A1IL9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C12 | S1 | sing | 1.75Å | 1.73Å | Aromatic |
| C12 | C14 | doub | 1.32Å | 1.35Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| S1 | C11 | sing | 1.71Å | 1.73Å | Aromatic |
| C14 | C10 | sing | 1.45Å | 1.46Å | Aromatic |
| O3 | C4 | doub | 1.22Å | 1.23Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C10 | C9 | sing | 1.48Å | 1.42Å | |
| C11 | N2 | sing | 1.40Å | 1.39Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.48Å | 1.50Å | |
| C4 | N1 | sing | 1.35Å | 1.35Å | |
| C17 | C16 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.37Å | Aromatic |
| CL1 | C1 | sing | 1.74Å | 1.73Å | |
| C9 | C8 | sing | 1.48Å | 1.49Å | |
| C9 | N5 | doub | 1.30Å | 1.29Å | |
| C3 | C28 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| O4 | S2 | doub | 1.42Å | 1.57Å | |
| N2 | C16 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C5 | N1 | sing | 1.39Å | 1.42Å | |
| C5 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| C16 | N3 | doub | 1.31Å | 1.30Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | S2 | sing | 1.76Å | 1.80Å | |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| N5 | C19 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.51Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| S2 | O5 | sing | 1.52Å | 1.46Å | |
| O1 | C22 | sing | 1.45Å | 1.48Å | |
| O1 | C21 | sing | 1.34Å | 1.34Å | |
| N3 | N4 | sing | 1.29Å | 1.40Å | Aromatic |
| C22 | C25 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C21 | O2 | doub | 1.21Å | 1.20Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| N1 | H29 | sing | 0.97Å | 1.00Å | |
| O5 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | S1 | 117.8° | 124.7° |
| C13 | C12 | C14 | 129.7° | 124.6° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| S1 | C12 | C14 | 112.5° | 110.7° |
| C12 | S1 | C11 | 91.2° | 92.6° |
| C12 | C14 | C15 | 122.6° | 123.0° |
| C12 | C14 | C10 | 114.1° | 113.9° |
| C15 | C14 | C10 | 123.4° | 123.1° |
| C14 | C15 | H7 | 109.5° | 109.5° |
| C14 | C15 | H8 | 109.5° | 109.5° |
| C14 | C15 | H9 | 109.5° | 109.5° |
| S1 | C11 | C10 | 112.5° | 111.0° |
| S1 | C11 | N2 | 122.7° | 125.0° |
| C14 | C10 | C11 | 108.0° | 111.8° |
| C14 | C10 | C9 | 127.7° | 123.4° |
| O3 | C4 | C3 | 120.7° | 120.0° |
| O3 | C4 | N1 | 123.6° | 120.0° |
| C11 | C10 | C9 | 124.3° | 124.8° |
| C10 | C11 | N2 | 124.7° | 124.1° |
| C10 | C9 | C8 | 122.8° | 117.0° |
| C10 | C9 | N5 | 118.0° | 126.0° |
| C11 | N2 | C16 | 131.7° | 128.9° |
| C11 | N2 | C18 | 121.3° | 124.5° |
| C6 | C7 | C8 | 121.0° | 119.9° |
| C7 | C6 | C5 | 120.3° | 120.1° |
| C7 | C6 | H2 | 119.9° | 120.0° |
| C6 | C7 | H3 | 119.5° | 120.1° |
| C7 | C8 | C9 | 121.2° | 120.1° |
| C7 | C8 | C26 | 118.3° | 119.9° |
| C8 | C7 | H3 | 119.5° | 120.0° |
| C6 | C5 | N1 | 123.3° | 119.9° |
| C6 | C5 | C27 | 119.0° | 120.1° |
| C5 | C6 | H2 | 119.9° | 120.0° |
| C3 | C4 | N1 | 115.8° | 120.0° |
| C4 | C3 | C2 | 119.4° | 120.1° |
| C4 | C3 | C28 | 121.2° | 120.2° |
| C4 | N1 | C5 | 130.6° | 120.0° |
| C4 | N1 | H29 | 114.7° | 120.0° |
| C17 | C16 | N2 | 124.9° | 126.6° |
| C17 | C16 | N3 | 126.2° | 126.7° |
| C16 | C17 | H10 | 109.5° | 109.4° |
| C16 | C17 | H11 | 109.4° | 109.5° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C3 | C2 | C1 | 120.0° | 119.8° |
| C2 | C3 | C28 | 119.4° | 119.7° |
| C3 | C2 | H1 | 120.0° | 120.1° |
| C2 | C1 | CL1 | 119.3° | 119.9° |
| C2 | C1 | C30 | 120.9° | 120.1° |
| C1 | C2 | H1 | 120.0° | 120.0° |
| CL1 | C1 | C30 | 119.8° | 119.9° |
| C8 | C9 | N5 | 119.1° | 117.0° |
| C9 | C8 | C26 | 120.5° | 120.0° |
| C9 | N5 | C19 | 123.1° | 122.4° |
| C3 | C28 | C29 | 120.6° | 119.9° |
| C3 | C28 | H27 | 119.7° | 120.0° |
| C8 | C26 | C27 | 121.1° | 119.9° |
| C8 | C26 | H25 | 119.4° | 120.0° |
| O4 | S2 | C30 | 100.5° | 103.0° |
| O4 | S2 | O5 | 105.8° | 103.0° |
| C16 | N2 | C18 | 107.0° | 106.5° |
| N2 | C16 | N3 | 108.9° | 106.7° |
| N2 | C18 | C19 | 121.8° | 125.1° |
| N2 | C18 | N4 | 108.5° | 107.1° |
| N1 | C5 | C27 | 117.7° | 119.9° |
| C5 | N1 | H29 | 114.7° | 120.0° |
| C5 | C27 | C26 | 120.3° | 120.0° |
| C5 | C27 | H26 | 119.9° | 120.0° |
| C1 | C30 | C29 | 119.1° | 120.3° |
| C1 | C30 | S2 | 120.1° | 119.9° |
| C24 | C22 | O1 | 105.9° | 109.5° |
| C24 | C22 | C25 | 111.0° | 109.5° |
| C24 | C22 | C23 | 110.8° | 109.5° |
| C22 | C24 | H19 | 109.5° | 109.4° |
| C22 | C24 | H20 | 109.4° | 109.5° |
| C22 | C24 | H21 | 109.5° | 109.5° |
| C16 | N3 | N4 | 108.2° | 109.9° |
| C28 | C29 | C30 | 119.9° | 120.2° |
| C29 | C28 | H27 | 119.7° | 120.1° |
| C28 | C29 | H28 | 120.0° | 119.9° |
| C29 | C30 | S2 | 120.9° | 119.8° |
| C30 | C29 | H28 | 120.0° | 119.9° |
| C30 | S2 | O5 | 106.4° | 103.0° |
| C27 | C26 | H25 | 119.4° | 120.0° |
| C26 | C27 | H26 | 119.8° | 120.0° |
| N5 | C19 | C18 | 110.7° | 109.1° |
| N5 | C19 | C20 | 109.3° | 109.5° |
| N5 | C19 | H13 | 109.3° | 109.5° |
| C18 | C19 | C20 | 110.1° | 109.5° |
| C19 | C18 | N4 | 129.7° | 127.8° |
| C18 | C19 | H13 | 108.9° | 109.5° |
| C19 | C20 | C21 | 112.4° | 109.5° |
| C20 | C19 | H13 | 108.4° | 109.5° |
| C19 | C20 | H14 | 108.7° | 109.5° |
| C19 | C20 | H15 | 108.7° | 109.5° |
| C18 | N4 | N3 | 107.4° | 109.8° |
| S2 | O5 | H31 | 109.5° | 114.0° |
| C22 | O1 | C21 | 122.8° | 117.0° |
| O1 | C22 | C25 | 108.3° | 109.5° |
| O1 | C22 | C23 | 108.8° | 109.4° |
| O1 | C21 | C20 | 110.8° | 120.0° |
| O1 | C21 | O2 | 126.9° | 120.0° |
| C25 | C22 | C23 | 111.8° | 109.4° |
| C22 | C25 | H22 | 109.5° | 109.5° |
| C22 | C25 | H23 | 109.5° | 109.5° |
| C22 | C25 | H24 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.5° | 109.5° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| C22 | C23 | H18 | 109.5° | 109.5° |
| C20 | C21 | O2 | 122.4° | 120.0° |
| C21 | C20 | H14 | 108.7° | 109.5° |
| C21 | C20 | H15 | 108.7° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.4° |
| H7 | C15 | H9 | 109.4° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H12 | 109.5° | 109.5° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H16 | C23 | H18 | 109.4° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.4° | 109.5° |
| H19 | C24 | H21 | 109.5° | 109.5° |
| H20 | C24 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.5° |
| H22 | C25 | H24 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | S1 | C14 | 179.6° | 179.7° |
| C13 | C12 | C14 | C15 | 5.6° | 0.7° |
| C13 | C12 | S1 | C11 | 178.0° | 178.7° |
| C13 | C12 | C14 | C10 | 174.2° | 179.6° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 120.0° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| S1 | C12 | C14 | C15 | 173.9° | 179.7° |
| S1 | C12 | C14 | C10 | 6.3° | 0.1° |
| C12 | S1 | C11 | C10 | 9.3° | 2.9° |
| C12 | S1 | C11 | N2 | 167.8° | 177.4° |
| S1 | C12 | C13 | H4 | 0.0° | 0.0° |
| S1 | C12 | C13 | H5 | 120.0° | 120.0° |
| S1 | C12 | C13 | H6 | 120.0° | 120.0° |
| C12 | C14 | C15 | C10 | 179.8° | 179.7° |
| C14 | C12 | S1 | C11 | 1.6° | 1.6° |
| C12 | C14 | C10 | C11 | 12.8° | 2.3° |
| C12 | C14 | C10 | C9 | 169.4° | 177.0° |
| C14 | C12 | C13 | H4 | 179.5° | 179.6° |
| C14 | C12 | C13 | H5 | 60.5° | 60.4° |
| C14 | C12 | C13 | H6 | 59.5° | 59.7° |
| C12 | C14 | C15 | H7 | 89.9° | 84.8° |
| C12 | C14 | C15 | H8 | 150.1° | 155.2° |
| C12 | C14 | C15 | H9 | 30.1° | 35.2° |
| C15 | C14 | C10 | C11 | 167.4° | 177.5° |
| C15 | C14 | C10 | C9 | 10.4° | 3.2° |
| C14 | C15 | H7 | H8 | 120.0° | 120.0° |
| C14 | C15 | H7 | H9 | 120.0° | 120.1° |
| C14 | C15 | H8 | H9 | 120.0° | 120.0° |
| S1 | C11 | C10 | C14 | 13.8° | 3.4° |
| S1 | C11 | C10 | N2 | 177.0° | 179.8° |
| S1 | C11 | C10 | C9 | 168.4° | 175.9° |
| S1 | C11 | N2 | C16 | 35.5° | 33.1° |
| S1 | C11 | N2 | C18 | 144.4° | 146.5° |
| C14 | C10 | C11 | C9 | 177.9° | 179.3° |
| C14 | C10 | C11 | N2 | 163.2° | 176.8° |
| C14 | C10 | C9 | C8 | 57.5° | 36.9° |
| C14 | C10 | C9 | N5 | 121.5° | 143.1° |
| C10 | C14 | C15 | H7 | 89.9° | 94.9° |
| C10 | C14 | C15 | H8 | 30.1° | 25.0° |
| C10 | C14 | C15 | H9 | 150.1° | 145.0° |
| O3 | C4 | C3 | N1 | 179.7° | 180.0° |
| O3 | C4 | C3 | C2 | 25.2° | 0.0° |
| O3 | C4 | C3 | C28 | 154.5° | 180.0° |
| O3 | C4 | N1 | C5 | 5.3° | 5.4° |
| O3 | C4 | N1 | H29 | 174.7° | 174.6° |
| C11 | C10 | C9 | C8 | 125.1° | 142.3° |
| C11 | C10 | C9 | N5 | 56.0° | 37.7° |
| C10 | C11 | N2 | C16 | 147.8° | 146.7° |
| C10 | C11 | N2 | C18 | 32.3° | 33.7° |
| C9 | C10 | C11 | N2 | 14.6° | 3.9° |
| C10 | C9 | C8 | C7 | 17.6° | 145.0° |
| C10 | C9 | C8 | N5 | 178.9° | 180.0° |
| C10 | C9 | C8 | C26 | 162.0° | 35.3° |
| C10 | C9 | N5 | C19 | 9.1° | 4.6° |
| C11 | N2 | C16 | C17 | 0.5° | 0.9° |
| C11 | N2 | C16 | C18 | 179.9° | 179.7° |
| C11 | N2 | C16 | N3 | 179.9° | 179.1° |
| C11 | N2 | C18 | C19 | 0.2° | 1.2° |
| C11 | N2 | C18 | N4 | 179.8° | 179.1° |
| C6 | C7 | C8 | H3 | 180.0° | 179.9° |
| C7 | C6 | C5 | H2 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 179.9° | 179.7° |
| C6 | C7 | C8 | C26 | 0.2° | 0.0° |
| C7 | C6 | C5 | N1 | 179.9° | 179.9° |
| C7 | C6 | C5 | C27 | 0.1° | 0.1° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C7 | C8 | C9 | C26 | 179.6° | 179.7° |
| C7 | C8 | C9 | N5 | 163.5° | 35.0° |
| C7 | C8 | C26 | C27 | 0.3° | 0.1° |
| C8 | C7 | C6 | H2 | 179.9° | 180.0° |
| C7 | C8 | C26 | H25 | 179.7° | 180.0° |
| C6 | C5 | N1 | C4 | 2.1° | 145.3° |
| C6 | C5 | N1 | C27 | 179.9° | 180.0° |
| C6 | C5 | C27 | C26 | 0.0° | 0.0° |
| C5 | C6 | C7 | H3 | 179.9° | 180.0° |
| C6 | C5 | C27 | H26 | 180.0° | 180.0° |
| C6 | C5 | N1 | H29 | 177.9° | 34.7° |
| C4 | C3 | C2 | C28 | 179.7° | 180.0° |
| C4 | C3 | C2 | C1 | 180.0° | 180.0° |
| C3 | C4 | N1 | C5 | 175.0° | 174.6° |
| C4 | C3 | C28 | C29 | 179.9° | 180.0° |
| C4 | C3 | C2 | H1 | 0.0° | 0.0° |
| C4 | C3 | C28 | H27 | 0.1° | 0.1° |
| C3 | C4 | N1 | H29 | 5.0° | 5.4° |
| N1 | C4 | C3 | C2 | 155.1° | 180.0° |
| N1 | C4 | C3 | C28 | 25.2° | 0.0° |
| C4 | N1 | C5 | H29 | 180.0° | 180.0° |
| C4 | N1 | C5 | C27 | 178.0° | 34.8° |
| C17 | C16 | N2 | N3 | 179.6° | 180.0° |
| C17 | C16 | N2 | C18 | 179.6° | 179.4° |
| C17 | C16 | N3 | N4 | 179.7° | 179.7° |
| C16 | C17 | H10 | H11 | 120.0° | 120.0° |
| C16 | C17 | H10 | H12 | 120.0° | 119.9° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | CL1 | 179.8° | 179.6° |
| C3 | C2 | C1 | C30 | 0.4° | 0.0° |
| C2 | C3 | C28 | C29 | 0.3° | 0.0° |
| C2 | C3 | C28 | H27 | 179.7° | 179.9° |
| C2 | C1 | CL1 | C30 | 179.9° | 179.6° |
| C1 | C2 | C3 | C28 | 0.4° | 0.0° |
| C2 | C1 | C30 | C29 | 0.3° | 0.1° |
| C2 | C1 | C30 | S2 | 179.9° | 180.0° |
| CL1 | C1 | C30 | C29 | 179.8° | 179.7° |
| CL1 | C1 | C30 | S2 | 0.2° | 0.4° |
| CL1 | C1 | C2 | H1 | 0.2° | 0.3° |
| C9 | C8 | C26 | C27 | 179.9° | 179.7° |
| C8 | C9 | N5 | C19 | 171.9° | 175.4° |
| C9 | C8 | C7 | H3 | 0.1° | 0.2° |
| C9 | C8 | C26 | H25 | 0.1° | 0.3° |
| N5 | C9 | C8 | C26 | 16.9° | 144.7° |
| C9 | N5 | C19 | C18 | 61.7° | 62.3° |
| C9 | N5 | C19 | C20 | 176.9° | 57.6° |
| C9 | N5 | C19 | H13 | 58.4° | 177.7° |
| C3 | C28 | C29 | H27 | 180.0° | 179.9° |
| C3 | C28 | C29 | C30 | 0.2° | 0.1° |
| C28 | C3 | C2 | H1 | 179.7° | 180.0° |
| C3 | C28 | C29 | H28 | 179.8° | 180.0° |
| C8 | C26 | C27 | C5 | 0.2° | 0.1° |
| C8 | C26 | C27 | H25 | 180.0° | 179.9° |
| C26 | C8 | C7 | H3 | 179.8° | 179.9° |
| C8 | C26 | C27 | H26 | 179.8° | 180.0° |
| O4 | S2 | C30 | C1 | 88.6° | 103.2° |
| O4 | S2 | C30 | C29 | 91.8° | 76.9° |
| O4 | S2 | C30 | O5 | 110.1° | 106.9° |
| O4 | S2 | O5 | H31 | 0.0° | 73.2° |
| C16 | N2 | C18 | C19 | 179.7° | 179.2° |
| C16 | N2 | C18 | N4 | 0.1° | 0.6° |
| N2 | C16 | N3 | N4 | 0.1° | 0.3° |
| N2 | C16 | C17 | H10 | 179.5° | 90.0° |
| N2 | C16 | C17 | H11 | 59.5° | 30.0° |
| N2 | C16 | C17 | H12 | 60.5° | 150.0° |
| C18 | N2 | C16 | N3 | 0.0° | 0.5° |
| N2 | C18 | C19 | N5 | 64.4° | 59.7° |
| N2 | C18 | C19 | N4 | 179.6° | 179.7° |
| N2 | C18 | C19 | C20 | 174.7° | 60.3° |
| N2 | C18 | N4 | N3 | 0.1° | 0.5° |
| N2 | C18 | C19 | H13 | 55.9° | 179.6° |
| N1 | C5 | C27 | C26 | 179.9° | 180.0° |
| N1 | C5 | C6 | H2 | 0.1° | 0.1° |
| N1 | C5 | C27 | H26 | 0.1° | 0.0° |
| C5 | C27 | C26 | H26 | 180.0° | 180.0° |
| C27 | C5 | C6 | H2 | 179.9° | 180.0° |
| C5 | C27 | C26 | H25 | 179.8° | 180.0° |
| C27 | C5 | N1 | H29 | 2.0° | 145.2° |
| C1 | C30 | C29 | C28 | 0.2° | 0.1° |
| C1 | C30 | C29 | S2 | 179.6° | 179.9° |
| C1 | C30 | S2 | O5 | 161.3° | 150.0° |
| C30 | C1 | C2 | H1 | 179.6° | 180.0° |
| C1 | C30 | C29 | H28 | 179.8° | 180.0° |
| C24 | C22 | O1 | C25 | 119.2° | 120.0° |
| C24 | C22 | O1 | C23 | 119.1° | 120.0° |
| C24 | C22 | O1 | C21 | 174.4° | 60.0° |
| C24 | C22 | C25 | C23 | 124.2° | 120.0° |
| C24 | C22 | C23 | H16 | 180.0° | 60.0° |
| C24 | C22 | C23 | H17 | 60.0° | 60.0° |
| C24 | C22 | C23 | H18 | 60.0° | 180.0° |
| C22 | C24 | H19 | H20 | 120.0° | 120.0° |
| C22 | C24 | H19 | H21 | 120.0° | 120.0° |
| C22 | C24 | H20 | H21 | 120.0° | 120.1° |
| C24 | C22 | C25 | H22 | 180.0° | 180.0° |
| C24 | C22 | C25 | H23 | 60.0° | 59.9° |
| C24 | C22 | C25 | H24 | 60.0° | 60.1° |
| C16 | N3 | N4 | C18 | 0.1° | 0.1° |
| N3 | C16 | C17 | H10 | 0.0° | 90.0° |
| N3 | C16 | C17 | H11 | 120.0° | 150.0° |
| N3 | C16 | C17 | H12 | 120.0° | 30.0° |
| C28 | C29 | C30 | H28 | 180.0° | 179.9° |
| C28 | C29 | C30 | S2 | 179.8° | 179.9° |
| C29 | C30 | S2 | O5 | 18.3° | 30.0° |
| C30 | C29 | C28 | H27 | 179.8° | 180.0° |
| S2 | C30 | C29 | H28 | 0.2° | 0.1° |
| C30 | S2 | O5 | H31 | 106.3° | 179.9° |
| N5 | C19 | C18 | C20 | 121.0° | 119.9° |
| N5 | C19 | C18 | H13 | 120.3° | 119.9° |
| N5 | C19 | C20 | H13 | 119.1° | 120.2° |
| N5 | C19 | C18 | N4 | 116.0° | 120.1° |
| N5 | C19 | C20 | C21 | 37.6° | 65.3° |
| N5 | C19 | C20 | H14 | 82.9° | 54.7° |
| N5 | C19 | C20 | H15 | 158.0° | 174.7° |
| C18 | C19 | C20 | H13 | 119.1° | 120.2° |
| C19 | C18 | N4 | N3 | 179.8° | 179.3° |
| C18 | C19 | C20 | C21 | 159.4° | 175.0° |
| C18 | C19 | C20 | H14 | 39.0° | 65.0° |
| C18 | C19 | C20 | H15 | 80.2° | 55.0° |
| C20 | C19 | C18 | N4 | 4.9° | 120.0° |
| C19 | C20 | C21 | O1 | 60.1° | 180.0° |
| C19 | C20 | C21 | H14 | 120.4° | 120.1° |
| C19 | C20 | C21 | H15 | 120.4° | 120.0° |
| C19 | C20 | C21 | O2 | 119.4° | 0.0° |
| C19 | C20 | H14 | H15 | 118.7° | 120.0° |
| N4 | C18 | C19 | H13 | 123.7° | 0.2° |
| O1 | C22 | C25 | C23 | 119.9° | 120.0° |
| C22 | O1 | C21 | C20 | 169.5° | 180.0° |
| C22 | O1 | C21 | O2 | 11.0° | 0.1° |
| O1 | C22 | C23 | H16 | 63.9° | 60.0° |
| O1 | C22 | C23 | H17 | 56.1° | 180.0° |
| O1 | C22 | C23 | H18 | 176.1° | 60.0° |
| O1 | C22 | C24 | H19 | 180.0° | 60.0° |
| O1 | C22 | C24 | H20 | 60.0° | 180.0° |
| O1 | C22 | C24 | H21 | 60.0° | 60.0° |
| O1 | C22 | C25 | H22 | 64.1° | 59.9° |
| O1 | C22 | C25 | H23 | 175.9° | 180.0° |
| O1 | C22 | C25 | H24 | 55.9° | 60.0° |
| C21 | O1 | C22 | C25 | 66.5° | 60.1° |
| C21 | O1 | C22 | C23 | 55.2° | 180.0° |
| O1 | C21 | C20 | O2 | 179.5° | 179.9° |
| O1 | C21 | C20 | H14 | 179.4° | 59.9° |
| O1 | C21 | C20 | H15 | 60.3° | 60.0° |
| C25 | C22 | C23 | H16 | 55.7° | 180.0° |
| C25 | C22 | C23 | H17 | 175.6° | 60.0° |
| C25 | C22 | C23 | H18 | 64.3° | 60.0° |
| C25 | C22 | C24 | H19 | 62.6° | 60.0° |
| C25 | C22 | C24 | H20 | 177.4° | 59.9° |
| C25 | C22 | C24 | H21 | 57.4° | 180.0° |
| C22 | C25 | H22 | H23 | 120.0° | 120.0° |
| C22 | C25 | H22 | H24 | 120.0° | 120.0° |
| C22 | C25 | H23 | H24 | 120.0° | 120.0° |
| C22 | C23 | H16 | H17 | 120.0° | 120.0° |
| C22 | C23 | H16 | H18 | 120.0° | 120.0° |
| C22 | C23 | H17 | H18 | 120.0° | 120.1° |
| C23 | C22 | C24 | H19 | 62.1° | 180.0° |
| C23 | C22 | C24 | H20 | 57.8° | 60.0° |
| C23 | C22 | C24 | H21 | 177.8° | 60.0° |
| C23 | C22 | C25 | H22 | 55.8° | 60.0° |
| C23 | C22 | C25 | H23 | 64.2° | 60.0° |
| C23 | C22 | C25 | H24 | 175.8° | 180.0° |
| C21 | C20 | C19 | H13 | 81.5° | 54.8° |
| C21 | C20 | H14 | H15 | 118.7° | 119.9° |
| O2 | C21 | C20 | H14 | 1.1° | 120.0° |
| O2 | C21 | C20 | H15 | 120.2° | 120.1° |
| H2 | C6 | C7 | H3 | 0.1° | 0.1° |
| H4 | C13 | H5 | H6 | 120.0° | 120.0° |
| H7 | C15 | H8 | H9 | 119.9° | 120.0° |
| H10 | C17 | H11 | H12 | 120.0° | 120.0° |
| H13 | C19 | C20 | H14 | 158.1° | 174.9° |
| H13 | C19 | C20 | H15 | 38.9° | 65.2° |
| H16 | C23 | H17 | H18 | 119.9° | 119.9° |
| H19 | C24 | H20 | H21 | 120.0° | 120.0° |
| H22 | C25 | H23 | H24 | 120.0° | 119.9° |
| H25 | C26 | C27 | H26 | 0.2° | 0.0° |
| H27 | C28 | C29 | H28 | 0.2° | 0.1° |
