GMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C12 | sing | 1.43Å | 1.43Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| O14 | C21 | doub | 1.22Å | 1.30Å | |
| O9 | S2 | doub | 1.42Å | 1.41Å | |
| C23 | C24 | doub | 1.38Å | 1.36Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C21 | C22 | sing | 1.48Å | 1.48Å | |
| C21 | N2 | sing | 1.35Å | 1.38Å | |
| C22 | C27 | doub | 1.39Å | 1.38Å | Aromatic |
| O7 | S2 | sing | 1.52Å | 1.62Å | |
| O7 | C16 | sing | 1.43Å | 1.45Å | |
| C11 | O5 | sing | 1.43Å | 1.42Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C25 | C26 | doub | 1.39Å | 1.37Å | Aromatic |
| O5 | C14 | sing | 1.43Å | 1.46Å | |
| S2 | O10 | doub | 1.42Å | 1.49Å | |
| S2 | O8 | sing | 1.52Å | 1.51Å | |
| C27 | C26 | sing | 1.38Å | 1.35Å | Aromatic |
| C20 | N2 | sing | 1.47Å | 1.46Å | |
| C20 | C16 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C26 | O15 | sing | 1.36Å | 1.41Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C15 | S1 | sing | 1.81Å | 1.78Å | |
| C15 | O11 | sing | 1.43Å | 1.45Å | |
| C10 | O3 | sing | 1.43Å | 1.44Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.49Å | |
| C17 | O11 | sing | 1.43Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.51Å | |
| C14 | S1 | sing | 1.81Å | 1.74Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| O15 | C28 | sing | 1.43Å | 1.46Å | |
| C19 | O13 | sing | 1.43Å | 1.40Å | |
| O12 | C18 | sing | 1.43Å | 1.41Å | |
| C9 | C13 | sing | 1.53Å | 1.52Å | |
| C9 | N1 | sing | 1.47Å | 1.45Å | |
| C13 | O6 | sing | 1.43Å | 1.42Å | |
| O1 | C1 | doub | 1.22Å | 1.30Å | |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| C1 | C2 | sing | 1.48Å | 1.53Å | |
| C2 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C8 | sing | 1.40Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C7 | O2 | sing | 1.36Å | 1.44Å | |
| C5 | O2 | sing | 1.43Å | 1.43Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| O6 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| O12 | H24 | sing | 0.97Å | 0.95Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| O13 | H26 | sing | 0.97Å | 0.95Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 0.97Å | 1.00Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C24 | H30 | sing | 1.08Å | 1.08Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å | |
| O8 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C12 | C11 | 107.9° | 109.5° |
| O4 | C12 | H13 | 109.8° | 109.4° |
| O4 | C12 | H14 | 109.9° | 109.5° |
| C12 | O4 | H15 | 109.5° | 114.0° |
| C12 | C11 | O5 | 109.3° | 109.5° |
| C12 | C11 | C10 | 106.7° | 109.5° |
| C12 | C11 | H12 | 108.7° | 109.5° |
| C11 | C12 | H13 | 109.9° | 109.5° |
| C11 | C12 | H14 | 109.9° | 109.5° |
| O14 | C21 | C22 | 118.4° | 120.0° |
| O14 | C21 | N2 | 126.0° | 120.0° |
| O9 | S2 | O7 | 99.7° | 106.4° |
| O9 | S2 | O10 | 121.3° | 123.2° |
| O9 | S2 | O8 | 105.1° | 106.5° |
| C24 | C23 | C22 | 123.1° | 120.0° |
| C23 | C24 | C25 | 120.6° | 120.2° |
| C24 | C23 | H29 | 118.4° | 120.0° |
| C23 | C24 | H30 | 119.7° | 119.9° |
| C23 | C22 | C21 | 123.3° | 120.1° |
| C23 | C22 | C27 | 114.9° | 119.8° |
| C22 | C23 | H29 | 118.5° | 120.1° |
| C24 | C25 | C26 | 116.6° | 120.3° |
| C25 | C24 | H30 | 119.7° | 119.9° |
| C24 | C25 | H31 | 121.7° | 119.9° |
| C22 | C21 | N2 | 114.3° | 120.0° |
| C21 | C22 | C27 | 121.7° | 120.1° |
| C21 | N2 | C20 | 116.8° | 120.0° |
| C21 | N2 | H28 | 121.6° | 120.0° |
| C22 | C27 | C26 | 122.0° | 119.8° |
| C22 | C27 | H32 | 119.0° | 120.1° |
| S2 | O7 | C16 | 118.6° | 114.0° |
| O7 | S2 | O10 | 110.7° | 106.4° |
| O7 | S2 | O8 | 110.4° | 107.2° |
| O7 | C16 | C20 | 109.3° | 109.6° |
| O7 | C16 | C15 | 106.0° | 109.5° |
| O7 | C16 | H20 | 111.0° | 109.5° |
| O5 | C11 | C10 | 113.2° | 109.4° |
| C11 | O5 | C14 | 112.1° | 114.1° |
| O5 | C11 | H12 | 110.3° | 109.5° |
| C11 | C10 | O3 | 110.5° | 109.5° |
| C11 | C10 | C9 | 106.5° | 109.2° |
| C11 | C10 | H10 | 109.8° | 109.6° |
| C10 | C11 | H12 | 108.5° | 109.5° |
| C25 | C26 | C27 | 122.4° | 120.0° |
| C25 | C26 | O15 | 121.0° | 120.0° |
| C26 | C25 | H31 | 121.7° | 119.9° |
| O5 | C14 | S1 | 108.3° | 109.5° |
| O5 | C14 | C13 | 109.1° | 109.4° |
| O5 | C14 | H18 | 109.9° | 109.5° |
| O10 | S2 | O8 | 109.1° | 106.4° |
| S2 | O8 | H36 | 109.5° | 114.0° |
| C27 | C26 | O15 | 116.0° | 120.0° |
| C26 | C27 | H32 | 119.0° | 120.1° |
| N2 | C20 | C16 | 109.2° | 109.5° |
| N2 | C20 | C19 | 112.4° | 109.6° |
| N2 | C20 | H27 | 107.4° | 109.5° |
| C20 | N2 | H28 | 121.6° | 120.0° |
| C16 | C20 | C19 | 113.9° | 109.1° |
| C20 | C16 | C15 | 110.1° | 109.1° |
| C20 | C16 | H20 | 110.3° | 109.5° |
| C16 | C20 | H27 | 107.0° | 109.5° |
| C20 | C19 | C17 | 108.2° | 109.2° |
| C20 | C19 | O13 | 107.9° | 109.5° |
| C20 | C19 | H25 | 108.4° | 109.6° |
| C19 | C20 | H27 | 106.6° | 109.7° |
| C26 | O15 | C28 | 119.4° | 117.0° |
| C16 | C15 | S1 | 111.5° | 109.5° |
| C16 | C15 | O11 | 111.0° | 109.4° |
| C16 | C15 | H19 | 109.5° | 109.5° |
| C15 | C16 | H20 | 110.0° | 109.5° |
| S1 | C15 | O11 | 107.9° | 109.5° |
| C15 | S1 | C14 | 102.7° | 103.0° |
| S1 | C15 | H19 | 106.5° | 109.5° |
| C15 | O11 | C17 | 112.9° | 114.1° |
| O11 | C15 | H19 | 110.4° | 109.5° |
| O3 | C10 | C9 | 108.8° | 109.5° |
| O3 | C10 | H10 | 111.2° | 109.5° |
| C10 | O3 | H11 | 109.5° | 114.0° |
| C10 | C9 | C13 | 111.1° | 109.0° |
| C10 | C9 | N1 | 111.1° | 109.5° |
| C10 | C9 | H9 | 106.2° | 109.6° |
| C9 | C10 | H10 | 110.0° | 109.5° |
| C19 | C17 | O11 | 107.5° | 109.4° |
| C19 | C17 | C18 | 112.0° | 109.5° |
| C17 | C19 | O13 | 113.2° | 109.5° |
| C19 | C17 | H21 | 110.4° | 109.5° |
| C17 | C19 | H25 | 108.9° | 109.6° |
| O11 | C17 | C18 | 106.2° | 109.5° |
| O11 | C17 | H21 | 110.6° | 109.4° |
| C17 | C18 | O12 | 110.9° | 109.4° |
| C18 | C17 | H21 | 110.1° | 109.5° |
| C17 | C18 | H22 | 109.1° | 109.5° |
| C17 | C18 | H23 | 109.1° | 109.4° |
| S1 | C14 | C13 | 113.7° | 109.5° |
| S1 | C14 | H18 | 106.6° | 109.5° |
| C14 | C13 | C9 | 108.9° | 109.2° |
| C14 | C13 | O6 | 109.8° | 109.5° |
| C14 | C13 | H16 | 110.6° | 109.5° |
| C13 | C14 | H18 | 109.3° | 109.5° |
| O15 | C28 | H33 | 109.5° | 109.5° |
| O15 | C28 | H34 | 109.4° | 109.5° |
| O15 | C28 | H35 | 109.5° | 109.5° |
| O13 | C19 | H25 | 110.1° | 109.5° |
| C19 | O13 | H26 | 109.5° | 114.0° |
| O12 | C18 | H22 | 109.1° | 109.5° |
| O12 | C18 | H23 | 109.1° | 109.5° |
| C18 | O12 | H24 | 109.5° | 113.9° |
| C13 | C9 | N1 | 114.5° | 109.5° |
| C9 | C13 | O6 | 105.0° | 109.5° |
| C13 | C9 | H9 | 106.3° | 109.5° |
| C9 | C13 | H16 | 110.4° | 109.6° |
| C9 | N1 | C1 | 121.2° | 119.9° |
| C9 | N1 | H8 | 119.4° | 120.0° |
| N1 | C9 | H9 | 107.1° | 109.6° |
| O6 | C13 | H16 | 111.9° | 109.5° |
| C13 | O6 | H17 | 109.5° | 114.0° |
| O1 | C1 | N1 | 118.5° | 120.1° |
| O1 | C1 | C2 | 119.2° | 120.0° |
| N1 | C1 | C2 | 115.7° | 119.9° |
| C1 | N1 | H8 | 119.4° | 120.1° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C1 | C2 | C8 | 122.3° | 120.1° |
| C3 | C2 | C8 | 116.7° | 119.8° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H1 | 119.8° | 120.0° |
| C2 | C8 | C7 | 122.7° | 119.7° |
| C2 | C8 | H7 | 118.6° | 120.1° |
| C3 | C4 | C6 | 121.2° | 120.2° |
| C4 | C3 | H1 | 119.8° | 120.0° |
| C3 | C4 | H2 | 119.4° | 119.9° |
| C8 | C7 | C6 | 119.0° | 120.1° |
| C8 | C7 | O2 | 111.1° | 120.0° |
| C7 | C8 | H7 | 118.7° | 120.2° |
| C4 | C6 | C7 | 119.7° | 120.2° |
| C6 | C4 | H2 | 119.4° | 119.9° |
| C4 | C6 | H6 | 120.1° | 119.9° |
| C6 | C7 | O2 | 129.8° | 119.9° |
| C7 | C6 | H6 | 120.2° | 119.9° |
| C7 | O2 | C5 | 129.4° | 117.0° |
| O2 | C5 | H3 | 109.5° | 109.5° |
| O2 | C5 | H4 | 109.4° | 109.4° |
| O2 | C5 | H5 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.4° |
| H22 | C18 | H23 | 109.5° | 109.5° |
| H33 | C28 | H34 | 109.5° | 109.5° |
| H33 | C28 | H35 | 109.5° | 109.4° |
| H34 | C28 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C12 | C11 | H13 | 119.7° | 120.0° |
| O4 | C12 | C11 | H14 | 119.8° | 120.1° |
| O4 | C12 | C11 | O5 | 40.2° | 65.0° |
| O4 | C12 | C11 | C10 | 163.0° | 175.0° |
| O4 | C12 | C11 | H12 | 80.1° | 55.0° |
| O4 | C12 | H13 | H14 | 120.7° | 120.0° |
| C12 | C11 | O5 | C10 | 118.8° | 120.0° |
| C12 | C11 | O5 | H12 | 119.4° | 120.0° |
| C12 | C11 | C10 | H12 | 117.0° | 120.0° |
| C12 | C11 | O5 | C14 | 178.4° | 178.8° |
| C12 | C11 | C10 | O3 | 57.4° | 57.7° |
| C12 | C11 | C10 | C9 | 175.4° | 177.6° |
| C12 | C11 | C10 | H10 | 65.6° | 62.5° |
| C11 | C12 | H13 | H14 | 120.7° | 120.0° |
| C11 | C12 | O4 | H15 | 180.0° | 180.0° |
| O14 | C21 | C22 | C23 | 19.2° | 179.8° |
| O14 | C21 | C22 | N2 | 168.1° | 180.0° |
| O14 | C21 | C22 | C27 | 157.7° | 0.0° |
| O14 | C21 | N2 | C20 | 17.2° | 0.1° |
| O14 | C21 | N2 | H28 | 162.8° | 180.0° |
| O9 | S2 | O7 | O10 | 128.9° | 132.9° |
| O9 | S2 | O7 | O8 | 110.1° | 113.6° |
| O9 | S2 | O7 | C16 | 163.2° | 172.9° |
| O9 | S2 | O10 | O8 | 122.2° | 123.0° |
| O9 | S2 | O8 | H36 | 0.0° | 66.5° |
| C24 | C23 | C22 | H29 | 180.0° | 180.0° |
| C23 | C24 | C25 | H30 | 180.0° | 179.9° |
| C24 | C23 | C22 | C21 | 179.0° | 180.0° |
| C24 | C23 | C22 | C27 | 1.9° | 0.3° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C23 | C24 | C25 | H31 | 179.7° | 180.0° |
| C22 | C23 | C24 | C25 | 0.9° | 0.0° |
| C23 | C22 | C21 | C27 | 176.9° | 179.7° |
| C23 | C22 | C21 | N2 | 148.9° | 0.3° |
| C23 | C22 | C27 | C26 | 6.0° | 0.6° |
| C22 | C23 | C24 | H30 | 179.1° | 180.0° |
| C23 | C22 | C27 | H32 | 174.0° | 179.8° |
| C24 | C25 | C26 | H31 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 4.4° | 0.3° |
| C24 | C25 | C26 | O15 | 175.1° | 179.9° |
| C25 | C24 | C23 | H29 | 179.2° | 180.0° |
| C21 | C22 | C27 | C26 | 176.9° | 179.7° |
| C22 | C21 | N2 | C20 | 175.8° | 180.0° |
| C22 | C21 | N2 | H28 | 4.2° | 0.1° |
| C21 | C22 | C23 | H29 | 1.0° | 0.0° |
| C21 | C22 | C27 | H32 | 3.2° | 0.0° |
| N2 | C21 | C22 | C27 | 34.3° | 180.0° |
| C21 | N2 | C20 | H28 | 180.0° | 179.9° |
| C21 | N2 | C20 | C16 | 126.9° | 150.3° |
| C21 | N2 | C20 | C19 | 105.7° | 90.1° |
| C21 | N2 | C20 | H27 | 11.2° | 30.2° |
| C22 | C27 | C26 | C25 | 7.6° | 0.6° |
| C22 | C27 | C26 | H32 | 180.0° | 179.6° |
| C22 | C27 | C26 | O15 | 178.7° | 179.7° |
| C27 | C22 | C23 | H29 | 178.1° | 179.7° |
| O7 | S2 | O10 | O8 | 121.7° | 114.1° |
| S2 | O7 | C16 | C20 | 116.4° | 124.0° |
| S2 | O7 | C16 | C15 | 124.9° | 116.3° |
| S2 | O7 | C16 | H20 | 5.5° | 3.9° |
| O7 | S2 | O8 | H36 | 106.6° | 180.0° |
| C16 | O7 | S2 | O10 | 67.9° | 40.0° |
| C16 | O7 | S2 | O8 | 53.0° | 73.5° |
| O7 | C16 | C20 | N2 | 67.4° | 63.2° |
| O7 | C16 | C20 | C15 | 116.1° | 120.0° |
| O7 | C16 | C20 | H20 | 122.3° | 120.2° |
| O7 | C16 | C20 | C19 | 166.1° | 176.9° |
| O7 | C16 | C15 | H20 | 120.1° | 120.2° |
| O7 | C16 | C15 | S1 | 71.4° | 62.5° |
| O7 | C16 | C15 | O11 | 168.3° | 177.6° |
| O7 | C16 | C15 | H19 | 46.2° | 57.6° |
| O7 | C16 | C20 | H27 | 48.6° | 56.9° |
| O5 | C11 | C10 | H12 | 122.8° | 120.0° |
| O5 | C11 | C10 | O3 | 62.9° | 62.3° |
| O5 | C11 | C10 | C9 | 55.2° | 57.6° |
| C11 | O5 | C14 | S1 | 175.1° | 178.9° |
| C11 | O5 | C14 | C13 | 60.7° | 61.1° |
| O5 | C11 | C10 | H10 | 174.2° | 177.5° |
| O5 | C11 | C12 | H13 | 79.5° | 175.0° |
| O5 | C11 | C12 | H14 | 160.0° | 55.1° |
| C11 | O5 | C14 | H18 | 59.1° | 58.8° |
| C10 | C11 | O5 | C14 | 59.7° | 61.2° |
| C11 | C10 | O3 | C9 | 116.6° | 119.7° |
| C11 | C10 | O3 | H10 | 122.1° | 120.2° |
| C11 | C10 | C9 | H10 | 118.9° | 120.0° |
| C11 | C10 | C9 | C13 | 54.8° | 57.0° |
| C11 | C10 | C9 | N1 | 176.4° | 176.9° |
| C11 | C10 | C9 | H9 | 60.3° | 62.9° |
| C11 | C10 | O3 | H11 | 180.0° | 60.3° |
| C10 | C11 | C12 | H13 | 43.3° | 55.1° |
| C10 | C11 | C12 | H14 | 77.2° | 64.9° |
| C25 | C26 | C27 | O15 | 171.2° | 179.8° |
| C25 | C26 | O15 | C28 | 176.0° | 0.0° |
| C26 | C25 | C24 | H30 | 179.8° | 180.0° |
| C25 | C26 | C27 | H32 | 172.4° | 179.8° |
| O5 | C14 | S1 | C15 | 103.3° | 65.0° |
| O5 | C14 | S1 | C13 | 121.3° | 119.9° |
| O5 | C14 | S1 | H18 | 118.2° | 120.1° |
| O5 | C14 | C13 | H18 | 120.2° | 120.0° |
| O5 | C14 | C13 | C9 | 59.7° | 57.6° |
| O5 | C14 | C13 | O6 | 174.1° | 177.5° |
| C14 | O5 | C11 | H12 | 62.2° | 58.8° |
| O5 | C14 | C13 | H16 | 61.9° | 62.4° |
| O10 | S2 | O8 | H36 | 131.5° | 66.5° |
| C27 | C26 | O15 | C28 | 12.7° | 179.7° |
| C27 | C26 | C25 | H31 | 175.6° | 179.8° |
| N2 | C20 | C16 | C19 | 126.5° | 119.9° |
| N2 | C20 | C16 | H27 | 116.0° | 120.1° |
| N2 | C20 | C19 | H27 | 117.4° | 120.2° |
| N2 | C20 | C16 | C15 | 176.5° | 176.9° |
| N2 | C20 | C19 | C17 | 179.3° | 176.8° |
| N2 | C20 | C19 | O13 | 57.8° | 56.9° |
| N2 | C20 | C16 | H20 | 54.9° | 57.0° |
| N2 | C20 | C19 | H25 | 61.4° | 63.2° |
| C16 | C20 | C19 | H27 | 117.7° | 120.0° |
| C20 | C16 | C15 | H20 | 121.8° | 119.9° |
| C20 | C16 | C15 | S1 | 170.4° | 177.6° |
| C20 | C16 | C15 | O11 | 50.1° | 57.6° |
| C16 | C20 | C19 | C17 | 55.9° | 57.0° |
| C16 | C20 | C19 | O13 | 67.0° | 62.9° |
| C20 | C16 | C15 | H19 | 72.0° | 62.4° |
| C16 | C20 | C19 | H25 | 173.8° | 176.9° |
| C16 | C20 | N2 | H28 | 53.1° | 29.8° |
| C19 | C20 | C16 | C15 | 50.0° | 57.0° |
| C20 | C19 | C17 | O13 | 119.6° | 119.9° |
| C20 | C19 | C17 | H25 | 117.6° | 120.0° |
| C20 | C19 | C17 | O11 | 60.0° | 57.6° |
| C20 | C19 | C17 | C18 | 176.2° | 177.6° |
| C20 | C19 | O13 | H25 | 118.1° | 120.2° |
| C19 | C20 | C16 | H20 | 71.6° | 62.9° |
| C20 | C19 | C17 | H21 | 60.7° | 62.4° |
| C20 | C19 | O13 | H26 | 180.0° | 179.6° |
| C19 | C20 | N2 | H28 | 74.3° | 89.8° |
| O15 | C26 | C25 | H31 | 4.9° | 0.0° |
| O15 | C26 | C27 | H32 | 1.2° | 0.0° |
| C26 | O15 | C28 | H33 | 180.0° | 60.1° |
| C26 | O15 | C28 | H34 | 60.0° | 60.0° |
| C26 | O15 | C28 | H35 | 60.0° | 180.0° |
| C16 | C15 | S1 | O11 | 122.1° | 119.9° |
| C16 | C15 | S1 | H19 | 119.4° | 120.0° |
| C16 | C15 | O11 | H19 | 121.6° | 120.0° |
| C16 | C15 | O11 | C17 | 59.6° | 61.2° |
| C16 | C15 | S1 | C14 | 179.4° | 175.0° |
| C15 | C16 | C20 | H27 | 67.5° | 63.0° |
| S1 | C15 | O11 | H19 | 116.0° | 120.0° |
| S1 | C15 | O11 | C17 | 177.9° | 178.9° |
| C15 | S1 | C14 | C13 | 135.4° | 175.0° |
| C15 | S1 | C14 | H18 | 14.9° | 55.1° |
| S1 | C15 | C16 | H20 | 48.7° | 57.7° |
| C15 | O11 | C17 | C19 | 64.9° | 61.1° |
| C15 | O11 | C17 | C18 | 175.1° | 178.9° |
| O11 | C15 | S1 | C14 | 57.4° | 65.1° |
| O11 | C15 | C16 | H20 | 71.7° | 62.3° |
| C15 | O11 | C17 | H21 | 55.7° | 58.8° |
| O3 | C10 | C9 | H10 | 122.0° | 120.1° |
| O3 | C10 | C9 | C13 | 64.3° | 62.9° |
| O3 | C10 | C9 | N1 | 64.5° | 56.9° |
| O3 | C10 | C9 | H9 | 179.4° | 177.2° |
| O3 | C10 | C11 | H12 | 174.3° | 177.7° |
| C10 | C9 | C13 | C14 | 59.5° | 57.0° |
| C10 | C9 | C13 | N1 | 126.9° | 119.9° |
| C10 | C9 | C13 | H9 | 115.1° | 119.9° |
| C10 | C9 | N1 | H9 | 115.6° | 120.3° |
| C10 | C9 | C13 | O6 | 177.1° | 176.9° |
| C10 | C9 | N1 | C1 | 83.0° | 155.4° |
| C10 | C9 | N1 | H8 | 97.0° | 24.5° |
| C9 | C10 | O3 | H11 | 63.4° | 180.0° |
| C9 | C10 | C11 | H12 | 67.6° | 62.3° |
| C10 | C9 | C13 | H16 | 62.1° | 63.0° |
| C19 | C17 | O11 | C18 | 120.1° | 120.0° |
| C19 | C17 | O11 | H21 | 120.5° | 119.9° |
| C19 | C17 | C18 | H21 | 123.2° | 120.0° |
| C17 | C19 | O13 | H25 | 122.1° | 120.2° |
| C19 | C17 | C18 | O12 | 177.6° | 175.0° |
| C19 | C17 | C18 | H22 | 62.2° | 55.0° |
| C19 | C17 | C18 | H23 | 57.4° | 65.0° |
| C17 | C19 | O13 | H26 | 60.2° | 60.0° |
| C17 | C19 | C20 | H27 | 61.8° | 63.0° |
| O11 | C17 | C18 | H21 | 119.8° | 120.0° |
| O11 | C17 | C19 | O13 | 59.6° | 62.3° |
| O11 | C17 | C18 | O12 | 60.6° | 65.0° |
| C17 | O11 | C15 | H19 | 62.0° | 58.9° |
| O11 | C17 | C18 | H22 | 179.2° | 174.9° |
| O11 | C17 | C18 | H23 | 59.6° | 54.9° |
| O11 | C17 | C19 | H25 | 177.6° | 177.6° |
| C18 | C17 | C19 | O13 | 56.6° | 57.7° |
| C17 | C18 | O12 | H22 | 120.2° | 120.0° |
| C17 | C18 | O12 | H23 | 120.2° | 119.9° |
| C17 | C18 | H22 | H23 | 119.3° | 120.0° |
| C17 | C18 | O12 | H24 | 180.0° | 180.0° |
| C18 | C17 | C19 | H25 | 66.2° | 62.4° |
| S1 | C14 | C13 | H18 | 118.9° | 120.0° |
| S1 | C14 | C13 | C9 | 179.4° | 177.6° |
| S1 | C14 | C13 | O6 | 65.0° | 62.5° |
| S1 | C14 | C13 | H16 | 59.0° | 57.6° |
| C14 | S1 | C15 | H19 | 61.1° | 55.0° |
| C14 | C13 | C9 | O6 | 117.5° | 119.9° |
| C14 | C13 | C9 | H16 | 121.7° | 120.0° |
| C14 | C13 | C9 | N1 | 173.5° | 176.8° |
| C14 | C13 | O6 | H16 | 123.3° | 120.1° |
| C14 | C13 | C9 | H9 | 55.6° | 63.0° |
| C14 | C13 | O6 | H17 | 180.0° | 60.3° |
| O15 | C28 | H33 | H34 | 120.0° | 120.0° |
| O15 | C28 | H33 | H35 | 120.0° | 120.0° |
| O15 | C28 | H34 | H35 | 120.0° | 120.0° |
| O13 | C19 | C17 | H21 | 179.7° | 177.8° |
| O13 | C19 | C20 | H27 | 175.3° | 177.1° |
| O12 | C18 | C17 | H21 | 59.2° | 55.0° |
| O12 | C18 | H22 | H23 | 119.4° | 120.0° |
| C13 | C9 | N1 | H9 | 117.5° | 120.2° |
| C9 | C13 | O6 | H16 | 119.8° | 120.2° |
| C13 | C9 | N1 | C1 | 150.1° | 85.0° |
| C13 | C9 | N1 | H8 | 29.9° | 95.0° |
| C13 | C9 | C10 | H10 | 173.7° | 177.0° |
| C9 | C13 | O6 | H17 | 63.1° | 180.0° |
| C9 | C13 | C14 | H18 | 60.5° | 62.4° |
| N1 | C9 | C13 | O6 | 56.0° | 63.3° |
| C9 | N1 | C1 | O1 | 13.7° | 0.0° |
| C9 | N1 | C1 | H8 | 180.0° | 179.9° |
| C9 | N1 | C1 | C2 | 165.1° | 179.7° |
| N1 | C9 | C10 | H10 | 57.5° | 63.2° |
| N1 | C9 | C13 | H16 | 64.8° | 56.9° |
| O6 | C13 | C9 | H9 | 62.0° | 56.9° |
| O6 | C13 | C14 | H18 | 53.9° | 57.5° |
| O1 | C1 | N1 | C2 | 151.4° | 179.7° |
| O1 | C1 | C2 | C3 | 10.7° | 180.0° |
| O1 | C1 | C2 | C8 | 177.5° | 0.3° |
| O1 | C1 | N1 | H8 | 166.3° | 180.0° |
| N1 | C1 | C2 | C3 | 161.9° | 0.3° |
| N1 | C1 | C2 | C8 | 26.3° | 180.0° |
| C1 | N1 | C9 | H9 | 32.6° | 35.1° |
| C1 | C2 | C3 | C8 | 172.2° | 179.7° |
| C1 | C2 | C3 | C4 | 176.8° | 180.0° |
| C1 | C2 | C8 | C7 | 176.9° | 179.7° |
| C1 | C2 | C3 | H1 | 3.2° | 0.1° |
| C1 | C2 | C8 | H7 | 3.1° | 0.0° |
| C2 | C1 | N1 | H8 | 14.9° | 0.3° |
| C2 | C3 | C4 | H1 | 180.0° | 179.9° |
| C3 | C2 | C8 | C7 | 4.8° | 0.5° |
| C2 | C3 | C4 | C6 | 2.7° | 0.0° |
| C2 | C3 | C4 | H2 | 177.2° | 180.0° |
| C3 | C2 | C8 | H7 | 175.1° | 179.7° |
| C8 | C2 | C3 | C4 | 4.5° | 0.3° |
| C2 | C8 | C7 | H7 | 180.0° | 179.7° |
| C2 | C8 | C7 | C6 | 3.1° | 0.5° |
| C2 | C8 | C7 | O2 | 173.8° | 179.7° |
| C8 | C2 | C3 | H1 | 175.4° | 179.8° |
| C3 | C4 | C6 | H2 | 180.0° | 180.0° |
| C3 | C4 | C6 | C7 | 0.9° | 0.0° |
| C3 | C4 | C6 | H6 | 179.1° | 180.0° |
| C8 | C7 | C6 | C4 | 1.0° | 0.3° |
| C8 | C7 | C6 | O2 | 176.3° | 179.8° |
| C8 | C7 | O2 | C5 | 8.9° | 179.7° |
| C8 | C7 | C6 | H6 | 179.0° | 179.7° |
| C4 | C6 | C7 | H6 | 180.0° | 180.0° |
| C4 | C6 | C7 | O2 | 175.2° | 179.9° |
| C6 | C4 | C3 | H1 | 177.3° | 179.9° |
| C6 | C7 | O2 | C5 | 167.6° | 0.0° |
| C7 | C6 | C4 | H2 | 179.1° | 180.0° |
| C6 | C7 | C8 | H7 | 176.9° | 179.7° |
| C7 | O2 | C5 | H3 | 180.0° | 60.0° |
| C7 | O2 | C5 | H4 | 60.0° | 180.0° |
| C7 | O2 | C5 | H5 | 60.0° | 60.0° |
| O2 | C7 | C6 | H6 | 4.8° | 0.1° |
| O2 | C7 | C8 | H7 | 6.2° | 0.0° |
| O2 | C5 | H3 | H4 | 120.0° | 120.0° |
| O2 | C5 | H3 | H5 | 120.0° | 120.0° |
| O2 | C5 | H4 | H5 | 120.0° | 120.0° |
| H1 | C3 | C4 | H2 | 2.8° | 0.1° |
| H2 | C4 | C6 | H6 | 0.9° | 0.0° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H8 | N1 | C9 | H9 | 147.4° | 144.8° |
| H9 | C9 | C10 | H10 | 58.6° | 57.1° |
| H9 | C9 | C13 | H16 | 177.2° | 177.1° |
| H10 | C10 | O3 | H11 | 57.9° | 59.9° |
| H10 | C10 | C11 | H12 | 51.4° | 57.6° |
| H12 | C11 | C12 | H13 | 160.1° | 65.0° |
| H12 | C11 | C12 | H14 | 39.6° | 175.0° |
| H13 | C12 | O4 | H15 | 60.3° | 60.0° |
| H14 | C12 | O4 | H15 | 60.3° | 59.9° |
| H16 | C13 | O6 | H17 | 56.7° | 59.8° |
| H16 | C13 | C14 | H18 | 178.0° | 177.7° |
| H19 | C15 | C16 | H20 | 166.3° | 177.7° |
| H20 | C16 | C20 | H27 | 170.9° | 177.1° |
| H21 | C17 | C18 | H22 | 61.1° | 65.0° |
| H21 | C17 | C18 | H23 | 179.4° | 174.9° |
| H21 | C17 | C19 | H25 | 56.9° | 57.6° |
| H22 | C18 | O12 | H24 | 59.8° | 60.0° |
| H23 | C18 | O12 | H24 | 59.8° | 60.1° |
| H25 | C19 | O13 | H26 | 61.9° | 60.2° |
| H25 | C19 | C20 | H27 | 56.1° | 57.0° |
| H27 | C20 | N2 | H28 | 168.8° | 149.9° |
| H29 | C23 | C24 | H30 | 0.9° | 0.1° |
| H30 | C24 | C25 | H31 | 0.2° | 0.1° |
| H33 | C28 | H34 | H35 | 120.0° | 120.0° |
