A1JDJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.55Å | 1.52Å | |
| C2 | C3 | sing | 1.54Å | 1.51Å | |
| C1 | C26 | sing | 1.51Å | 1.52Å | |
| O7 | C26 | doub | 1.21Å | 1.22Å | |
| C26 | N1 | sing | 1.34Å | 1.36Å | |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N1 | C4 | sing | 1.40Å | 1.43Å | |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C14 | N3 | sing | 1.46Å | 1.46Å | |
| C13 | N3 | sing | 1.35Å | 1.38Å | Aromatic |
| C13 | N4 | doub | 1.30Å | 1.33Å | Aromatic |
| N3 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| N4 | C16 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.35Å | Aromatic |
| C23 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | O4 | sing | 1.45Å | 1.45Å | |
| C5 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.51Å | |
| C8 | S1 | sing | 1.76Å | 1.78Å | |
| O4 | C10 | sing | 1.34Å | 1.33Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| C10 | O5 | doub | 1.21Å | 1.20Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| S1 | O2 | doub | 1.42Å | 1.43Å | |
| S1 | N2 | sing | 1.66Å | 1.62Å | |
| C9 | N2 | sing | 1.47Å | 1.47Å | |
| C9 | C17 | sing | 1.53Å | 1.53Å | |
| O6 | C18 | doub | 1.22Å | 1.23Å | |
| C17 | N5 | sing | 1.47Å | 1.46Å | |
| C18 | N5 | sing | 1.35Å | 1.34Å | |
| C18 | C19 | sing | 1.46Å | 1.48Å | |
| S2 | C19 | sing | 1.76Å | 1.73Å | Aromatic |
| S2 | C20 | sing | 1.71Å | 1.71Å | Aromatic |
| C19 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C20 | CL1 | sing | 1.74Å | 1.72Å | |
| C20 | C21 | doub | 1.34Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| O1 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 110.9° | 110.6° |
| O1 | C1 | C26 | 111.2° | 110.5° |
| O1 | C1 | H12 | 111.2° | 110.5° |
| C1 | O1 | H30 | 109.5° | 114.0° |
| C1 | C2 | C3 | 104.0° | 101.7° |
| C2 | C1 | C26 | 103.9° | 104.2° |
| C2 | C1 | H12 | 109.7° | 110.4° |
| C1 | C2 | H21 | 110.8° | 111.0° |
| C1 | C2 | H22 | 110.8° | 110.9° |
| C2 | C3 | N1 | 103.5° | 105.5° |
| C3 | C2 | H21 | 110.8° | 111.0° |
| C3 | C2 | H22 | 110.8° | 111.0° |
| C2 | C3 | H25 | 111.0° | 110.0° |
| C2 | C3 | H26 | 110.9° | 110.5° |
| C1 | C26 | O7 | 126.6° | 124.9° |
| C1 | C26 | N1 | 107.9° | 110.2° |
| C26 | C1 | H12 | 109.6° | 110.5° |
| O7 | C26 | N1 | 125.5° | 124.9° |
| C26 | N1 | C3 | 112.1° | 111.3° |
| C26 | N1 | C4 | 126.6° | 124.4° |
| C24 | C25 | C4 | 120.0° | 119.9° |
| C25 | C24 | C23 | 120.4° | 120.1° |
| C25 | C24 | H11 | 119.8° | 120.0° |
| C24 | C25 | H24 | 120.0° | 120.0° |
| C25 | C4 | N1 | 119.3° | 120.1° |
| C25 | C4 | C5 | 120.7° | 119.8° |
| C4 | C25 | H24 | 120.0° | 120.0° |
| C3 | N1 | C4 | 121.0° | 124.3° |
| N1 | C3 | H25 | 110.9° | 110.2° |
| N1 | C3 | H26 | 110.9° | 110.2° |
| N1 | C4 | C5 | 120.0° | 120.1° |
| C24 | C23 | C8 | 120.4° | 120.1° |
| C23 | C24 | H11 | 119.8° | 120.0° |
| C24 | C23 | H23 | 119.8° | 120.0° |
| C4 | C5 | C8 | 118.9° | 119.9° |
| C4 | C5 | C6 | 119.3° | 120.0° |
| C13 | C12 | C11 | 111.3° | 109.5° |
| C12 | C13 | N3 | 123.4° | 125.6° |
| C12 | C13 | N4 | 125.7° | 125.6° |
| C13 | C12 | H15 | 109.0° | 109.5° |
| C13 | C12 | H16 | 109.0° | 109.4° |
| C12 | C11 | O4 | 109.2° | 109.4° |
| C12 | C11 | H13 | 109.5° | 109.4° |
| C12 | C11 | H14 | 109.5° | 109.4° |
| C11 | C12 | H15 | 109.0° | 109.5° |
| C11 | C12 | H16 | 109.0° | 109.5° |
| C14 | N3 | C13 | 128.5° | 126.4° |
| C14 | N3 | C15 | 125.2° | 126.4° |
| N3 | C14 | H17 | 109.5° | 109.5° |
| N3 | C14 | H18 | 109.4° | 109.5° |
| N3 | C14 | H19 | 109.4° | 109.5° |
| N3 | C13 | N4 | 110.9° | 108.7° |
| C13 | N3 | C15 | 106.3° | 107.2° |
| C13 | N4 | C16 | 105.8° | 109.2° |
| N3 | C15 | C16 | 106.5° | 106.8° |
| N3 | C15 | H6 | 126.8° | 126.5° |
| N4 | C16 | C15 | 110.6° | 108.0° |
| N4 | C16 | H20 | 124.7° | 126.0° |
| C16 | C15 | H6 | 126.8° | 126.7° |
| C15 | C16 | H20 | 124.7° | 126.0° |
| C23 | C8 | C5 | 119.6° | 120.1° |
| C23 | C8 | S1 | 115.9° | 119.9° |
| C8 | C23 | H23 | 119.8° | 119.9° |
| C11 | O4 | C10 | 116.8° | 116.9° |
| O4 | C11 | H13 | 109.5° | 109.5° |
| O4 | C11 | H14 | 109.5° | 109.5° |
| C8 | C5 | C6 | 121.9° | 120.1° |
| C5 | C8 | S1 | 124.5° | 119.9° |
| C5 | C6 | C7 | 113.9° | 109.4° |
| C5 | C6 | H1 | 108.3° | 109.5° |
| C5 | C6 | H2 | 108.4° | 109.5° |
| C8 | S1 | O3 | 108.0° | 106.4° |
| C8 | S1 | O2 | 110.1° | 106.4° |
| C8 | S1 | N2 | 107.3° | 107.2° |
| O4 | C10 | O5 | 125.0° | 120.1° |
| O4 | C10 | C9 | 112.1° | 120.0° |
| C7 | C6 | H1 | 108.4° | 109.5° |
| C7 | C6 | H2 | 108.3° | 109.5° |
| C6 | C7 | H3 | 109.5° | 109.5° |
| C6 | C7 | H4 | 109.5° | 109.5° |
| C6 | C7 | H5 | 109.4° | 109.4° |
| O5 | C10 | C9 | 122.9° | 120.0° |
| C10 | C9 | N2 | 109.0° | 109.5° |
| C10 | C9 | C17 | 111.6° | 109.5° |
| C10 | C9 | H27 | 108.0° | 109.5° |
| O3 | S1 | O2 | 118.9° | 123.2° |
| O3 | S1 | N2 | 106.0° | 106.4° |
| O2 | S1 | N2 | 106.0° | 106.4° |
| S1 | N2 | C9 | 121.5° | 120.0° |
| S1 | N2 | H28 | 106.4° | 120.0° |
| N2 | C9 | C17 | 111.6° | 109.4° |
| N2 | C9 | H27 | 108.7° | 109.5° |
| C9 | N2 | H28 | 106.4° | 120.0° |
| C9 | C17 | N5 | 112.3° | 109.5° |
| C9 | C17 | H7 | 108.8° | 109.5° |
| C9 | C17 | H8 | 108.7° | 109.4° |
| C17 | C9 | H27 | 107.9° | 109.5° |
| O6 | C18 | N5 | 123.0° | 120.0° |
| O6 | C18 | C19 | 119.9° | 120.0° |
| C17 | N5 | C18 | 122.5° | 120.0° |
| N5 | C17 | H7 | 108.7° | 109.5° |
| N5 | C17 | H8 | 108.8° | 109.5° |
| C17 | N5 | H29 | 118.8° | 120.0° |
| N5 | C18 | C19 | 117.0° | 120.0° |
| C18 | N5 | H29 | 118.8° | 120.0° |
| C18 | C19 | S2 | 116.2° | 125.5° |
| C18 | C19 | C22 | 132.1° | 125.5° |
| C19 | S2 | C20 | 90.8° | 91.6° |
| S2 | C19 | C22 | 111.7° | 109.0° |
| S2 | C20 | CL1 | 120.2° | 124.6° |
| S2 | C20 | C21 | 112.7° | 110.9° |
| C19 | C22 | C21 | 112.7° | 113.4° |
| C19 | C22 | H10 | 123.6° | 123.3° |
| CL1 | C20 | C21 | 127.1° | 124.5° |
| C20 | C21 | C22 | 112.0° | 115.1° |
| C20 | C21 | H9 | 124.0° | 122.5° |
| C22 | C21 | H9 | 124.0° | 122.5° |
| C21 | C22 | H10 | 123.6° | 123.3° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H3 | C7 | H5 | 109.5° | 109.5° |
| H4 | C7 | H5 | 109.5° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H19 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.4° |
| H21 | C2 | H22 | 109.5° | 110.9° |
| H25 | C3 | H26 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | C26 | 119.6° | 118.8° |
| O1 | C1 | C2 | H12 | 123.2° | 122.6° |
| O1 | C1 | C2 | C3 | 146.5° | 143.5° |
| O1 | C1 | C26 | H12 | 123.4° | 122.6° |
| O1 | C1 | C26 | O7 | 45.6° | 44.9° |
| O1 | C1 | C26 | N1 | 134.7° | 135.0° |
| O1 | C1 | C2 | H21 | 94.3° | 98.3° |
| O1 | C1 | C2 | H22 | 27.4° | 25.4° |
| C1 | C2 | C3 | H21 | 119.1° | 118.1° |
| C1 | C2 | C3 | H22 | 119.1° | 118.0° |
| C2 | C1 | C26 | H12 | 117.2° | 118.6° |
| C2 | C1 | C26 | O7 | 164.9° | 163.8° |
| C2 | C1 | C26 | N1 | 15.3° | 16.2° |
| C1 | C2 | C3 | N1 | 28.7° | 25.4° |
| C1 | C2 | H21 | H22 | 122.5° | 123.8° |
| C1 | C2 | C3 | H25 | 90.4° | 144.3° |
| C1 | C2 | C3 | H26 | 147.7° | 93.7° |
| C2 | C1 | O1 | H30 | 131.7° | 176.3° |
| C3 | C2 | C1 | C26 | 27.0° | 24.7° |
| C2 | C3 | N1 | C26 | 20.4° | 17.0° |
| C2 | C3 | N1 | H25 | 119.1° | 118.8° |
| C2 | C3 | N1 | H26 | 119.0° | 119.3° |
| C2 | C3 | N1 | C4 | 165.7° | 162.7° |
| C3 | C2 | C1 | H12 | 90.2° | 93.9° |
| C3 | C2 | H21 | H22 | 122.6° | 123.9° |
| C2 | C3 | H25 | H26 | 122.8° | 122.1° |
| C1 | C26 | O7 | N1 | 179.7° | 180.0° |
| C1 | C26 | N1 | C3 | 3.2° | 0.4° |
| C1 | C26 | N1 | C4 | 176.7° | 179.3° |
| C26 | C1 | C2 | H21 | 146.1° | 142.9° |
| C26 | C1 | C2 | H22 | 92.2° | 93.3° |
| C26 | C1 | O1 | H30 | 16.6° | 61.5° |
| O7 | C26 | N1 | C3 | 176.5° | 179.6° |
| O7 | C26 | N1 | C4 | 3.0° | 0.6° |
| O7 | C26 | C1 | H12 | 77.8° | 77.6° |
| C26 | N1 | C4 | C25 | 100.9° | 90.0° |
| C26 | N1 | C3 | C4 | 173.9° | 179.8° |
| C26 | N1 | C4 | C5 | 79.8° | 90.2° |
| N1 | C26 | C1 | H12 | 101.9° | 102.4° |
| C26 | N1 | C3 | H25 | 98.6° | 135.8° |
| C26 | N1 | C3 | H26 | 139.5° | 102.2° |
| C24 | C25 | C4 | H24 | 180.0° | 179.5° |
| C24 | C25 | C4 | N1 | 179.4° | 179.7° |
| C25 | C24 | C23 | H11 | 180.0° | 179.8° |
| C24 | C25 | C4 | C5 | 0.2° | 0.5° |
| C25 | C24 | C23 | C8 | 0.4° | 0.3° |
| C25 | C24 | C23 | H23 | 179.6° | 180.0° |
| C25 | C4 | N1 | C3 | 86.1° | 89.8° |
| C25 | C4 | N1 | C5 | 179.3° | 179.8° |
| C4 | C25 | C24 | C23 | 0.3° | 0.5° |
| C25 | C4 | C5 | C8 | 0.6° | 0.3° |
| C25 | C4 | C5 | C6 | 179.7° | 179.8° |
| C4 | C25 | C24 | H11 | 179.6° | 179.7° |
| C3 | N1 | C4 | C5 | 93.2° | 90.0° |
| N1 | C3 | C2 | H21 | 147.8° | 143.5° |
| N1 | C3 | C2 | H22 | 90.4° | 92.7° |
| N1 | C3 | H25 | H26 | 122.8° | 121.9° |
| N1 | C4 | C5 | C8 | 179.9° | 179.9° |
| N1 | C4 | C5 | C6 | 0.4° | 0.0° |
| N1 | C4 | C25 | H24 | 0.6° | 0.2° |
| C4 | N1 | C3 | H25 | 75.3° | 44.0° |
| C4 | N1 | C3 | H26 | 46.6° | 78.0° |
| C24 | C23 | C8 | H23 | 180.0° | 179.7° |
| C24 | C23 | C8 | C5 | 0.1° | 0.0° |
| C24 | C23 | C8 | S1 | 179.0° | 180.0° |
| C23 | C24 | C25 | H24 | 179.7° | 180.0° |
| C4 | C5 | C8 | C23 | 0.6° | 0.0° |
| C4 | C5 | C8 | C6 | 179.7° | 180.0° |
| C4 | C5 | C8 | S1 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 92.6° | 91.5° |
| C4 | C5 | C6 | H1 | 28.1° | 148.5° |
| C4 | C5 | C6 | H2 | 146.8° | 28.5° |
| C5 | C4 | C25 | H24 | 179.8° | 180.0° |
| C13 | C12 | C11 | H15 | 120.3° | 120.0° |
| C13 | C12 | C11 | H16 | 120.3° | 120.0° |
| C12 | C13 | N3 | C14 | 0.2° | 0.3° |
| C12 | C13 | N3 | N4 | 180.0° | 180.0° |
| C12 | C13 | N3 | C15 | 180.0° | 180.0° |
| C12 | C13 | N4 | C16 | 179.9° | 180.0° |
| C13 | C12 | C11 | O4 | 77.9° | 180.0° |
| C13 | C12 | C11 | H13 | 162.1° | 60.0° |
| C13 | C12 | C11 | H14 | 42.0° | 60.0° |
| C13 | C12 | H15 | H16 | 119.1° | 120.0° |
| C11 | C12 | C13 | N3 | 114.1° | 90.0° |
| C11 | C12 | C13 | N4 | 65.9° | 90.0° |
| C12 | C11 | O4 | H13 | 120.0° | 119.9° |
| C12 | C11 | O4 | H14 | 120.0° | 120.0° |
| C12 | C11 | O4 | C10 | 158.3° | 180.0° |
| C12 | C11 | H13 | H14 | 120.1° | 120.0° |
| C11 | C12 | H15 | H16 | 119.2° | 120.0° |
| C14 | N3 | C13 | C15 | 179.8° | 179.7° |
| C14 | N3 | C13 | N4 | 179.8° | 179.7° |
| C14 | N3 | C15 | C16 | 179.7° | 179.7° |
| C14 | N3 | C15 | H6 | 0.3° | 0.3° |
| N3 | C14 | H17 | H18 | 120.0° | 120.0° |
| N3 | C14 | H17 | H19 | 120.0° | 120.1° |
| N3 | C14 | H18 | H19 | 120.0° | 120.0° |
| N3 | C13 | N4 | C16 | 0.1° | 0.0° |
| C13 | N3 | C15 | C16 | 0.1° | 0.0° |
| C13 | N3 | C15 | H6 | 179.9° | 180.0° |
| N3 | C13 | C12 | H15 | 6.1° | 150.0° |
| N3 | C13 | C12 | H16 | 125.6° | 30.0° |
| C13 | N3 | C14 | H17 | 180.0° | 89.7° |
| C13 | N3 | C14 | H18 | 60.0° | 30.3° |
| C13 | N3 | C14 | H19 | 60.0° | 150.3° |
| N4 | C13 | N3 | C15 | 0.0° | 0.0° |
| C13 | N4 | C16 | C15 | 0.2° | 0.0° |
| N4 | C13 | C12 | H15 | 173.9° | 30.0° |
| N4 | C13 | C12 | H16 | 54.4° | 150.0° |
| C13 | N4 | C16 | H20 | 179.8° | 180.0° |
| N3 | C15 | C16 | N4 | 0.2° | 0.0° |
| N3 | C15 | C16 | H6 | 180.0° | 180.0° |
| C15 | N3 | C14 | H17 | 0.2° | 90.0° |
| C15 | N3 | C14 | H18 | 119.8° | 150.0° |
| C15 | N3 | C14 | H19 | 120.2° | 30.1° |
| N3 | C15 | C16 | H20 | 179.8° | 180.0° |
| N4 | C16 | C15 | H20 | 180.0° | 180.0° |
| N4 | C16 | C15 | H6 | 179.8° | 180.0° |
| C23 | C8 | C5 | S1 | 178.8° | 180.0° |
| C23 | C8 | C5 | C6 | 179.7° | 180.0° |
| C23 | C8 | S1 | O3 | 25.6° | 140.5° |
| C23 | C8 | S1 | O2 | 156.8° | 7.6° |
| C23 | C8 | S1 | N2 | 88.3° | 106.0° |
| C8 | C23 | C24 | H11 | 179.6° | 179.9° |
| C11 | O4 | C10 | O5 | 0.2° | 0.0° |
| C11 | O4 | C10 | C9 | 179.1° | 180.0° |
| O4 | C11 | H13 | H14 | 120.1° | 120.1° |
| O4 | C11 | C12 | H15 | 42.3° | 60.0° |
| O4 | C11 | C12 | H16 | 161.8° | 60.0° |
| C8 | C5 | C6 | C7 | 87.1° | 88.5° |
| C5 | C8 | S1 | O3 | 155.6° | 39.6° |
| C5 | C8 | S1 | O2 | 24.4° | 172.5° |
| C5 | C8 | S1 | N2 | 90.6° | 74.0° |
| C8 | C5 | C6 | H1 | 152.2° | 31.5° |
| C8 | C5 | C6 | H2 | 33.5° | 151.5° |
| C5 | C8 | C23 | H23 | 179.9° | 179.7° |
| C6 | C5 | C8 | S1 | 1.0° | 0.0° |
| C5 | C6 | C7 | H1 | 120.7° | 120.0° |
| C5 | C6 | C7 | H2 | 120.7° | 120.0° |
| C5 | C6 | H1 | H2 | 118.0° | 120.0° |
| C5 | C6 | C7 | H3 | 180.0° | 169.6° |
| C5 | C6 | C7 | H4 | 60.0° | 49.6° |
| C5 | C6 | C7 | H5 | 60.0° | 70.4° |
| C8 | S1 | O3 | O2 | 126.2° | 122.9° |
| C8 | S1 | O3 | N2 | 114.7° | 114.1° |
| C8 | S1 | O2 | N2 | 115.7° | 114.1° |
| C8 | S1 | N2 | C9 | 60.5° | 68.7° |
| S1 | C8 | C23 | H23 | 1.0° | 0.3° |
| C8 | S1 | N2 | H28 | 177.9° | 111.3° |
| O4 | C10 | O5 | C9 | 179.3° | 179.9° |
| O4 | C10 | C9 | N2 | 148.6° | 180.0° |
| O4 | C10 | C9 | C17 | 87.7° | 60.0° |
| C10 | O4 | C11 | H13 | 38.3° | 60.0° |
| C10 | O4 | C11 | H14 | 81.7° | 60.1° |
| O4 | C10 | C9 | H27 | 30.7° | 60.0° |
| C7 | C6 | H1 | H2 | 118.0° | 120.0° |
| C6 | C7 | H3 | H4 | 120.0° | 120.1° |
| C6 | C7 | H3 | H5 | 120.0° | 120.0° |
| C6 | C7 | H4 | H5 | 120.0° | 120.0° |
| O5 | C10 | C9 | N2 | 30.8° | 0.0° |
| O5 | C10 | C9 | C17 | 92.9° | 120.0° |
| O5 | C10 | C9 | H27 | 148.7° | 120.0° |
| C10 | C9 | N2 | S1 | 91.2° | 126.2° |
| C10 | C9 | N2 | C17 | 123.7° | 120.0° |
| C10 | C9 | N2 | H27 | 117.4° | 120.0° |
| C10 | C9 | C17 | H27 | 118.5° | 120.0° |
| C10 | C9 | C17 | N5 | 56.3° | 179.8° |
| C10 | C9 | C17 | H7 | 64.2° | 60.2° |
| C10 | C9 | C17 | H8 | 176.7° | 59.8° |
| C10 | C9 | N2 | H28 | 147.1° | 53.7° |
| O3 | S1 | O2 | N2 | 119.0° | 122.9° |
| O3 | S1 | N2 | C9 | 54.8° | 177.7° |
| O3 | S1 | N2 | H28 | 66.9° | 2.3° |
| O2 | S1 | N2 | C9 | 178.0° | 44.8° |
| O2 | S1 | N2 | H28 | 60.3° | 135.2° |
| S1 | N2 | C9 | H28 | 121.7° | 180.0° |
| S1 | N2 | C9 | C17 | 145.1° | 113.7° |
| S1 | N2 | C9 | H27 | 26.2° | 6.2° |
| N2 | C9 | C17 | H27 | 119.3° | 120.0° |
| N2 | C9 | C17 | N5 | 66.0° | 60.2° |
| N2 | C9 | C17 | H7 | 173.6° | 59.8° |
| N2 | C9 | C17 | H8 | 54.4° | 179.8° |
| C9 | C17 | N5 | H7 | 120.4° | 120.0° |
| C9 | C17 | N5 | H8 | 120.4° | 119.9° |
| C9 | C17 | N5 | C18 | 90.9° | 174.9° |
| C9 | C17 | H7 | H8 | 118.7° | 119.9° |
| C17 | C9 | N2 | H28 | 23.4° | 66.3° |
| C9 | C17 | N5 | H29 | 89.0° | 5.2° |
| O6 | C18 | N5 | C17 | 3.0° | 0.1° |
| O6 | C18 | N5 | C19 | 178.3° | 179.9° |
| O6 | C18 | C19 | S2 | 16.9° | 179.7° |
| O6 | C18 | C19 | C22 | 161.3° | 0.0° |
| O6 | C18 | N5 | H29 | 177.0° | 180.0° |
| C17 | N5 | C18 | H29 | 180.0° | 180.0° |
| C17 | N5 | C18 | C19 | 178.7° | 180.0° |
| N5 | C17 | H7 | H8 | 118.7° | 120.0° |
| N5 | C17 | C9 | H27 | 174.7° | 59.8° |
| N5 | C18 | C19 | S2 | 164.8° | 0.2° |
| N5 | C18 | C19 | C22 | 17.0° | 180.0° |
| C18 | N5 | C17 | H7 | 29.5° | 54.9° |
| C18 | N5 | C17 | H8 | 148.6° | 65.2° |
| C18 | C19 | S2 | C22 | 178.6° | 179.8° |
| C18 | C19 | S2 | C20 | 179.9° | 179.9° |
| C18 | C19 | C22 | C21 | 177.6° | 180.0° |
| C18 | C19 | C22 | H10 | 2.4° | 0.0° |
| C19 | C18 | N5 | H29 | 1.3° | 0.0° |
| C19 | S2 | C20 | CL1 | 177.5° | 180.0° |
| C19 | S2 | C20 | C21 | 3.1° | 0.3° |
| S2 | C19 | C22 | C21 | 0.7° | 0.2° |
| S2 | C19 | C22 | H10 | 179.3° | 179.8° |
| C20 | S2 | C19 | C22 | 1.4° | 0.3° |
| S2 | C20 | CL1 | C21 | 179.3° | 179.7° |
| S2 | C20 | C21 | C22 | 4.1° | 0.3° |
| S2 | C20 | C21 | H9 | 175.9° | 179.8° |
| C19 | C22 | C21 | C20 | 3.0° | 0.0° |
| C19 | C22 | C21 | H10 | 180.0° | 180.0° |
| C19 | C22 | C21 | H9 | 177.0° | 180.0° |
| CL1 | C20 | C21 | C22 | 176.6° | 180.0° |
| CL1 | C20 | C21 | H9 | 3.4° | 0.1° |
| C20 | C21 | C22 | H9 | 180.0° | 179.9° |
| C20 | C21 | C22 | H10 | 177.0° | 179.9° |
| H1 | C6 | C7 | H3 | 59.3° | 70.4° |
| H1 | C6 | C7 | H4 | 179.3° | 169.5° |
| H1 | C6 | C7 | H5 | 60.7° | 49.6° |
| H2 | C6 | C7 | H3 | 59.3° | 49.6° |
| H2 | C6 | C7 | H4 | 60.7° | 70.4° |
| H2 | C6 | C7 | H5 | 179.3° | 169.6° |
| H3 | C7 | H4 | H5 | 120.0° | 120.0° |
| H6 | C15 | C16 | H20 | 0.2° | 0.1° |
| H7 | C17 | C9 | H27 | 54.3° | 179.8° |
| H7 | C17 | N5 | H29 | 150.5° | 125.2° |
| H8 | C17 | C9 | H27 | 64.9° | 60.2° |
| H8 | C17 | N5 | H29 | 31.4° | 114.8° |
| H9 | C21 | C22 | H10 | 3.0° | 0.0° |
| H11 | C24 | C23 | H23 | 0.4° | 0.2° |
| H11 | C24 | C25 | H24 | 0.4° | 0.2° |
| H12 | C1 | C2 | H21 | 28.9° | 24.3° |
| H12 | C1 | C2 | H22 | 150.7° | 148.0° |
| H12 | C1 | O1 | H30 | 105.9° | 61.1° |
| H13 | C11 | C12 | H15 | 77.7° | 180.0° |
| H13 | C11 | C12 | H16 | 41.8° | 60.0° |
| H14 | C11 | C12 | H15 | 162.3° | 60.0° |
| H14 | C11 | C12 | H16 | 78.2° | 180.0° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
| H21 | C2 | C3 | H25 | 28.8° | 97.6° |
| H21 | C2 | C3 | H26 | 93.2° | 24.4° |
| H22 | C2 | C3 | H25 | 150.5° | 26.2° |
| H22 | C2 | C3 | H26 | 28.6° | 148.2° |
| H27 | C9 | N2 | H28 | 95.5° | 173.7° |
