 | C17 | C20 | H19 | 76.5° | 180.0° |
| H17 | C19 | C22 | H21 | 0.4° | 0.3° |
| H20 | C21 | C26 | H24 | 0.2° | 0.2° |
| H21 | C22 | C26 | H24 | 0.2° | 0.8° |
| H22 | C23 | C28 | H28 | 0.1° | 0.0° |
| H23 | C24 | C28 | H28 | 0.6° | 0.0° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
| H30 | C32 | C36 | H38 | 0.4° | 0.1° |
| H31 | C33 | H32 | H33 | 120.0° | 120.0° |
| H34 | C34 | C36 | H38 | 0.1° | 0.1° |
| H35 | C35 | H36 | H37 | 119.9° | 120.0° |
