8ES
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C31 | doub | 1.38Å | 1.54Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.32Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.32Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.54Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C30 | C35 | doub | 1.38Å | 1.54Å | Aromatic |
| C6 | N1 | sing | 1.47Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| O | C5 | doub | 1.22Å | 1.41Å | |
| C29 | N6 | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.35Å | 1.39Å | |
| N1 | C2 | sing | 1.36Å | 1.43Å | |
| C5 | C | sing | 1.47Å | 1.49Å | |
| C8 | C7 | doub | 1.38Å | 1.32Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.53Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.32Å | Aromatic |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | N | doub | 1.30Å | 1.36Å | |
| C | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C19 | sing | 1.38Å | 1.54Å | Aromatic |
| N | C1 | sing | 1.36Å | 1.41Å | |
| C1 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | N6 | sing | 1.40Å | 1.46Å | |
| C22 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| N6 | C24 | sing | 1.35Å | 1.47Å | |
| C9 | C10 | doub | 1.39Å | 1.32Å | Aromatic |
| C20 | C21 | sing | 1.37Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.33Å | Aromatic |
| C24 | O1 | doub | 1.22Å | 1.19Å | |
| C24 | C25 | sing | 1.47Å | 1.54Å | |
| C10 | C18 | sing | 1.39Å | 1.54Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.53Å | |
| N5 | N4 | doub | 1.29Å | 1.36Å | Aromatic |
| N5 | C13 | sing | 1.34Å | 1.42Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.37Å | Aromatic |
| C11 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.37Å | 1.44Å | Aromatic |
| C25 | S | sing | 1.76Å | 1.72Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.52Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.53Å | |
| C13 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C12 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| S | C28 | sing | 1.71Å | 1.72Å | Aromatic |
| C27 | C28 | doub | 1.34Å | 1.43Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C27 | H14 | sing | 1.08Å | 1.08Å | |
| C29 | H15 | sing | 1.09Å | 1.10Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C33 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C31 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C9 | H27 | sing | 1.08Å | 1.08Å | |
| C16 | H28 | sing | 1.08Å | 1.08Å | |
| C14 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C32 | C33 | 119.8° | 120.0° |
| C32 | C31 | C30 | 120.0° | 120.1° |
| C31 | C32 | H20 | 120.1° | 120.0° |
| C32 | C31 | H21 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.1° | 120.0° |
| C32 | C33 | H19 | 119.9° | 120.0° |
| C33 | C32 | H20 | 120.1° | 120.0° |
| C31 | C30 | C29 | 119.9° | 120.1° |
| C31 | C30 | C35 | 120.2° | 119.9° |
| C30 | C31 | H21 | 120.0° | 119.9° |
| C33 | C34 | C35 | 120.1° | 120.0° |
| C33 | C34 | H18 | 120.0° | 120.0° |
| C34 | C33 | H19 | 119.9° | 120.1° |
| C4 | C3 | C2 | 110.9° | 109.5° |
| C3 | C4 | H2 | 109.5° | 109.5° |
| C3 | C4 | H3 | 109.5° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C4 | C3 | H23 | 109.1° | 109.5° |
| C4 | C3 | H24 | 109.1° | 109.5° |
| C29 | C30 | C35 | 119.9° | 120.0° |
| C30 | C29 | N6 | 110.3° | 109.5° |
| C30 | C29 | H15 | 109.3° | 109.4° |
| C30 | C29 | H16 | 109.3° | 109.5° |
| C30 | C35 | C34 | 119.8° | 120.0° |
| C30 | C35 | H17 | 120.1° | 120.0° |
| N1 | C6 | C7 | 110.8° | 109.5° |
| C6 | N1 | C5 | 120.1° | 119.7° |
| C6 | N1 | C2 | 121.1° | 119.7° |
| N1 | C6 | H5 | 109.1° | 109.4° |
| N1 | C6 | H6 | 109.1° | 109.5° |
| C6 | C7 | C8 | 118.3° | 119.8° |
| C6 | C7 | C19 | 121.9° | 119.9° |
| C7 | C6 | H5 | 109.1° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.5° |
| O | C5 | N1 | 121.7° | 121.3° |
| O | C5 | C | 118.7° | 121.3° |
| C29 | N6 | C22 | 118.5° | 120.0° |
| C29 | N6 | C24 | 120.4° | 120.0° |
| N6 | C29 | H15 | 109.3° | 109.5° |
| N6 | C29 | H16 | 109.2° | 109.5° |
| C5 | N1 | C2 | 118.8° | 120.6° |
| N1 | C5 | C | 119.5° | 117.4° |
| N1 | C2 | C3 | 121.5° | 118.3° |
| N1 | C2 | N | 123.0° | 123.4° |
| C5 | C | C23 | 121.5° | 121.9° |
| C5 | C | C1 | 117.8° | 118.0° |
| C7 | C8 | C9 | 120.1° | 120.1° |
| C8 | C7 | C19 | 119.9° | 120.3° |
| C7 | C8 | H7 | 120.0° | 120.0° |
| C8 | C9 | C10 | 120.5° | 119.8° |
| C9 | C8 | H7 | 119.9° | 119.9° |
| C8 | C9 | H27 | 119.7° | 120.1° |
| C34 | C35 | H17 | 120.1° | 120.0° |
| C35 | C34 | H18 | 119.9° | 120.0° |
| C3 | C2 | N | 115.5° | 118.3° |
| C2 | C3 | H23 | 109.1° | 109.4° |
| C2 | C3 | H24 | 109.1° | 109.5° |
| C2 | N | C1 | 119.7° | 121.6° |
| C23 | C | C1 | 120.7° | 120.1° |
| C | C23 | C22 | 121.0° | 119.3° |
| C | C23 | H22 | 119.5° | 120.3° |
| C | C1 | N | 121.2° | 119.0° |
| C | C1 | C20 | 119.9° | 119.4° |
| C23 | C22 | N6 | 121.0° | 119.8° |
| C23 | C22 | C21 | 117.9° | 120.4° |
| C22 | C23 | H22 | 119.5° | 120.4° |
| C7 | C19 | C18 | 120.1° | 120.1° |
| C7 | C19 | H25 | 120.0° | 119.9° |
| N | C1 | C20 | 118.9° | 121.6° |
| C1 | C20 | C21 | 119.1° | 119.9° |
| C1 | C20 | H10 | 120.5° | 120.0° |
| N6 | C22 | C21 | 121.0° | 119.8° |
| C22 | N6 | C24 | 121.1° | 120.0° |
| C22 | C21 | C20 | 121.4° | 120.9° |
| C22 | C21 | H11 | 119.3° | 119.6° |
| N6 | C24 | O1 | 119.7° | 120.0° |
| N6 | C24 | C25 | 123.5° | 120.0° |
| C9 | C10 | C18 | 119.7° | 119.8° |
| C9 | C10 | C11 | 118.9° | 120.1° |
| C10 | C9 | H27 | 119.7° | 120.1° |
| C21 | C20 | H10 | 120.5° | 120.1° |
| C20 | C21 | H11 | 119.3° | 119.5° |
| C19 | C18 | C10 | 119.8° | 119.8° |
| C18 | C19 | H25 | 120.0° | 119.9° |
| C19 | C18 | H26 | 120.1° | 120.1° |
| O1 | C24 | C25 | 116.9° | 120.0° |
| C24 | C25 | C26 | 127.0° | 125.4° |
| C24 | C25 | S | 123.1° | 125.5° |
| C18 | C10 | C11 | 121.5° | 120.1° |
| C10 | C18 | H26 | 120.1° | 120.1° |
| C10 | C11 | C17 | 119.1° | 120.2° |
| C10 | C11 | C12 | 121.6° | 120.2° |
| N4 | N5 | C13 | 110.7° | 107.3° |
| N5 | N4 | N3 | 104.8° | 109.0° |
| N5 | C13 | C12 | 127.0° | 126.7° |
| N5 | C13 | N2 | 106.7° | 106.6° |
| N4 | N3 | N2 | 110.9° | 109.3° |
| N4 | N3 | H1 | 124.5° | 125.4° |
| C17 | C11 | C12 | 119.3° | 119.6° |
| C11 | C17 | C16 | 120.5° | 120.0° |
| C11 | C17 | H9 | 119.8° | 120.0° |
| C11 | C12 | C13 | 122.0° | 120.2° |
| C11 | C12 | C14 | 119.9° | 119.6° |
| C17 | C16 | C15 | 120.1° | 120.4° |
| C16 | C17 | H9 | 119.8° | 120.0° |
| C17 | C16 | H28 | 120.0° | 119.8° |
| C26 | C25 | S | 109.8° | 109.1° |
| C25 | C26 | C27 | 112.0° | 113.3° |
| C25 | C26 | H12 | 124.0° | 123.3° |
| C25 | S | C28 | 96.8° | 91.6° |
| C26 | C27 | C28 | 110.8° | 115.1° |
| C27 | C26 | H12 | 124.0° | 123.4° |
| C26 | C27 | H14 | 124.6° | 122.4° |
| C12 | C13 | N2 | 126.3° | 126.7° |
| C13 | C12 | C14 | 118.1° | 120.2° |
| C13 | N2 | N3 | 106.9° | 107.8° |
| C12 | C14 | C15 | 120.3° | 120.0° |
| C12 | C14 | H29 | 119.8° | 120.0° |
| C16 | C15 | C14 | 120.0° | 120.3° |
| C16 | C15 | H8 | 120.0° | 119.8° |
| C15 | C16 | H28 | 120.0° | 119.8° |
| N2 | N3 | H1 | 124.5° | 125.3° |
| C14 | C15 | H8 | 120.0° | 119.9° |
| C15 | C14 | H29 | 119.9° | 119.9° |
| S | C28 | C27 | 110.6° | 111.0° |
| S | C28 | H13 | 124.7° | 124.5° |
| C27 | C28 | H13 | 124.7° | 124.5° |
| C28 | C27 | H14 | 124.6° | 122.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H2 | C4 | H4 | 109.4° | 109.4° |
| H3 | C4 | H4 | 109.5° | 109.4° |
| H5 | C6 | H6 | 109.5° | 109.5° |
| H15 | C29 | H16 | 109.4° | 109.5° |
| H23 | C3 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C32 | C33 | H20 | 180.0° | 179.4° |
| C32 | C31 | C30 | H21 | 180.0° | 179.5° |
| C31 | C32 | C33 | C34 | 0.5° | 0.3° |
| C32 | C31 | C30 | C29 | 180.0° | 179.7° |
| C32 | C31 | C30 | C35 | 0.6° | 0.6° |
| C31 | C32 | C33 | H19 | 179.5° | 179.7° |
| C33 | C32 | C31 | C30 | 0.6° | 0.6° |
| C32 | C33 | C34 | H19 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.5° | 0.0° |
| C32 | C33 | C34 | H18 | 179.5° | 180.0° |
| C33 | C32 | C31 | H21 | 179.4° | 180.0° |
| C31 | C30 | C29 | C35 | 179.4° | 179.8° |
| C31 | C30 | C29 | N6 | 120.7° | 90.2° |
| C31 | C30 | C35 | C34 | 0.6° | 0.3° |
| C31 | C30 | C29 | H15 | 0.5° | 149.8° |
| C31 | C30 | C29 | H16 | 119.2° | 29.8° |
| C31 | C30 | C35 | H17 | 179.5° | 179.7° |
| C30 | C31 | C32 | H20 | 179.4° | 180.0° |
| C33 | C34 | C35 | C30 | 0.5° | 0.0° |
| C33 | C34 | C35 | H18 | 180.0° | 180.0° |
| C33 | C34 | C35 | H17 | 179.6° | 180.0° |
| C34 | C33 | C32 | H20 | 179.5° | 179.7° |
| C4 | C3 | C2 | N1 | 93.3° | 179.5° |
| C4 | C3 | C2 | H23 | 120.2° | 120.0° |
| C4 | C3 | C2 | H24 | 120.2° | 120.1° |
| C4 | C3 | C2 | N | 88.2° | 0.5° |
| C3 | C4 | H2 | H3 | 120.0° | 120.1° |
| C3 | C4 | H2 | H4 | 120.0° | 120.0° |
| C3 | C4 | H3 | H4 | 120.0° | 120.0° |
| C4 | C3 | H23 | H24 | 119.3° | 120.0° |
| C30 | C29 | N6 | H15 | 120.2° | 120.0° |
| C30 | C29 | N6 | H16 | 120.1° | 120.0° |
| C29 | C30 | C35 | C34 | 179.9° | 179.9° |
| C30 | C29 | N6 | C22 | 69.2° | 90.0° |
| C30 | C29 | N6 | C24 | 111.4° | 90.0° |
| C30 | C29 | H15 | H16 | 119.6° | 120.0° |
| C29 | C30 | C35 | H17 | 0.1° | 0.0° |
| C29 | C30 | C31 | H21 | 0.0° | 0.2° |
| C35 | C30 | C29 | N6 | 58.7° | 90.0° |
| C30 | C35 | C34 | H17 | 180.0° | 180.0° |
| C35 | C30 | C29 | H15 | 178.9° | 30.0° |
| C35 | C30 | C29 | H16 | 61.4° | 150.0° |
| C30 | C35 | C34 | H18 | 179.5° | 180.0° |
| C35 | C30 | C31 | H21 | 179.4° | 180.0° |
| N1 | C6 | C7 | H5 | 120.2° | 120.0° |
| N1 | C6 | C7 | H6 | 120.2° | 120.0° |
| C6 | N1 | C5 | O | 1.1° | 0.2° |
| C6 | N1 | C5 | C2 | 179.3° | 179.7° |
| C6 | N1 | C5 | C | 177.5° | 179.7° |
| N1 | C6 | C7 | C8 | 143.1° | 95.3° |
| C6 | N1 | C2 | C3 | 0.6° | 0.3° |
| C6 | N1 | C2 | N | 177.7° | 179.8° |
| N1 | C6 | C7 | C19 | 36.9° | 84.4° |
| N1 | C6 | H5 | H6 | 119.4° | 120.0° |
| C7 | C6 | N1 | C5 | 67.7° | 83.8° |
| C7 | C6 | N1 | C2 | 111.6° | 96.4° |
| C6 | C7 | C8 | C19 | 180.0° | 179.7° |
| C6 | C7 | C8 | C9 | 179.5° | 180.0° |
| C6 | C7 | C19 | C18 | 179.9° | 180.0° |
| C7 | C6 | H5 | H6 | 119.4° | 120.0° |
| C6 | C7 | C8 | H7 | 0.5° | 0.1° |
| C6 | C7 | C19 | H25 | 0.0° | 0.0° |
| O | C5 | N1 | C | 178.5° | 180.0° |
| O | C5 | N1 | C2 | 179.6° | 180.0° |
| O | C5 | C | C23 | 1.5° | 0.0° |
| O | C5 | C | C1 | 179.9° | 180.0° |
| C29 | N6 | C22 | C23 | 83.8° | 80.5° |
| C29 | N6 | C22 | C24 | 179.4° | 179.9° |
| C29 | N6 | C22 | C21 | 98.8° | 99.5° |
| C29 | N6 | C24 | O1 | 0.9° | 3.7° |
| C29 | N6 | C24 | C25 | 180.0° | 176.3° |
| N6 | C29 | H15 | H16 | 119.6° | 120.1° |
| C5 | N1 | C2 | C3 | 179.9° | 180.0° |
| C5 | N1 | C2 | N | 1.6° | 0.0° |
| N1 | C5 | C | C23 | 179.9° | 180.0° |
| N1 | C5 | C | C1 | 1.5° | 0.0° |
| C5 | N1 | C6 | H5 | 172.1° | 36.1° |
| C5 | N1 | C6 | H6 | 52.5° | 156.1° |
| C2 | N1 | C5 | C | 1.8° | 0.0° |
| N1 | C2 | C3 | N | 178.5° | 179.9° |
| N1 | C2 | N | C1 | 0.9° | 0.1° |
| C2 | N1 | C6 | H5 | 8.6° | 143.6° |
| C2 | N1 | C6 | H6 | 128.2° | 23.6° |
| N1 | C2 | C3 | H23 | 146.5° | 60.6° |
| N1 | C2 | C3 | H24 | 26.9° | 59.4° |
| C5 | C | C23 | C1 | 178.4° | 180.0° |
| C5 | C | C23 | C22 | 179.4° | 179.9° |
| C5 | C | C1 | N | 0.9° | 0.0° |
| C5 | C | C1 | C20 | 179.6° | 180.0° |
| C5 | C | C23 | H22 | 0.6° | 0.1° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.7° | 0.1° |
| C8 | C7 | C19 | C18 | 0.0° | 0.3° |
| C8 | C7 | C6 | H5 | 96.7° | 144.7° |
| C8 | C7 | C6 | H6 | 22.9° | 24.7° |
| C8 | C7 | C19 | H25 | 180.0° | 179.7° |
| C7 | C8 | C9 | H27 | 179.3° | 180.0° |
| C9 | C8 | C7 | C19 | 0.5° | 0.3° |
| C8 | C9 | C10 | H27 | 180.0° | 179.8° |
| C8 | C9 | C10 | C18 | 0.3° | 0.1° |
| C8 | C9 | C10 | C11 | 179.0° | 180.0° |
| C35 | C34 | C33 | H19 | 179.5° | 180.0° |
| C3 | C2 | N | C1 | 179.4° | 180.0° |
| C2 | C3 | C4 | H2 | 180.0° | 180.0° |
| C2 | C3 | C4 | H3 | 60.0° | 59.9° |
| C2 | C3 | C4 | H4 | 60.0° | 60.0° |
| C2 | C3 | H23 | H24 | 119.4° | 120.0° |
| C2 | N | C1 | C | 0.6° | 0.1° |
| C2 | N | C1 | C20 | 179.8° | 180.0° |
| N | C2 | C3 | H23 | 32.0° | 119.5° |
| N | C2 | C3 | H24 | 151.6° | 120.6° |
| C | C23 | C22 | H22 | 180.0° | 179.9° |
| C23 | C | C1 | N | 179.3° | 180.0° |
| C23 | C | C1 | C20 | 1.1° | 0.1° |
| C | C23 | C22 | N6 | 177.6° | 180.0° |
| C | C23 | C22 | C21 | 0.1° | 0.1° |
| C1 | C | C23 | C22 | 1.1° | 0.1° |
| C | C1 | N | C20 | 179.6° | 179.9° |
| C | C1 | C20 | C21 | 0.0° | 0.1° |
| C | C1 | C20 | H10 | 180.0° | 180.0° |
| C1 | C | C23 | H22 | 178.9° | 179.9° |
| C23 | C22 | N6 | C21 | 177.4° | 180.0° |
| C23 | C22 | N6 | C24 | 95.6° | 99.4° |
| C23 | C22 | C21 | C20 | 1.3° | 0.1° |
| C23 | C22 | C21 | H11 | 178.7° | 179.9° |
| C7 | C19 | C18 | H25 | 180.0° | 180.0° |
| C7 | C19 | C18 | C10 | 0.4° | 0.0° |
| C19 | C7 | C6 | H5 | 83.3° | 35.6° |
| C19 | C7 | C6 | H6 | 157.1° | 155.6° |
| C19 | C7 | C8 | H7 | 179.5° | 179.8° |
| C7 | C19 | C18 | H26 | 179.6° | 179.7° |
| N | C1 | C20 | C21 | 179.6° | 180.0° |
| N | C1 | C20 | H10 | 0.4° | 0.1° |
| C1 | C20 | C21 | C22 | 1.2° | 0.1° |
| C1 | C20 | C21 | H10 | 180.0° | 179.9° |
| C1 | C20 | C21 | H11 | 178.8° | 179.9° |
| N6 | C22 | C21 | C20 | 178.7° | 180.0° |
| C22 | N6 | C24 | O1 | 179.8° | 176.4° |
| C22 | N6 | C24 | C25 | 0.6° | 3.6° |
| N6 | C22 | C21 | H11 | 1.3° | 0.1° |
| C22 | N6 | C29 | H15 | 51.0° | 150.0° |
| C22 | N6 | C29 | H16 | 170.7° | 30.0° |
| N6 | C22 | C23 | H22 | 2.4° | 0.1° |
| C21 | C22 | N6 | C24 | 81.8° | 80.5° |
| C22 | C21 | C20 | H11 | 180.0° | 179.9° |
| C22 | C21 | C20 | H10 | 178.8° | 180.0° |
| C21 | C22 | C23 | H22 | 179.9° | 180.0° |
| N6 | C24 | O1 | C25 | 179.2° | 180.0° |
| N6 | C24 | C25 | C26 | 37.1° | 175.9° |
| N6 | C24 | C25 | S | 146.0° | 4.0° |
| C24 | N6 | C29 | H15 | 128.4° | 29.9° |
| C24 | N6 | C29 | H16 | 8.7° | 150.0° |
| C9 | C10 | C18 | C19 | 0.2° | 0.2° |
| C9 | C10 | C18 | C11 | 178.7° | 179.9° |
| C9 | C10 | C11 | C17 | 63.4° | 129.8° |
| C9 | C10 | C11 | C12 | 113.5° | 49.9° |
| C10 | C9 | C8 | H7 | 179.3° | 180.0° |
| C9 | C10 | C18 | H26 | 179.7° | 179.9° |
| C19 | C18 | C10 | H26 | 180.0° | 179.8° |
| C19 | C18 | C10 | C11 | 178.5° | 180.0° |
| O1 | C24 | C25 | C26 | 143.8° | 4.0° |
| O1 | C24 | C25 | S | 33.2° | 176.0° |
| C24 | C25 | C26 | S | 177.3° | 180.0° |
| C24 | C25 | C26 | C27 | 179.1° | 179.9° |
| C24 | C25 | S | C28 | 179.0° | 180.0° |
| C24 | C25 | C26 | H12 | 0.9° | 0.3° |
| C18 | C10 | C11 | C17 | 117.9° | 50.1° |
| C18 | C10 | C11 | C12 | 65.2° | 130.2° |
| C10 | C18 | C19 | H25 | 179.6° | 179.9° |
| C18 | C10 | C9 | H27 | 179.7° | 179.7° |
| C10 | C11 | C17 | C12 | 177.0° | 179.7° |
| C10 | C11 | C17 | C16 | 179.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.4° | 0.0° |
| C10 | C11 | C12 | C14 | 179.0° | 180.0° |
| C10 | C11 | C17 | H9 | 1.1° | 0.0° |
| C11 | C10 | C18 | H26 | 1.6° | 0.2° |
| C11 | C10 | C9 | H27 | 1.0° | 0.1° |
| N4 | N5 | C13 | C12 | 179.5° | 180.0° |
| N4 | N5 | C13 | N2 | 0.1° | 0.4° |
| N5 | N4 | N3 | N2 | 0.2° | 0.0° |
| N5 | N4 | N3 | H1 | 179.9° | 179.7° |
| C13 | N5 | N4 | N3 | 0.2° | 0.3° |
| N5 | C13 | C12 | C11 | 53.2° | 0.5° |
| N5 | C13 | C12 | N2 | 179.2° | 179.4° |
| N5 | C13 | C12 | C14 | 128.1° | 179.5° |
| N5 | C13 | N2 | N3 | 0.0° | 0.4° |
| N4 | N3 | N2 | C13 | 0.1° | 0.3° |
| N4 | N3 | N2 | H1 | 180.0° | 179.7° |
| C11 | C17 | C16 | H9 | 180.0° | 179.9° |
| C17 | C11 | C12 | C13 | 179.3° | 179.7° |
| C17 | C11 | C12 | C14 | 2.1° | 0.2° |
| C11 | C17 | C16 | C15 | 1.0° | 0.0° |
| C11 | C17 | C16 | H28 | 179.0° | 180.0° |
| C12 | C11 | C17 | C16 | 2.0° | 0.2° |
| C11 | C12 | C13 | C14 | 178.7° | 180.0° |
| C11 | C12 | C13 | N2 | 126.1° | 180.0° |
| C11 | C12 | C14 | C15 | 1.2° | 0.0° |
| C12 | C11 | C17 | H9 | 178.1° | 179.7° |
| C11 | C12 | C14 | H29 | 178.8° | 179.9° |
| C17 | C16 | C15 | H28 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.3° |
| C17 | C16 | C15 | H8 | 179.9° | 180.0° |
| C25 | C26 | C27 | H12 | 180.0° | 179.8° |
| C26 | C25 | S | C28 | 1.6° | 0.0° |
| C25 | C26 | C27 | C28 | 1.2° | 0.0° |
| C25 | C26 | C27 | H14 | 178.9° | 179.7° |
| S | C25 | C26 | C27 | 1.8° | 0.0° |
| C25 | S | C28 | C27 | 0.9° | 0.0° |
| S | C25 | C26 | H12 | 178.2° | 179.8° |
| C25 | S | C28 | H13 | 179.1° | 180.0° |
| C26 | C27 | C28 | S | 0.0° | 0.1° |
| C26 | C27 | C28 | H14 | 180.0° | 179.7° |
| C26 | C27 | C28 | H13 | 180.0° | 180.0° |
| C12 | C13 | N2 | N3 | 179.4° | 180.0° |
| C13 | C12 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | C14 | H29 | 0.1° | 0.0° |
| N2 | C13 | C12 | C14 | 52.6° | 0.1° |
| C13 | N2 | N3 | H1 | 179.9° | 180.0° |
| C12 | C14 | C15 | C16 | 0.2° | 0.2° |
| C12 | C14 | C15 | H29 | 180.0° | 179.9° |
| C12 | C14 | C15 | H8 | 179.8° | 180.0° |
| C16 | C15 | C14 | H8 | 180.0° | 179.8° |
| C15 | C16 | C17 | H9 | 179.1° | 179.9° |
| C16 | C15 | C14 | H29 | 179.8° | 179.7° |
| C14 | C15 | C16 | H28 | 180.0° | 179.8° |
| S | C28 | C27 | H13 | 180.0° | 180.0° |
| S | C28 | C27 | H14 | 180.0° | 179.7° |
| C28 | C27 | C26 | H12 | 178.9° | 179.7° |
| H2 | C4 | H3 | H4 | 119.9° | 119.9° |
| H2 | C4 | C3 | H23 | 59.8° | 60.0° |
| H2 | C4 | C3 | H24 | 59.8° | 59.9° |
| H3 | C4 | C3 | H23 | 60.2° | 60.1° |
| H3 | C4 | C3 | H24 | 179.8° | NaN° |
| H4 | C4 | C3 | H23 | 179.8° | 180.0° |
| H4 | C4 | C3 | H24 | 60.2° | 60.1° |
| H7 | C8 | C9 | H27 | 0.7° | 0.1° |
| H8 | C15 | C16 | H28 | 0.1° | 0.0° |
| H8 | C15 | C14 | H29 | 0.2° | 0.1° |
| H9 | C17 | C16 | H28 | 0.9° | 0.1° |
| H10 | C20 | C21 | H11 | 1.2° | 0.1° |
| H12 | C26 | C27 | H14 | 1.1° | 0.0° |
| H13 | C28 | C27 | H14 | 0.0° | 0.3° |
| H17 | C35 | C34 | H18 | 0.4° | 0.0° |
| H18 | C34 | C33 | H19 | 0.5° | 0.0° |
| H19 | C33 | C32 | H20 | 0.5° | 0.3° |
| H20 | C32 | C31 | H21 | 0.6° | 0.6° |
| H25 | C19 | C18 | H26 | 0.4° | 0.3° |
