4VH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | O6 | sing | 1.43Å | 1.39Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O4 | C4 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.49Å | |
| C5 | O5 | sing | 1.43Å | 1.45Å | |
| O5 | C1 | sing | 1.43Å | 1.41Å | |
| O3 | C3 | sing | 1.43Å | 1.40Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | S1 | sing | 1.81Å | 1.80Å | |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| S1 | C7 | sing | 1.76Å | 1.76Å | |
| O9 | C23 | doub | 1.21Å | 1.23Å | |
| C14 | N1 | sing | 1.47Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.47Å | |
| C7 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C25 | O10 | sing | 1.36Å | 1.36Å | |
| C10 | C13 | sing | 1.48Å | 1.51Å | |
| C10 | C11 | doub | 1.40Å | 1.39Å | Aromatic |
| N1 | C13 | sing | 1.35Å | 1.35Å | |
| C23 | N5 | sing | 1.35Å | 1.34Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| N5 | C19 | sing | 1.46Å | 1.46Å | |
| C13 | O13 | doub | 1.22Å | 1.23Å | |
| C12 | C11 | sing | 1.37Å | 1.38Å | Aromatic |
| O10 | C24 | sing | 1.43Å | 1.43Å | |
| C15 | N2 | sing | 1.46Å | 1.45Å | |
| O8 | C22 | sing | 1.43Å | 1.43Å | |
| C16 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.36Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| N2 | N4 | sing | 1.29Å | 1.35Å | Aromatic |
| O7 | C20 | doub | 1.21Å | 1.23Å | |
| C20 | N6 | sing | 1.35Å | 1.33Å | |
| C17 | C18 | sing | 1.51Å | 1.48Å | |
| C17 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| N4 | N3 | doub | 1.29Å | 1.32Å | Aromatic |
| N6 | C21 | sing | 1.47Å | 1.46Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| O8 | H31 | sing | 0.97Å | 0.95Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.08Å | 1.08Å | |
| C27 | H35 | sing | 1.08Å | 1.08Å | |
| C28 | H36 | sing | 1.08Å | 1.08Å | |
| C29 | H37 | sing | 1.08Å | 1.08Å | |
| C30 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C6 | C5 | 115.9° | 109.5° |
| O6 | C6 | H6 | 107.8° | 109.5° |
| O6 | C6 | H7 | 107.8° | 109.5° |
| C6 | O6 | H10 | 109.5° | 114.0° |
| C6 | C5 | C4 | 114.3° | 109.5° |
| C6 | C5 | O5 | 105.7° | 109.5° |
| C6 | C5 | H1 | 108.2° | 109.5° |
| C5 | C6 | H6 | 107.8° | 109.5° |
| C5 | C6 | H7 | 107.8° | 109.5° |
| O4 | C4 | C5 | 124.9° | 109.5° |
| O4 | C4 | C3 | 101.5° | 109.5° |
| O4 | C4 | H2 | 107.3° | 109.6° |
| C4 | O4 | H8 | 109.5° | 114.0° |
| C5 | C4 | C3 | 108.6° | 109.2° |
| C4 | C5 | O5 | 111.6° | 109.4° |
| C4 | C5 | H1 | 107.8° | 109.5° |
| C5 | C4 | H2 | 106.4° | 109.5° |
| C4 | C3 | O3 | 110.1° | 109.5° |
| C4 | C3 | C2 | 111.7° | 109.0° |
| C3 | C4 | H2 | 107.0° | 109.6° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C5 | O5 | C1 | 113.4° | 114.1° |
| O5 | C5 | H1 | 109.1° | 109.5° |
| O5 | C1 | C2 | 109.0° | 109.4° |
| O5 | C1 | S1 | 109.1° | 109.5° |
| O5 | C1 | H5 | 112.1° | 109.5° |
| O3 | C3 | C2 | 107.3° | 109.6° |
| O3 | C3 | H3 | 110.2° | 109.6° |
| C3 | O3 | H9 | 109.5° | 114.0° |
| C3 | C2 | C1 | 107.1° | 109.2° |
| C3 | C2 | O2 | 106.8° | 109.5° |
| C2 | C3 | H3 | 108.5° | 109.6° |
| C3 | C2 | H4 | 109.1° | 109.5° |
| C1 | C2 | O2 | 114.0° | 109.5° |
| C2 | C1 | S1 | 108.9° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.6° |
| C2 | C1 | H5 | 110.7° | 109.5° |
| O2 | C2 | H4 | 110.3° | 109.6° |
| C2 | O2 | H11 | 109.5° | 114.0° |
| C1 | S1 | C7 | 100.8° | 103.0° |
| S1 | C1 | H5 | 107.0° | 109.5° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C27 | C28 | C29 | 120.6° | 120.1° |
| C28 | C27 | H35 | 119.9° | 119.9° |
| C27 | C28 | H36 | 119.7° | 119.9° |
| C27 | C26 | C25 | 118.8° | 120.0° |
| C27 | C26 | H34 | 120.6° | 120.0° |
| C26 | C27 | H35 | 119.9° | 120.1° |
| C28 | C29 | C30 | 120.3° | 120.0° |
| C29 | C28 | H36 | 119.7° | 119.9° |
| C28 | C29 | H37 | 119.8° | 120.0° |
| C9 | C8 | C7 | 120.8° | 120.0° |
| C8 | C9 | C10 | 120.5° | 120.0° |
| C9 | C8 | H12 | 119.6° | 120.0° |
| C8 | C9 | H13 | 119.8° | 120.0° |
| C8 | C7 | S1 | 130.0° | 119.9° |
| C8 | C7 | C12 | 118.6° | 120.2° |
| C7 | C8 | H12 | 119.6° | 120.0° |
| C26 | C25 | C30 | 121.4° | 119.8° |
| C26 | C25 | O10 | 116.1° | 120.1° |
| C25 | C26 | H34 | 120.6° | 120.0° |
| C9 | C10 | C13 | 124.1° | 120.1° |
| C9 | C10 | C11 | 118.1° | 119.9° |
| C10 | C9 | H13 | 119.7° | 120.0° |
| S1 | C7 | C12 | 111.3° | 119.9° |
| O9 | C23 | N5 | 124.0° | 120.0° |
| O9 | C23 | C24 | 117.4° | 120.0° |
| N1 | C14 | C15 | 108.6° | 109.5° |
| C14 | N1 | C13 | 121.5° | 119.9° |
| C14 | N1 | H16 | 119.3° | 120.0° |
| N1 | C14 | H17 | 109.7° | 109.5° |
| N1 | C14 | H18 | 109.7° | 109.5° |
| C14 | C15 | N2 | 107.5° | 109.5° |
| C15 | C14 | H17 | 109.7° | 109.4° |
| C15 | C14 | H18 | 109.7° | 109.5° |
| C14 | C15 | H19 | 109.9° | 109.4° |
| C14 | C15 | H20 | 110.0° | 109.4° |
| C7 | C12 | C11 | 120.5° | 120.0° |
| C7 | C12 | H15 | 119.8° | 120.0° |
| C29 | C30 | C25 | 118.7° | 119.9° |
| C30 | C29 | H37 | 119.9° | 119.9° |
| C29 | C30 | H38 | 120.6° | 120.0° |
| C30 | C25 | O10 | 122.5° | 120.1° |
| C25 | C30 | H38 | 120.7° | 120.0° |
| C25 | O10 | C24 | 119.4° | 117.0° |
| C13 | C10 | C11 | 117.8° | 120.0° |
| C10 | C13 | N1 | 116.7° | 120.0° |
| C10 | C13 | O13 | 121.0° | 120.0° |
| C10 | C11 | C12 | 121.5° | 119.9° |
| C10 | C11 | H14 | 119.3° | 120.1° |
| N1 | C13 | O13 | 121.9° | 120.1° |
| C13 | N1 | H16 | 119.3° | 120.0° |
| N5 | C23 | C24 | 118.4° | 120.0° |
| C23 | N5 | C19 | 125.4° | 120.0° |
| C23 | N5 | H25 | 117.3° | 120.0° |
| C23 | C24 | O10 | 109.9° | 109.5° |
| C23 | C24 | H32 | 109.4° | 109.5° |
| C23 | C24 | H33 | 109.4° | 109.5° |
| N5 | C19 | C20 | 111.4° | 109.5° |
| N5 | C19 | C18 | 113.0° | 109.5° |
| N5 | C19 | H24 | 108.2° | 109.5° |
| C19 | N5 | H25 | 117.3° | 120.0° |
| C12 | C11 | H14 | 119.2° | 120.0° |
| C11 | C12 | H15 | 119.8° | 119.9° |
| O10 | C24 | H32 | 109.3° | 109.5° |
| O10 | C24 | H33 | 109.4° | 109.5° |
| C15 | N2 | C16 | 127.3° | 125.9° |
| C15 | N2 | N4 | 121.1° | 125.8° |
| N2 | C15 | H19 | 110.0° | 109.5° |
| N2 | C15 | H20 | 110.0° | 109.5° |
| O8 | C22 | C21 | 112.7° | 109.5° |
| O8 | C22 | H29 | 108.7° | 109.5° |
| O8 | C22 | H30 | 108.7° | 109.5° |
| C22 | O8 | H31 | 109.5° | 114.0° |
| N2 | C16 | C17 | 104.6° | 106.2° |
| C16 | N2 | N4 | 111.2° | 108.3° |
| N2 | C16 | H21 | 127.7° | 126.9° |
| C16 | C17 | C18 | 129.1° | 126.8° |
| C16 | C17 | N3 | 108.7° | 106.5° |
| C17 | C16 | H21 | 127.7° | 126.9° |
| C20 | C19 | C18 | 109.2° | 109.4° |
| C19 | C20 | O7 | 120.8° | 120.0° |
| C19 | C20 | N6 | 115.4° | 120.0° |
| C20 | C19 | H24 | 107.5° | 109.5° |
| C19 | C18 | C17 | 112.4° | 109.5° |
| C19 | C18 | H22 | 108.7° | 109.5° |
| C19 | C18 | H23 | 108.7° | 109.5° |
| C18 | C19 | H24 | 107.3° | 109.4° |
| N2 | N4 | N3 | 106.6° | 110.1° |
| O7 | C20 | N6 | 123.8° | 120.0° |
| C20 | N6 | C21 | 122.8° | 120.0° |
| C20 | N6 | H26 | 118.7° | 120.0° |
| C18 | C17 | N3 | 122.2° | 126.7° |
| C17 | C18 | H22 | 108.7° | 109.5° |
| C17 | C18 | H23 | 108.7° | 109.4° |
| C17 | N3 | N4 | 108.8° | 108.9° |
| C22 | C21 | N6 | 111.2° | 109.5° |
| C22 | C21 | H27 | 109.0° | 109.5° |
| C22 | C21 | H28 | 109.1° | 109.5° |
| C21 | C22 | H29 | 108.7° | 109.5° |
| C21 | C22 | H30 | 108.7° | 109.5° |
| C21 | N6 | H26 | 118.6° | 119.9° |
| N6 | C21 | H27 | 109.0° | 109.4° |
| N6 | C21 | H28 | 109.0° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H19 | C15 | H20 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.4° |
| H27 | C21 | H28 | 109.4° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.4° |
| H32 | C24 | H33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C6 | C5 | H6 | 120.9° | 120.0° |
| O6 | C6 | C5 | H7 | 120.9° | 120.0° |
| O6 | C6 | C5 | C4 | 168.6° | 175.0° |
| O6 | C6 | C5 | O5 | 68.3° | 65.0° |
| O6 | C6 | C5 | H1 | 48.5° | 55.0° |
| O6 | C6 | H6 | H7 | 117.1° | 120.0° |
| C6 | C5 | C4 | O4 | 50.3° | 57.7° |
| C6 | C5 | C4 | O5 | 119.9° | 120.0° |
| C6 | C5 | C4 | H1 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 169.7° | 177.6° |
| C6 | C5 | O5 | H1 | 116.2° | 120.0° |
| C6 | C5 | O5 | C1 | 178.4° | 178.8° |
| C6 | C5 | C4 | H2 | 75.4° | 62.5° |
| C5 | C6 | H6 | H7 | 117.1° | 120.0° |
| C5 | C6 | O6 | H10 | 180.0° | 180.0° |
| O4 | C4 | C5 | C3 | 119.4° | 119.9° |
| O4 | C4 | C5 | H2 | 125.7° | 120.2° |
| O4 | C4 | C3 | H2 | 112.4° | 120.2° |
| O4 | C4 | C5 | O5 | 69.5° | 62.3° |
| O4 | C4 | C3 | O3 | 39.3° | 57.0° |
| O4 | C4 | C3 | C2 | 79.9° | 62.9° |
| O4 | C4 | C5 | H1 | 170.7° | 177.7° |
| O4 | C4 | C3 | H3 | 160.2° | 177.2° |
| C5 | C4 | C3 | H2 | 114.5° | 119.9° |
| C4 | C5 | O5 | H1 | 119.0° | 120.0° |
| C4 | C5 | O5 | C1 | 56.8° | 61.2° |
| C5 | C4 | C3 | O3 | 172.4° | 176.8° |
| C5 | C4 | C3 | C2 | 53.2° | 57.0° |
| C5 | C4 | C3 | H3 | 66.6° | 62.9° |
| C4 | C5 | C6 | H6 | 70.5° | 55.0° |
| C4 | C5 | C6 | H7 | 47.7° | 65.0° |
| C5 | C4 | O4 | H8 | 180.0° | 180.0° |
| C3 | C4 | C5 | O5 | 49.9° | 57.6° |
| C4 | C3 | O3 | C2 | 121.9° | 119.5° |
| C4 | C3 | O3 | H3 | 120.2° | 120.2° |
| C4 | C3 | C2 | H3 | 120.1° | 119.8° |
| C4 | C3 | C2 | C1 | 60.2° | 57.0° |
| C4 | C3 | C2 | O2 | 177.4° | 176.9° |
| C3 | C4 | C5 | H1 | 69.9° | 62.4° |
| C4 | C3 | C2 | H4 | 58.2° | 62.9° |
| C3 | C4 | O4 | H8 | 57.4° | 60.3° |
| C4 | C3 | O3 | H9 | 180.0° | 180.0° |
| C5 | O5 | C1 | C2 | 63.7° | 61.2° |
| C5 | O5 | C1 | S1 | 177.6° | 178.9° |
| O5 | C5 | C4 | H2 | 164.8° | 177.5° |
| C5 | O5 | C1 | H5 | 59.2° | 58.8° |
| O5 | C5 | C6 | H6 | 52.6° | 175.0° |
| O5 | C5 | C6 | H7 | 170.7° | 55.0° |
| O5 | C1 | C2 | C3 | 63.0° | 57.6° |
| O5 | C1 | C2 | S1 | 118.9° | 120.0° |
| O5 | C1 | C2 | H5 | 123.7° | 120.0° |
| O5 | C1 | C2 | O2 | 179.2° | 177.5° |
| O5 | C1 | S1 | H5 | 121.5° | 120.0° |
| O5 | C1 | S1 | C7 | 66.1° | 65.0° |
| C1 | O5 | C5 | H1 | 62.2° | 58.8° |
| O5 | C1 | C2 | H4 | 55.1° | 62.3° |
| O3 | C3 | C2 | H3 | 119.0° | 120.3° |
| O3 | C3 | C2 | C1 | 178.9° | 176.9° |
| O3 | C3 | C2 | O2 | 56.5° | 63.3° |
| O3 | C3 | C4 | H2 | 73.1° | 63.2° |
| O3 | C3 | C2 | H4 | 62.7° | 56.9° |
| C3 | C2 | C1 | O2 | 117.8° | 119.9° |
| C3 | C2 | C1 | H4 | 118.1° | 120.0° |
| C3 | C2 | O2 | H4 | 118.4° | 120.2° |
| C3 | C2 | C1 | S1 | 178.1° | 177.6° |
| C2 | C3 | C4 | H2 | 167.7° | 176.9° |
| C3 | C2 | C1 | H5 | 60.7° | 62.3° |
| C2 | C3 | O3 | H9 | 58.1° | 60.5° |
| C3 | C2 | O2 | H11 | 180.0° | 180.0° |
| C1 | C2 | O2 | H4 | 123.7° | 120.2° |
| C2 | C1 | S1 | H5 | 119.7° | 120.1° |
| C2 | C1 | S1 | C7 | 175.1° | 175.1° |
| C1 | C2 | C3 | H3 | 59.9° | 62.8° |
| C1 | C2 | O2 | H11 | 62.0° | 60.3° |
| O2 | C2 | C1 | S1 | 60.3° | 62.5° |
| O2 | C2 | C3 | H3 | 62.5° | 57.0° |
| O2 | C2 | C1 | H5 | 57.1° | 57.6° |
| C1 | S1 | C7 | C8 | 5.6° | 0.3° |
| C1 | S1 | C7 | C12 | 173.3° | 180.0° |
| S1 | C1 | C2 | H4 | 63.8° | 57.6° |
| C28 | C27 | C26 | H35 | 180.0° | 180.0° |
| C27 | C28 | C29 | H36 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.2° | 0.0° |
| C27 | C28 | C29 | C30 | 0.8° | 0.1° |
| C28 | C27 | C26 | H34 | 179.8° | 180.0° |
| C27 | C28 | C29 | H37 | 179.2° | 180.0° |
| C26 | C27 | C28 | C29 | 0.3° | 0.0° |
| C27 | C26 | C25 | H34 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.9° | 0.0° |
| C27 | C26 | C25 | O10 | 179.9° | 179.7° |
| C26 | C27 | C28 | H36 | 179.7° | 180.0° |
| C28 | C29 | C30 | H37 | 180.0° | 179.9° |
| C28 | C29 | C30 | C25 | 1.9° | 0.1° |
| C29 | C28 | C27 | H35 | 179.7° | 180.0° |
| C28 | C29 | C30 | H38 | 178.1° | 179.7° |
| C9 | C8 | C7 | H12 | 180.0° | 179.9° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C9 | C8 | C7 | S1 | 176.6° | 180.0° |
| C9 | C8 | C7 | C12 | 2.3° | 0.2° |
| C8 | C9 | C10 | C13 | 179.5° | 180.0° |
| C8 | C9 | C10 | C11 | 2.6° | 0.0° |
| C7 | C8 | C9 | C10 | 3.0° | 0.0° |
| C8 | C7 | S1 | C12 | 179.0° | 179.8° |
| C8 | C7 | C12 | C11 | 1.5° | 0.5° |
| C7 | C8 | C9 | H13 | 177.0° | 180.0° |
| C8 | C7 | C12 | H15 | 178.5° | 179.7° |
| C26 | C25 | C30 | C29 | 2.0° | 0.1° |
| C26 | C25 | C30 | O10 | 178.9° | 179.7° |
| C26 | C25 | O10 | C24 | 178.3° | 0.3° |
| C25 | C26 | C27 | H35 | 179.8° | 180.0° |
| C26 | C25 | C30 | H38 | 178.0° | 179.7° |
| C9 | C10 | C13 | C11 | 176.9° | 180.0° |
| C9 | C10 | C13 | N1 | 133.3° | 180.0° |
| C9 | C10 | C13 | O13 | 40.0° | 0.0° |
| C9 | C10 | C11 | C12 | 1.7° | 0.3° |
| C10 | C9 | C8 | H12 | 177.0° | 180.0° |
| C9 | C10 | C11 | H14 | 178.3° | 180.0° |
| S1 | C7 | C12 | C11 | 177.6° | 179.7° |
| C7 | S1 | C1 | H5 | 55.3° | 55.0° |
| S1 | C7 | C8 | H12 | 3.5° | 0.0° |
| S1 | C7 | C12 | H15 | 2.4° | 0.0° |
| O9 | C23 | N5 | C24 | 175.4° | 180.0° |
| O9 | C23 | N5 | C19 | 138.7° | 0.0° |
| O9 | C23 | C24 | O10 | 34.0° | 0.0° |
| O9 | C23 | N5 | H25 | 41.3° | 180.0° |
| O9 | C23 | C24 | H32 | 154.1° | 120.0° |
| O9 | C23 | C24 | H33 | 86.1° | 120.0° |
| N1 | C14 | C15 | H17 | 119.8° | 120.0° |
| N1 | C14 | C15 | H18 | 119.9° | 120.0° |
| C14 | N1 | C13 | C10 | 146.8° | 180.0° |
| C14 | N1 | C13 | H16 | 180.0° | 180.0° |
| C14 | N1 | C13 | O13 | 26.4° | 0.0° |
| N1 | C14 | C15 | N2 | 53.6° | 180.0° |
| N1 | C14 | H17 | H18 | 120.4° | 120.0° |
| N1 | C14 | C15 | H19 | 66.2° | 60.0° |
| N1 | C14 | C15 | H20 | 173.3° | 60.0° |
| C15 | C14 | N1 | C13 | 95.1° | 180.0° |
| C14 | C15 | N2 | H19 | 119.7° | 120.0° |
| C14 | C15 | N2 | H20 | 119.7° | 120.0° |
| C14 | C15 | N2 | C16 | 82.8° | 125.3° |
| C14 | C15 | N2 | N4 | 89.2° | 55.0° |
| C15 | C14 | N1 | H16 | 84.8° | 0.0° |
| C15 | C14 | H17 | H18 | 120.4° | 120.0° |
| C14 | C15 | H19 | H20 | 120.9° | 119.9° |
| C7 | C12 | C11 | C10 | 1.2° | 0.6° |
| C7 | C12 | C11 | H15 | 180.0° | 179.8° |
| C12 | C7 | C8 | H12 | 177.6° | 179.8° |
| C7 | C12 | C11 | H14 | 178.8° | 179.8° |
| C29 | C30 | C25 | H38 | 180.0° | 179.8° |
| C29 | C30 | C25 | O10 | 179.1° | 179.8° |
| C30 | C29 | C28 | H36 | 179.2° | 180.0° |
| C30 | C25 | O10 | C24 | 0.6° | 180.0° |
| C30 | C25 | C26 | H34 | 179.1° | 180.0° |
| C25 | C30 | C29 | H37 | 178.1° | 180.0° |
| C25 | O10 | C24 | C23 | 107.4° | 180.0° |
| C25 | O10 | C24 | H32 | 12.7° | 60.0° |
| C25 | O10 | C24 | H33 | 132.5° | 60.0° |
| O10 | C25 | C26 | H34 | 0.1° | 0.3° |
| O10 | C25 | C30 | H38 | 0.9° | 0.0° |
| C10 | C13 | N1 | O13 | 173.2° | 180.0° |
| C13 | C10 | C11 | C12 | 178.9° | 179.7° |
| C13 | C10 | C9 | H13 | 0.5° | 0.0° |
| C13 | C10 | C11 | H14 | 1.1° | 0.1° |
| C10 | C13 | N1 | H16 | 33.2° | 0.0° |
| C11 | C10 | C13 | N1 | 43.6° | 0.0° |
| C11 | C10 | C13 | O13 | 143.1° | 180.0° |
| C10 | C11 | C12 | H14 | 180.0° | 179.7° |
| C11 | C10 | C9 | H13 | 177.4° | 180.0° |
| C10 | C11 | C12 | H15 | 178.8° | 179.7° |
| C13 | N1 | C14 | H17 | 24.7° | 60.0° |
| C13 | N1 | C14 | H18 | 145.0° | 60.0° |
| C23 | N5 | C19 | H25 | 180.0° | 180.0° |
| N5 | C23 | C24 | O10 | 141.8° | 180.0° |
| C23 | N5 | C19 | C20 | 76.7° | 85.0° |
| C23 | N5 | C19 | C18 | 46.7° | 155.0° |
| C23 | N5 | C19 | H24 | 165.3° | 35.0° |
| N5 | C23 | C24 | H32 | 21.7° | 60.0° |
| N5 | C23 | C24 | H33 | 98.1° | 60.0° |
| C24 | C23 | N5 | C19 | 45.8° | 180.0° |
| C23 | C24 | O10 | H32 | 120.1° | 120.0° |
| C23 | C24 | O10 | H33 | 120.1° | 120.0° |
| C24 | C23 | N5 | H25 | 134.2° | 0.0° |
| C23 | C24 | H32 | H33 | 119.8° | 120.0° |
| N5 | C19 | C20 | C18 | 125.5° | 120.0° |
| N5 | C19 | C20 | H24 | 118.4° | 120.0° |
| N5 | C19 | C18 | H24 | 119.2° | 120.0° |
| N5 | C19 | C20 | O7 | 22.3° | 0.0° |
| N5 | C19 | C20 | N6 | 158.4° | 180.0° |
| N5 | C19 | C18 | C17 | 79.1° | 65.0° |
| N5 | C19 | C18 | H22 | 41.3° | 175.0° |
| N5 | C19 | C18 | H23 | 160.5° | 55.0° |
| O13 | C13 | N1 | H16 | 153.6° | 180.0° |
| O10 | C24 | H32 | H33 | 119.8° | 120.0° |
| C15 | N2 | C16 | N4 | 172.7° | 179.8° |
| C15 | N2 | C16 | C17 | 176.6° | 180.0° |
| C15 | N2 | N4 | N3 | 176.6° | 179.8° |
| N2 | C15 | C14 | H17 | 173.4° | 60.0° |
| N2 | C15 | C14 | H18 | 66.3° | 60.0° |
| N2 | C15 | H19 | H20 | 120.9° | 120.0° |
| C15 | N2 | C16 | H21 | 3.4° | 0.0° |
| O8 | C22 | C21 | H29 | 120.5° | 120.0° |
| O8 | C22 | C21 | H30 | 120.5° | 120.0° |
| O8 | C22 | C21 | N6 | 98.1° | 65.0° |
| O8 | C22 | C21 | H27 | 22.1° | 55.0° |
| O8 | C22 | C21 | H28 | 141.6° | 175.0° |
| O8 | C22 | H29 | H30 | 118.5° | 120.0° |
| N2 | C16 | C17 | H21 | 180.0° | 179.9° |
| N2 | C16 | C17 | C18 | 176.3° | 180.0° |
| N2 | C16 | C17 | N3 | 2.9° | 0.0° |
| C16 | N2 | N4 | N3 | 3.4° | 0.5° |
| C16 | N2 | C15 | H19 | 157.5° | 5.2° |
| C16 | N2 | C15 | H20 | 36.8° | 114.7° |
| C16 | C17 | C18 | C19 | 74.8° | 124.9° |
| C17 | C16 | N2 | N4 | 3.9° | 0.3° |
| C16 | C17 | C18 | N3 | 179.1° | 180.0° |
| C16 | C17 | N3 | N4 | 0.9° | 0.3° |
| C16 | C17 | C18 | H22 | 45.7° | 115.0° |
| C16 | C17 | C18 | H23 | 164.8° | 5.0° |
| C20 | C19 | C18 | H24 | 116.3° | 120.0° |
| C19 | C20 | O7 | N6 | 179.3° | 180.0° |
| C20 | C19 | C18 | C17 | 156.3° | 175.0° |
| C19 | C20 | N6 | C21 | 149.2° | 180.0° |
| C20 | C19 | C18 | H22 | 83.2° | 55.0° |
| C20 | C19 | C18 | H23 | 35.9° | 65.0° |
| C20 | C19 | N5 | H25 | 103.3° | 95.0° |
| C19 | C20 | N6 | H26 | 30.8° | 0.0° |
| C18 | C19 | C20 | O7 | 103.2° | 120.0° |
| C18 | C19 | C20 | N6 | 76.1° | 60.0° |
| C19 | C18 | C17 | H22 | 120.4° | 120.1° |
| C19 | C18 | C17 | H23 | 120.4° | 120.0° |
| C19 | C18 | C17 | N3 | 106.1° | 55.1° |
| C19 | C18 | H22 | H23 | 118.7° | 120.0° |
| C18 | C19 | N5 | H25 | 133.3° | 25.0° |
| N2 | N4 | N3 | C17 | 1.4° | 0.5° |
| N4 | N2 | C15 | H19 | 30.5° | 175.0° |
| N4 | N2 | C15 | H20 | 151.1° | 65.0° |
| N4 | N2 | C16 | H21 | 176.1° | 179.8° |
| O7 | C20 | N6 | C21 | 31.5° | 0.0° |
| O7 | C20 | C19 | H24 | 140.7° | 120.0° |
| O7 | C20 | N6 | H26 | 148.5° | 180.0° |
| C20 | N6 | C21 | C22 | 100.6° | 180.0° |
| C20 | N6 | C21 | H26 | 180.0° | 180.0° |
| N6 | C20 | C19 | H24 | 40.0° | 59.9° |
| C20 | N6 | C21 | H27 | 19.7° | 60.0° |
| C20 | N6 | C21 | H28 | 139.1° | 60.0° |
| C18 | C17 | N3 | N4 | 178.3° | 179.7° |
| C18 | C17 | C16 | H21 | 3.7° | 0.1° |
| C17 | C18 | H22 | H23 | 118.7° | 119.9° |
| C17 | C18 | C19 | H24 | 40.1° | 55.0° |
| N3 | C17 | C16 | H21 | 177.1° | 179.9° |
| N3 | C17 | C18 | H22 | 133.5° | 65.0° |
| N3 | C17 | C18 | H23 | 14.3° | 175.0° |
| C22 | C21 | N6 | H27 | 120.3° | 120.0° |
| C22 | C21 | N6 | H28 | 120.3° | 120.0° |
| C22 | C21 | N6 | H26 | 79.4° | 0.0° |
| C22 | C21 | H27 | H28 | 119.2° | 120.1° |
| C21 | C22 | H29 | H30 | 118.5° | 120.0° |
| C21 | C22 | O8 | H31 | 180.0° | 180.0° |
| N6 | C21 | H27 | H28 | 119.2° | 119.9° |
| N6 | C21 | C22 | H29 | 141.4° | 175.0° |
| N6 | C21 | C22 | H30 | 22.3° | 55.0° |
| H1 | C5 | C4 | H2 | 45.0° | 57.6° |
| H1 | C5 | C6 | H6 | 169.4° | 65.0° |
| H1 | C5 | C6 | H7 | 72.5° | 175.0° |
| H2 | C4 | C3 | H3 | 47.9° | 57.0° |
| H2 | C4 | O4 | H8 | 54.7° | 59.9° |
| H3 | C3 | C2 | H4 | 178.3° | 177.2° |
| H3 | C3 | O3 | H9 | 59.8° | 59.8° |
| H4 | C2 | C1 | H5 | 178.8° | 177.7° |
| H4 | C2 | O2 | H11 | 61.6° | 59.9° |
| H6 | C6 | O6 | H10 | 59.1° | 60.0° |
| H7 | C6 | O6 | H10 | 59.0° | 60.0° |
| H12 | C8 | C9 | H13 | 3.0° | 0.0° |
| H14 | C11 | C12 | H15 | 1.2° | 0.0° |
| H16 | N1 | C14 | H17 | 155.3° | 120.0° |
| H16 | N1 | C14 | H18 | 35.0° | 120.0° |
| H17 | C14 | C15 | H19 | 53.7° | 180.0° |
| H17 | C14 | C15 | H20 | 66.9° | 60.0° |
| H18 | C14 | C15 | H19 | 174.0° | 60.1° |
| H18 | C14 | C15 | H20 | 53.4° | 180.0° |
| H22 | C18 | C19 | H24 | 160.5° | 65.0° |
| H23 | C18 | C19 | H24 | 80.3° | 175.0° |
| H24 | C19 | N5 | H25 | 14.7° | 144.9° |
| H26 | N6 | C21 | H27 | 160.3° | 120.0° |
| H26 | N6 | C21 | H28 | 40.9° | 120.0° |
| H27 | C21 | C22 | H29 | 98.4° | 65.0° |
| H27 | C21 | C22 | H30 | 142.6° | 175.0° |
| H28 | C21 | C22 | H29 | 21.1° | 55.0° |
| H28 | C21 | C22 | H30 | 97.9° | 64.9° |
| H29 | C22 | O8 | H31 | 59.5° | 60.0° |
| H30 | C22 | O8 | H31 | 59.5° | 60.0° |
| H34 | C26 | C27 | H35 | 0.2° | 0.0° |
| H35 | C27 | C28 | H36 | 0.3° | 0.0° |
| H36 | C28 | C29 | H37 | 0.8° | 0.1° |
| H37 | C29 | C30 | H38 | 1.9° | 0.2° |
