XVG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C18 | sing | 1.36Å | 1.37Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| O8 | C21 | doub | 1.22Å | 1.22Å | |
| O6 | C17 | sing | 1.36Å | 1.37Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.48Å | 1.49Å | |
| C20 | C15 | doub | 1.41Å | 1.39Å | Aromatic |
| C21 | N5 | sing | 1.35Å | 1.40Å | |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.49Å | |
| O4 | C11 | doub | 1.22Å | 1.23Å | |
| C8 | N3 | sing | 1.47Å | 1.45Å | |
| C8 | C6 | sing | 1.53Å | 1.53Å | |
| N5 | C14 | sing | 1.35Å | 1.40Å | |
| N5 | C13 | sing | 1.47Å | 1.45Å | |
| N3 | N6 | sing | 1.36Å | 1.41Å | |
| N3 | C9 | sing | 1.48Å | 1.44Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.46Å | 1.45Å | |
| C14 | O5 | doub | 1.21Å | 1.21Å | |
| N6 | C22 | sing | 1.37Å | 1.29Å | |
| C11 | N4 | sing | 1.35Å | 1.33Å | |
| C11 | C10 | sing | 1.47Å | 1.35Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| C6 | N2 | sing | 1.47Å | 1.45Å | |
| O9 | C23 | doub | 1.21Å | 1.23Å | |
| O2 | C5 | doub | 1.21Å | 1.22Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C10 | C22 | doub | 1.35Å | 1.33Å | |
| C22 | C23 | sing | 1.48Å | 1.50Å | |
| C7 | O3 | doub | 1.21Å | 1.17Å | |
| C23 | O10 | sing | 1.35Å | 1.22Å | |
| C5 | N2 | sing | 1.35Å | 1.32Å | |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| CL1 | C26 | sing | 1.74Å | 1.71Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| O1 | C2 | sing | 1.43Å | 1.46Å | |
| O1 | N1 | sing | 1.42Å | 1.43Å | |
| C4 | N1 | doub | 1.30Å | 1.29Å | |
| C4 | C24 | sing | 1.48Å | 1.43Å | |
| O11 | C27 | doub | 1.21Å | 1.24Å | |
| C2 | C27 | sing | 1.51Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C26 | C24 | doub | 1.35Å | 1.38Å | Aromatic |
| C26 | S1 | sing | 1.76Å | 1.69Å | Aromatic |
| C27 | O12 | sing | 1.34Å | 1.26Å | |
| C24 | N7 | sing | 1.33Å | 1.40Å | Aromatic |
| S1 | C25 | sing | 1.76Å | 1.74Å | Aromatic |
| N7 | C25 | doub | 1.30Å | 1.32Å | Aromatic |
| C25 | N8 | sing | 1.39Å | 1.35Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| O6 | H21 | sing | 0.97Å | 0.95Å | |
| O7 | H22 | sing | 0.97Å | 0.95Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| O10 | H25 | sing | 0.97Å | 0.95Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| N8 | H28 | sing | 0.97Å | 1.00Å | |
| O12 | H29 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C18 | C19 | 121.6° | 119.8° |
| O7 | C18 | C17 | 117.9° | 119.9° |
| C18 | O7 | H22 | 109.5° | 114.1° |
| C19 | C18 | C17 | 120.6° | 120.3° |
| C18 | C19 | C20 | 118.5° | 119.7° |
| C18 | C19 | H23 | 120.7° | 120.1° |
| C18 | C17 | O6 | 116.9° | 119.8° |
| C18 | C17 | C16 | 120.4° | 120.3° |
| C19 | C20 | C21 | 130.6° | 134.2° |
| C19 | C20 | C15 | 121.1° | 120.0° |
| C20 | C19 | H23 | 120.8° | 120.2° |
| O8 | C21 | C20 | 128.9° | 125.7° |
| O8 | C21 | N5 | 124.9° | 125.7° |
| O6 | C17 | C16 | 122.8° | 119.9° |
| C17 | O6 | H21 | 109.5° | 114.0° |
| C17 | C16 | C15 | 118.6° | 119.8° |
| C17 | C16 | H20 | 120.7° | 120.1° |
| C21 | C20 | C15 | 108.3° | 105.9° |
| C20 | C21 | N5 | 106.1° | 108.6° |
| C20 | C15 | C16 | 120.8° | 120.0° |
| C20 | C15 | C14 | 107.8° | 105.9° |
| C21 | N5 | C14 | 111.6° | 111.1° |
| C21 | N5 | C13 | 124.5° | 124.5° |
| C16 | C15 | C14 | 131.4° | 134.1° |
| C15 | C16 | H20 | 120.7° | 120.1° |
| C15 | C14 | N5 | 106.3° | 108.5° |
| C15 | C14 | O5 | 129.7° | 125.8° |
| O4 | C11 | N4 | 123.4° | 120.0° |
| O4 | C11 | C10 | 114.7° | 120.0° |
| N3 | C8 | C6 | 114.7° | 109.5° |
| C8 | N3 | N6 | 117.0° | 111.0° |
| C8 | N3 | C9 | 122.8° | 111.0° |
| N3 | C8 | H10 | 108.1° | 109.5° |
| N3 | C8 | H11 | 108.1° | 109.4° |
| C8 | C6 | C7 | 108.9° | 109.5° |
| C8 | C6 | N2 | 112.9° | 109.5° |
| C8 | C6 | H8 | 108.3° | 109.5° |
| C6 | C8 | H10 | 108.1° | 109.5° |
| C6 | C8 | H11 | 108.2° | 109.5° |
| C14 | N5 | C13 | 123.7° | 124.4° |
| N5 | C14 | O5 | 124.0° | 125.7° |
| N5 | C13 | C12 | 111.5° | 109.5° |
| N5 | C13 | H18 | 109.0° | 109.5° |
| N5 | C13 | H19 | 108.9° | 109.4° |
| N6 | N3 | C9 | 100.3° | 106.8° |
| N3 | N6 | C22 | 113.7° | 111.5° |
| N3 | N6 | H26 | 108.4° | 124.2° |
| N3 | C9 | C10 | 94.2° | 104.2° |
| N3 | C9 | H12 | 113.1° | 110.4° |
| N3 | C9 | H13 | 113.1° | 110.5° |
| C13 | C12 | N4 | 111.7° | 109.5° |
| C13 | C12 | H16 | 108.9° | 109.5° |
| C13 | C12 | H17 | 108.9° | 109.4° |
| C12 | C13 | H18 | 109.0° | 109.5° |
| C12 | C13 | H19 | 109.0° | 109.5° |
| C12 | N4 | C11 | 122.8° | 120.0° |
| C12 | N4 | H15 | 118.6° | 120.0° |
| N4 | C12 | H16 | 108.9° | 109.5° |
| N4 | C12 | H17 | 108.9° | 109.5° |
| N6 | C22 | C10 | 101.9° | 111.2° |
| N6 | C22 | C23 | 122.2° | 124.4° |
| C22 | N6 | H26 | 108.4° | 124.2° |
| N4 | C11 | C10 | 121.5° | 120.0° |
| C11 | N4 | H15 | 118.6° | 120.0° |
| C11 | C10 | C9 | 124.1° | 126.8° |
| C11 | C10 | C22 | 123.7° | 126.9° |
| C7 | C6 | N2 | 109.3° | 109.5° |
| C6 | C7 | O3 | 121.5° | 120.1° |
| C7 | C6 | H8 | 108.1° | 109.5° |
| C6 | C7 | H9 | 119.2° | 120.0° |
| C6 | N2 | C5 | 122.6° | 120.0° |
| C6 | N2 | H7 | 118.7° | 120.0° |
| N2 | C6 | H8 | 109.3° | 109.5° |
| O9 | C23 | C22 | 116.9° | 120.0° |
| O9 | C23 | O10 | 125.6° | 120.0° |
| O2 | C5 | N2 | 121.4° | 120.0° |
| O2 | C5 | C4 | 120.1° | 120.0° |
| C9 | C10 | C22 | 105.9° | 106.3° |
| C10 | C9 | H12 | 113.1° | 110.5° |
| C10 | C9 | H13 | 113.1° | 110.5° |
| C10 | C22 | C23 | 134.0° | 124.3° |
| C22 | C23 | O10 | 117.5° | 120.0° |
| O3 | C7 | H9 | 119.3° | 120.0° |
| C23 | O10 | H25 | 109.5° | 117.0° |
| N2 | C5 | C4 | 118.3° | 120.0° |
| C5 | N2 | H7 | 118.7° | 120.0° |
| C5 | C4 | N1 | 120.3° | 120.0° |
| C5 | C4 | C24 | 120.9° | 120.0° |
| CL1 | C26 | C24 | 130.3° | 125.8° |
| CL1 | C26 | S1 | 118.9° | 125.9° |
| C1 | C2 | O1 | 106.4° | 109.5° |
| C1 | C2 | C27 | 106.1° | 109.5° |
| C1 | C2 | C3 | 109.9° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | O1 | N1 | 112.5° | 114.0° |
| O1 | C2 | C27 | 112.6° | 109.4° |
| O1 | C2 | C3 | 111.8° | 109.5° |
| O1 | N1 | C4 | 111.4° | 120.0° |
| N1 | C4 | C24 | 118.3° | 120.0° |
| C4 | C24 | C26 | 125.6° | 122.5° |
| C4 | C24 | N7 | 119.8° | 122.4° |
| O11 | C27 | C2 | 116.6° | 120.1° |
| O11 | C27 | O12 | 125.3° | 120.0° |
| C27 | C2 | C3 | 109.8° | 109.5° |
| C2 | C27 | O12 | 118.1° | 120.0° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.5° |
| C24 | C26 | S1 | 110.7° | 108.2° |
| C26 | C24 | N7 | 114.6° | 115.1° |
| C26 | S1 | C25 | 90.0° | 90.2° |
| C27 | O12 | H29 | 109.5° | 117.0° |
| C24 | N7 | C25 | 109.9° | 116.9° |
| S1 | C25 | N7 | 114.5° | 109.6° |
| S1 | C25 | N8 | 120.9° | 125.2° |
| N7 | C25 | N8 | 124.5° | 125.2° |
| C25 | N8 | H27 | 109.5° | 120.0° |
| C25 | N8 | H28 | 109.4° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 110.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.5° |
| H27 | N8 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C18 | C19 | C17 | 179.7° | 180.0° |
| O7 | C18 | C19 | C20 | 179.4° | 180.0° |
| O7 | C18 | C17 | O6 | 0.1° | 0.1° |
| O7 | C18 | C17 | C16 | 179.8° | 180.0° |
| O7 | C18 | C19 | H23 | 0.6° | 0.0° |
| C18 | C19 | C20 | H23 | 180.0° | 180.0° |
| C19 | C18 | C17 | O6 | 179.6° | 179.9° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | C20 | C21 | 178.9° | 179.7° |
| C18 | C19 | C20 | C15 | 1.0° | 0.0° |
| C19 | C18 | O7 | H22 | 180.0° | 90.0° |
| C17 | C18 | C19 | C20 | 0.9° | 0.0° |
| C18 | C17 | O6 | C16 | 179.8° | 179.9° |
| C18 | C17 | C16 | C15 | 0.5° | 0.0° |
| C18 | C17 | C16 | H20 | 179.5° | 180.0° |
| C18 | C17 | O6 | H21 | 180.0° | 89.9° |
| C17 | C18 | O7 | H22 | 0.3° | 90.0° |
| C17 | C18 | C19 | H23 | 179.1° | 180.0° |
| C19 | C20 | C21 | O8 | 3.0° | 0.1° |
| C19 | C20 | C21 | C15 | 178.1° | 179.7° |
| C19 | C20 | C21 | N5 | 179.4° | 179.9° |
| C19 | C20 | C15 | C16 | 0.4° | 0.0° |
| C19 | C20 | C15 | C14 | 178.9° | 180.0° |
| O8 | C21 | C20 | N5 | 176.4° | 179.9° |
| O8 | C21 | C20 | C15 | 175.1° | 179.7° |
| O8 | C21 | N5 | C14 | 175.0° | 179.6° |
| O8 | C21 | N5 | C13 | 0.9° | 0.0° |
| O6 | C17 | C16 | C15 | 179.7° | 179.9° |
| O6 | C17 | C16 | H20 | 0.3° | 0.1° |
| C17 | C16 | C15 | C20 | 0.4° | 0.0° |
| C17 | C16 | C15 | H20 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C16 | C17 | O6 | H21 | 0.2° | 90.0° |
| C21 | C20 | C15 | C16 | 178.6° | 179.8° |
| C21 | C20 | C15 | C14 | 0.6° | 0.2° |
| C20 | C21 | N5 | C14 | 1.6° | 0.4° |
| C20 | C21 | N5 | C13 | 177.5° | 179.9° |
| C21 | C20 | C19 | H23 | 1.2° | 0.3° |
| C15 | C20 | C21 | N5 | 1.4° | 0.4° |
| C20 | C15 | C16 | C14 | 179.1° | 180.0° |
| C20 | C15 | C14 | N5 | 0.3° | 0.0° |
| C20 | C15 | C14 | O5 | 177.5° | 180.0° |
| C20 | C15 | C16 | H20 | 179.6° | 180.0° |
| C15 | C20 | C19 | H23 | 179.0° | 180.0° |
| C21 | N5 | C14 | C15 | 1.3° | 0.3° |
| C21 | N5 | C14 | C13 | 175.9° | 179.7° |
| C21 | N5 | C13 | C12 | 91.5° | 90.3° |
| C21 | N5 | C14 | O5 | 176.7° | 179.7° |
| C21 | N5 | C13 | H18 | 148.1° | 149.6° |
| C21 | N5 | C13 | H19 | 28.7° | 29.6° |
| C16 | C15 | C14 | N5 | 179.5° | 180.0° |
| C16 | C15 | C14 | O5 | 1.7° | 0.0° |
| C15 | C14 | N5 | O5 | 178.0° | 180.0° |
| C15 | C14 | N5 | C13 | 177.2° | 179.9° |
| C14 | C15 | C16 | H20 | 0.5° | 0.1° |
| O4 | C11 | N4 | C12 | 12.3° | 0.0° |
| O4 | C11 | N4 | C10 | 172.5° | 180.0° |
| O4 | C11 | C10 | C9 | 33.8° | 173.6° |
| O4 | C11 | C10 | C22 | 114.5° | 6.4° |
| O4 | C11 | N4 | H15 | 167.7° | 180.0° |
| N3 | C8 | C6 | H10 | 120.8° | 120.1° |
| N3 | C8 | C6 | H11 | 120.8° | 120.0° |
| C8 | N3 | N6 | C9 | 135.2° | 121.1° |
| C8 | N3 | N6 | C22 | 156.7° | 121.1° |
| N3 | C8 | C6 | C7 | 45.0° | 175.0° |
| N3 | C8 | C6 | N2 | 76.6° | 55.0° |
| C8 | N3 | C9 | C10 | 170.3° | 121.1° |
| N3 | C8 | C6 | H8 | 162.3° | 65.0° |
| N3 | C8 | H10 | H11 | 117.6° | 119.9° |
| C8 | N3 | C9 | H12 | 72.3° | 120.2° |
| C8 | N3 | C9 | H13 | 52.9° | 2.4° |
| C8 | N3 | N6 | H26 | 36.1° | 58.9° |
| C6 | C8 | N3 | N6 | 53.7° | 64.8° |
| C6 | C8 | N3 | C9 | 70.7° | 176.6° |
| C8 | C6 | C7 | N2 | 123.7° | 120.0° |
| C8 | C6 | C7 | H8 | 117.4° | 120.0° |
| C8 | C6 | N2 | H8 | 120.5° | 120.0° |
| C8 | C6 | C7 | O3 | 137.3° | 119.9° |
| C8 | C6 | N2 | C5 | 84.0° | 155.0° |
| C8 | C6 | N2 | H7 | 96.0° | 25.0° |
| C8 | C6 | C7 | H9 | 42.7° | 60.0° |
| C6 | C8 | H10 | H11 | 117.6° | 120.0° |
| C14 | N5 | C13 | C12 | 83.9° | 90.1° |
| C14 | N5 | C13 | H18 | 36.4° | 30.0° |
| C14 | N5 | C13 | H19 | 155.8° | 150.0° |
| N5 | C13 | C12 | H18 | 120.3° | 120.0° |
| N5 | C13 | C12 | H19 | 120.3° | 119.9° |
| N5 | C13 | C12 | N4 | 174.4° | 180.0° |
| C13 | N5 | C14 | O5 | 0.8° | 0.1° |
| N5 | C13 | C12 | H16 | 65.2° | 60.0° |
| N5 | C13 | C12 | H17 | 54.1° | 60.0° |
| N5 | C13 | H18 | H19 | 119.1° | 120.0° |
| N3 | N6 | C22 | H26 | 120.6° | 180.0° |
| N6 | N3 | C9 | C10 | 38.6° | 0.0° |
| N3 | N6 | C22 | C10 | 9.9° | 0.0° |
| N3 | N6 | C22 | C23 | 176.1° | 179.9° |
| N6 | N3 | C8 | H10 | 174.5° | 175.1° |
| N6 | N3 | C8 | H11 | 67.1° | 55.2° |
| N6 | N3 | C9 | H12 | 156.0° | 118.7° |
| N6 | N3 | C9 | H13 | 78.8° | 118.7° |
| C9 | N3 | N6 | C22 | 21.5° | 0.0° |
| N3 | C9 | C10 | C11 | 104.0° | 180.0° |
| N3 | C9 | C10 | H12 | 117.4° | 118.7° |
| N3 | C9 | C10 | H13 | 117.4° | 118.7° |
| N3 | C9 | C10 | C22 | 49.0° | 0.0° |
| C9 | N3 | C8 | H10 | 50.0° | 56.5° |
| C9 | N3 | C8 | H11 | 168.5° | 63.4° |
| N3 | C9 | H12 | H13 | 127.2° | 122.5° |
| C9 | N3 | N6 | H26 | 99.1° | 180.0° |
| C13 | C12 | N4 | H16 | 120.3° | 120.0° |
| C13 | C12 | N4 | H17 | 120.3° | 120.0° |
| C13 | C12 | N4 | C11 | 95.3° | 180.0° |
| C13 | C12 | N4 | H15 | 84.7° | 0.0° |
| C13 | C12 | H16 | H17 | 119.0° | 120.0° |
| C12 | C13 | H18 | H19 | 119.1° | 120.0° |
| C12 | N4 | C11 | H15 | 180.0° | 180.0° |
| C12 | N4 | C11 | C10 | 160.1° | 180.0° |
| N4 | C12 | H16 | H17 | 119.0° | 120.0° |
| N4 | C12 | C13 | H18 | 54.1° | 60.0° |
| N4 | C12 | C13 | H19 | 65.3° | 60.0° |
| N6 | C22 | C10 | C11 | 115.8° | 180.0° |
| N6 | C22 | C23 | O9 | 35.1° | 173.8° |
| N6 | C22 | C10 | C9 | 37.3° | 0.0° |
| N6 | C22 | C10 | C23 | 163.7° | 179.9° |
| N6 | C22 | C23 | O10 | 146.7° | 6.2° |
| N4 | C11 | C10 | C9 | 153.2° | 6.4° |
| N4 | C11 | C10 | C22 | 58.5° | 173.6° |
| C11 | N4 | C12 | H16 | 25.0° | 60.0° |
| C11 | N4 | C12 | H17 | 144.4° | 60.0° |
| C11 | C10 | C9 | C22 | 153.0° | 180.0° |
| C11 | C10 | C22 | C23 | 47.9° | 0.1° |
| C11 | C10 | C9 | H12 | 13.4° | 61.3° |
| C11 | C10 | C9 | H13 | 138.6° | 61.3° |
| C10 | C11 | N4 | H15 | 19.9° | 0.0° |
| C7 | C6 | N2 | H8 | 118.1° | 120.0° |
| C6 | C7 | O3 | H9 | 180.0° | 179.9° |
| C7 | C6 | N2 | C5 | 154.7° | 85.0° |
| C7 | C6 | N2 | H7 | 25.4° | 95.0° |
| C7 | C6 | C8 | H10 | 165.7° | 55.0° |
| C7 | C6 | C8 | H11 | 75.8° | 65.0° |
| C6 | N2 | C5 | O2 | 18.8° | 4.9° |
| N2 | C6 | C7 | O3 | 13.5° | 0.1° |
| C6 | N2 | C5 | H7 | 180.0° | 180.0° |
| C6 | N2 | C5 | C4 | 165.6° | 175.0° |
| N2 | C6 | C7 | H9 | 166.5° | 180.0° |
| N2 | C6 | C8 | H10 | 44.2° | 65.0° |
| N2 | C6 | C8 | H11 | 162.6° | 175.0° |
| O9 | C23 | C22 | C10 | 126.0° | 6.3° |
| O9 | C23 | C22 | O10 | 178.2° | 179.9° |
| O9 | C23 | O10 | H25 | 0.0° | 0.1° |
| O2 | C5 | N2 | C4 | 175.5° | 180.0° |
| O2 | C5 | C4 | N1 | 93.5° | 5.7° |
| O2 | C5 | C4 | C24 | 94.8° | 174.2° |
| O2 | C5 | N2 | H7 | 161.2° | 175.1° |
| C9 | C10 | C22 | C23 | 159.0° | 179.9° |
| C10 | C9 | H12 | H13 | 127.2° | 122.6° |
| C10 | C22 | C23 | O10 | 52.2° | 173.8° |
| C22 | C10 | C9 | H12 | 166.4° | 118.7° |
| C22 | C10 | C9 | H13 | 68.4° | 118.7° |
| C10 | C22 | N6 | H26 | 130.5° | 180.0° |
| C22 | C23 | O10 | H25 | 178.1° | 180.0° |
| C23 | C22 | N6 | H26 | 63.3° | 0.1° |
| O3 | C7 | C6 | H8 | 105.3° | 120.1° |
| N2 | C5 | C4 | N1 | 82.1° | 174.2° |
| N2 | C5 | C4 | C24 | 89.6° | 5.8° |
| C5 | N2 | C6 | H8 | 36.5° | 35.0° |
| C5 | C4 | N1 | O1 | 9.2° | 5.1° |
| C5 | C4 | N1 | C24 | 171.9° | 180.0° |
| C5 | C4 | C24 | C26 | 4.3° | 174.2° |
| C5 | C4 | C24 | N7 | 174.3° | 6.1° |
| C4 | C5 | N2 | H7 | 14.4° | 5.0° |
| CL1 | C26 | C24 | C4 | 3.3° | 0.0° |
| CL1 | C26 | C24 | S1 | 178.5° | 179.9° |
| CL1 | C26 | C24 | N7 | 175.3° | 179.7° |
| CL1 | C26 | S1 | C25 | 174.4° | 179.8° |
| C1 | C2 | O1 | C27 | 115.8° | 120.0° |
| C1 | C2 | O1 | C3 | 120.0° | 120.0° |
| C1 | C2 | O1 | N1 | 175.7° | 60.0° |
| C1 | C2 | C27 | O11 | 97.2° | 120.0° |
| C1 | C2 | C27 | C3 | 118.7° | 120.0° |
| C1 | C2 | C27 | O12 | 82.1° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 180.0° | 60.1° |
| C1 | C2 | C3 | H5 | 60.0° | 180.0° |
| C1 | C2 | C3 | H6 | 60.0° | 60.0° |
| C2 | O1 | N1 | C4 | 168.0° | 180.0° |
| O1 | C2 | C27 | O11 | 18.8° | 0.0° |
| O1 | C2 | C27 | C3 | 125.3° | 120.0° |
| O1 | C2 | C27 | O12 | 161.9° | 180.0° |
| O1 | C2 | C1 | H1 | 180.0° | 60.0° |
| O1 | C2 | C1 | H2 | 60.0° | 60.0° |
| O1 | C2 | C1 | H3 | 60.0° | 180.0° |
| O1 | C2 | C3 | H4 | 62.0° | 59.9° |
| O1 | C2 | C3 | H5 | 58.0° | 60.0° |
| O1 | C2 | C3 | H6 | 177.9° | 180.0° |
| O1 | N1 | C4 | C24 | 178.9° | 174.8° |
| N1 | O1 | C2 | C27 | 68.5° | 180.0° |
| N1 | O1 | C2 | C3 | 55.7° | 60.0° |
| N1 | C4 | C24 | C26 | 167.6° | 5.8° |
| N1 | C4 | C24 | N7 | 13.9° | 173.9° |
| C4 | C24 | C26 | N7 | 178.6° | 179.7° |
| C4 | C24 | C26 | S1 | 178.2° | 179.9° |
| C4 | C24 | N7 | C25 | 178.3° | 180.0° |
| O11 | C27 | C2 | O12 | 179.3° | 180.0° |
| O11 | C27 | C2 | C3 | 144.1° | 120.0° |
| O11 | C27 | O12 | H29 | 0.0° | 0.0° |
| C27 | C2 | C1 | H1 | 59.9° | 60.0° |
| C27 | C2 | C1 | H2 | 179.9° | 180.0° |
| C27 | C2 | C1 | H3 | 60.1° | 60.0° |
| C27 | C2 | C3 | H4 | 63.7° | 179.9° |
| C27 | C2 | C3 | H5 | 176.3° | 60.0° |
| C27 | C2 | C3 | H6 | 56.4° | 60.0° |
| C2 | C27 | O12 | H29 | 179.3° | 180.0° |
| C3 | C2 | C27 | O12 | 36.6° | 60.0° |
| C3 | C2 | C1 | H1 | 58.7° | 180.0° |
| C3 | C2 | C1 | H2 | 61.3° | 60.0° |
| C3 | C2 | C1 | H3 | 178.7° | 60.0° |
| C2 | C3 | H4 | H5 | 120.0° | 120.0° |
| C2 | C3 | H4 | H6 | 120.0° | 120.0° |
| C2 | C3 | H5 | H6 | 120.0° | 120.0° |
| C24 | C26 | S1 | C25 | 4.2° | 0.3° |
| C26 | C24 | N7 | C25 | 0.4° | 0.3° |
| S1 | C26 | C24 | N7 | 3.1° | 0.4° |
| C26 | S1 | C25 | N7 | 4.7° | 0.2° |
| C26 | S1 | C25 | N8 | 177.3° | 179.8° |
| C24 | N7 | C25 | S1 | 3.7° | 0.0° |
| C24 | N7 | C25 | N8 | 178.5° | 180.0° |
| S1 | C25 | N7 | N8 | 177.8° | 179.9° |
| S1 | C25 | N8 | H27 | 0.0° | 179.9° |
| S1 | C25 | N8 | H28 | 120.0° | 0.0° |
| N7 | C25 | N8 | H27 | 177.7° | 0.0° |
| N7 | C25 | N8 | H28 | 57.7° | 180.0° |
| C25 | N8 | H27 | H28 | 120.0° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | N2 | C6 | H8 | 143.5° | 145.0° |
| H8 | C6 | C7 | H9 | 74.7° | 60.0° |
| H8 | C6 | C8 | H10 | 76.9° | 175.0° |
| H8 | C6 | C8 | H11 | 41.5° | 55.0° |
| H15 | N4 | C12 | H16 | 154.9° | 120.0° |
| H15 | N4 | C12 | H17 | 35.6° | 120.0° |
| H16 | C12 | C13 | H18 | 174.4° | 180.0° |
| H16 | C12 | C13 | H19 | 55.0° | 60.0° |
| H17 | C12 | C13 | H18 | 66.2° | 60.0° |
| H17 | C12 | C13 | H19 | 174.4° | 180.0° |
