3KM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C27 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C26 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C24 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | N2 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | N2 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| N2 | C12 | sing | 1.35Å | 1.35Å | |
| C14 | O1 | sing | 1.36Å | 1.37Å | |
| C14 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | C13 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C25 | sing | 1.48Å | 1.50Å | |
| N3 | C25 | doub | 1.30Å | 1.34Å | |
| C12 | O2 | doub | 1.21Å | 1.24Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| C25 | N4 | sing | 1.38Å | 1.32Å | |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | N1 | sing | 1.46Å | 1.44Å | |
| C7 | C8 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | S1 | sing | 1.66Å | 1.58Å | |
| C4 | C5 | sing | 1.42Å | 1.41Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C9 | S1 | sing | 1.76Å | 1.65Å | |
| C9 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| O4 | S1 | doub | 1.42Å | 1.50Å | |
| C5 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.42Å | Aromatic |
| S1 | O3 | doub | 1.42Å | 1.49Å | |
| C1 | C6 | sing | 1.36Å | 1.42Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | H19 | sing | 1.08Å | 1.08Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 1.01Å | 1.00Å | |
| N5 | H23 | sing | 1.01Å | 1.00Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C27 | C26 | 109.5° | 109.5° |
| C27 | N5 | H22 | 109.5° | 111.0° |
| C27 | N5 | H23 | 109.5° | 111.0° |
| N5 | C27 | H33 | 109.5° | 109.5° |
| N5 | C27 | H34 | 109.5° | 109.5° |
| C27 | C26 | C17 | 111.6° | 109.5° |
| C27 | C26 | H15 | 109.0° | 109.5° |
| C27 | C26 | H16 | 109.0° | 109.5° |
| C26 | C27 | H33 | 109.5° | 109.4° |
| C26 | C27 | H34 | 109.5° | 109.5° |
| C24 | C23 | C22 | 118.1° | 120.2° |
| C23 | C24 | C14 | 121.3° | 120.2° |
| C23 | C24 | H14 | 119.3° | 119.9° |
| C24 | C23 | H32 | 120.9° | 119.9° |
| C23 | C22 | C21 | 121.2° | 120.0° |
| C23 | C22 | H13 | 119.4° | 120.0° |
| C22 | C23 | H32 | 121.0° | 119.9° |
| C26 | C17 | C16 | 110.1° | 109.5° |
| C26 | C17 | C18 | 111.8° | 109.5° |
| C26 | C17 | H11 | 108.7° | 109.4° |
| C17 | C26 | H15 | 108.9° | 109.5° |
| C17 | C26 | H16 | 108.9° | 109.5° |
| C16 | C17 | C18 | 108.5° | 109.6° |
| C17 | C16 | C15 | 107.4° | 109.3° |
| C16 | C17 | H11 | 108.9° | 109.4° |
| C17 | C16 | H26 | 110.0° | 109.5° |
| C17 | C16 | H27 | 110.0° | 109.5° |
| C17 | C18 | C19 | 110.5° | 109.3° |
| C18 | C17 | H11 | 108.8° | 109.5° |
| C17 | C18 | H28 | 109.2° | 109.5° |
| C17 | C18 | H29 | 109.2° | 109.5° |
| C24 | C14 | O1 | 120.7° | 120.0° |
| C24 | C14 | C20 | 119.6° | 120.0° |
| C14 | C24 | H14 | 119.4° | 119.9° |
| C16 | C15 | N2 | 105.2° | 108.8° |
| C16 | C15 | H9 | 110.5° | 109.6° |
| C16 | C15 | H10 | 110.5° | 109.6° |
| C15 | C16 | H26 | 110.0° | 109.5° |
| C15 | C16 | H27 | 110.0° | 109.5° |
| C15 | N2 | C19 | 112.3° | 118.8° |
| C15 | N2 | C12 | 126.5° | 120.6° |
| N2 | C15 | H9 | 110.5° | 109.6° |
| N2 | C15 | H10 | 110.5° | 109.6° |
| C18 | C19 | N2 | 102.0° | 108.7° |
| C19 | C18 | H28 | 109.2° | 109.5° |
| C19 | C18 | H29 | 109.2° | 109.5° |
| C18 | C19 | H30 | 111.3° | 109.6° |
| C18 | C19 | H31 | 111.3° | 109.6° |
| C19 | N2 | C12 | 121.2° | 120.6° |
| N2 | C19 | H30 | 111.3° | 109.6° |
| N2 | C19 | H31 | 111.3° | 109.6° |
| C22 | C21 | C20 | 119.7° | 119.8° |
| C22 | C21 | C25 | 122.8° | 120.1° |
| C21 | C22 | H13 | 119.4° | 120.0° |
| N2 | C12 | O2 | 119.4° | 120.0° |
| N2 | C12 | C11 | 122.2° | 120.0° |
| O1 | C14 | C20 | 119.6° | 120.0° |
| C14 | O1 | C13 | 126.6° | 117.0° |
| C14 | C20 | C21 | 120.0° | 119.8° |
| C14 | C20 | H12 | 120.0° | 120.1° |
| O1 | C13 | C11 | 111.1° | 109.5° |
| O1 | C13 | H7 | 109.1° | 109.5° |
| O1 | C13 | H8 | 109.1° | 109.5° |
| C20 | C21 | C25 | 117.4° | 120.1° |
| C21 | C20 | H12 | 120.0° | 120.1° |
| C21 | C25 | N3 | 120.3° | 120.0° |
| C21 | C25 | N4 | 120.9° | 119.9° |
| N3 | C25 | N4 | 118.6° | 120.1° |
| C25 | N3 | H2 | 112.0° | 120.0° |
| O2 | C12 | C11 | 118.4° | 120.0° |
| C12 | C11 | C13 | 118.7° | 109.5° |
| C12 | C11 | N1 | 107.3° | 109.5° |
| C12 | C11 | H25 | 108.2° | 109.5° |
| C25 | N4 | H20 | 120.0° | 119.9° |
| C25 | N4 | H21 | 120.0° | 120.1° |
| C13 | C11 | N1 | 104.5° | 109.5° |
| C11 | C13 | H7 | 109.1° | 109.4° |
| C11 | C13 | H8 | 109.1° | 109.5° |
| C13 | C11 | H25 | 108.4° | 109.5° |
| C11 | N1 | S1 | 120.9° | 120.0° |
| C11 | N1 | H1 | 106.6° | 120.0° |
| N1 | C11 | H25 | 109.6° | 109.5° |
| C8 | C7 | C4 | 121.0° | 119.6° |
| C7 | C8 | C9 | 121.7° | 121.0° |
| C8 | C7 | H4 | 119.5° | 120.1° |
| C7 | C8 | H5 | 119.2° | 119.5° |
| C7 | C4 | C3 | 120.8° | 121.3° |
| C7 | C4 | C5 | 118.9° | 119.4° |
| C4 | C7 | H4 | 119.5° | 120.2° |
| C4 | C3 | C2 | 121.1° | 119.7° |
| C3 | C4 | C5 | 120.3° | 119.3° |
| C4 | C3 | H19 | 119.4° | 120.1° |
| C3 | C2 | C1 | 119.1° | 120.9° |
| C3 | C2 | H18 | 120.5° | 119.5° |
| C2 | C3 | H19 | 119.4° | 120.2° |
| C8 | C9 | S1 | 120.4° | 119.5° |
| C8 | C9 | C10 | 116.8° | 121.0° |
| C9 | C8 | H5 | 119.2° | 119.5° |
| N1 | S1 | C9 | 107.4° | 107.3° |
| N1 | S1 | O4 | 105.0° | 106.4° |
| N1 | S1 | O3 | 107.5° | 106.4° |
| S1 | N1 | H1 | 106.5° | 120.0° |
| C4 | C5 | C10 | 120.1° | 119.3° |
| C4 | C5 | C6 | 118.4° | 119.4° |
| C2 | C1 | C6 | 119.5° | 121.0° |
| C2 | C1 | H17 | 120.3° | 119.5° |
| C1 | C2 | H18 | 120.5° | 119.5° |
| S1 | C9 | C10 | 122.8° | 119.5° |
| C9 | S1 | O4 | 113.0° | 106.4° |
| C9 | S1 | O3 | 111.5° | 106.4° |
| C9 | C10 | C5 | 121.5° | 119.6° |
| C9 | C10 | H6 | 119.2° | 120.2° |
| O4 | S1 | O3 | 112.0° | 123.1° |
| C10 | C5 | C6 | 121.5° | 121.3° |
| C5 | C10 | H6 | 119.2° | 120.2° |
| C5 | C6 | C1 | 121.6° | 119.7° |
| C5 | C6 | H3 | 119.2° | 120.2° |
| C1 | C6 | H3 | 119.2° | 120.2° |
| C6 | C1 | H17 | 120.2° | 119.5° |
| H7 | C13 | H8 | 109.5° | 109.4° |
| H9 | C15 | H10 | 109.5° | 109.7° |
| H15 | C26 | H16 | 109.5° | 109.4° |
| H20 | N4 | H21 | 120.0° | 120.0° |
| H22 | N5 | H23 | 109.5° | 111.0° |
| H26 | C16 | H27 | 109.5° | 109.5° |
| H28 | C18 | H29 | 109.4° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.7° |
| H33 | C27 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C27 | C26 | H33 | 120.0° | 120.0° |
| N5 | C27 | C26 | H34 | 120.0° | 120.0° |
| N5 | C27 | C26 | C17 | 58.7° | 180.0° |
| N5 | C27 | C26 | H15 | 179.0° | 59.9° |
| N5 | C27 | C26 | H16 | 61.6° | 60.0° |
| C27 | N5 | H22 | H23 | 120.0° | 124.0° |
| N5 | C27 | H33 | H34 | 120.0° | 120.0° |
| C27 | C26 | C17 | H15 | 120.3° | 120.0° |
| C27 | C26 | C17 | H16 | 120.3° | 120.1° |
| C27 | C26 | C17 | C16 | 64.7° | 175.0° |
| C27 | C26 | C17 | C18 | 174.6° | 64.9° |
| C27 | C26 | C17 | H11 | 54.5° | 55.0° |
| C27 | C26 | H15 | H16 | 119.1° | 120.0° |
| C26 | C27 | N5 | H22 | 180.0° | 180.0° |
| C26 | C27 | N5 | H23 | 60.0° | 56.0° |
| C26 | C27 | H33 | H34 | 120.0° | 120.0° |
| C24 | C23 | C22 | H32 | 180.0° | 179.7° |
| C23 | C24 | C14 | H14 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 1.3° | 0.3° |
| C23 | C24 | C14 | O1 | 178.9° | 180.0° |
| C23 | C24 | C14 | C20 | 1.0° | 0.0° |
| C24 | C23 | C22 | H13 | 178.7° | 179.7° |
| C22 | C23 | C24 | C14 | 1.1° | 0.3° |
| C23 | C22 | C21 | H13 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 1.4° | 0.0° |
| C23 | C22 | C21 | C25 | 177.2° | 179.9° |
| C22 | C23 | C24 | H14 | 178.9° | 179.7° |
| C26 | C17 | C16 | C18 | 122.7° | 120.0° |
| C26 | C17 | C16 | H11 | 119.1° | 119.9° |
| C26 | C17 | C18 | H11 | 120.1° | 119.9° |
| C26 | C17 | C16 | C15 | 178.9° | 178.6° |
| C26 | C17 | C18 | C19 | 177.9° | 178.6° |
| C17 | C26 | H15 | H16 | 119.0° | 120.0° |
| C26 | C17 | C16 | H26 | 59.3° | 61.4° |
| C26 | C17 | C16 | H27 | 61.4° | 58.6° |
| C26 | C17 | C18 | H28 | 61.9° | 61.4° |
| C26 | C17 | C18 | H29 | 57.8° | 58.6° |
| C17 | C26 | C27 | H33 | 61.3° | 60.0° |
| C17 | C26 | C27 | H34 | 178.7° | 60.0° |
| C16 | C17 | C18 | H11 | 118.3° | 120.0° |
| C17 | C16 | C15 | H26 | 119.7° | 119.9° |
| C17 | C16 | C15 | H27 | 119.7° | 120.0° |
| C17 | C16 | C15 | N2 | 62.0° | 54.6° |
| C16 | C17 | C18 | C19 | 60.5° | 61.4° |
| C17 | C16 | C15 | H9 | 57.4° | 174.4° |
| C17 | C16 | C15 | H10 | 178.7° | 65.2° |
| C16 | C17 | C26 | H15 | 55.7° | 65.0° |
| C16 | C17 | C26 | H16 | 175.0° | 54.9° |
| C17 | C16 | H26 | H27 | 121.0° | 120.1° |
| C16 | C17 | C18 | H28 | 59.7° | 58.6° |
| C16 | C17 | C18 | H29 | 179.4° | 178.7° |
| C18 | C17 | C16 | C15 | 58.4° | 61.3° |
| C17 | C18 | C19 | H28 | 120.2° | 119.9° |
| C17 | C18 | C19 | H29 | 120.2° | 120.0° |
| C17 | C18 | C19 | N2 | 62.0° | 54.6° |
| C18 | C17 | C26 | H15 | 65.0° | 55.1° |
| C18 | C17 | C26 | H16 | 54.3° | 175.0° |
| C18 | C17 | C16 | H26 | 178.1° | 58.6° |
| C18 | C17 | C16 | H27 | 61.2° | 178.7° |
| C17 | C18 | H28 | H29 | 119.6° | 120.0° |
| C17 | C18 | C19 | H30 | 179.3° | 65.2° |
| C17 | C18 | C19 | H31 | 56.8° | 174.4° |
| C24 | C14 | O1 | C20 | 177.9° | 180.0° |
| C24 | C14 | O1 | C13 | 137.0° | 0.0° |
| C24 | C14 | C20 | C21 | 1.0° | 0.3° |
| C24 | C14 | C20 | H12 | 179.0° | 180.0° |
| C14 | C24 | C23 | H32 | 178.9° | 180.0° |
| C16 | C15 | N2 | H9 | 119.3° | 119.8° |
| C16 | C15 | N2 | H10 | 119.3° | 119.8° |
| C16 | C15 | N2 | C19 | 71.7° | 53.6° |
| C16 | C15 | N2 | C12 | 108.0° | 126.4° |
| C16 | C15 | H9 | H10 | 122.0° | 120.3° |
| C15 | C16 | C17 | H11 | 59.8° | 58.7° |
| C15 | C16 | H26 | H27 | 121.0° | 120.1° |
| C15 | N2 | C19 | C18 | 69.8° | 53.6° |
| C15 | N2 | C19 | C12 | 179.8° | 179.9° |
| C15 | N2 | C12 | O2 | 178.7° | 5.3° |
| C15 | N2 | C12 | C11 | 0.5° | 174.7° |
| N2 | C15 | H9 | H10 | 122.0° | 120.4° |
| N2 | C15 | C16 | H26 | 178.3° | 65.3° |
| N2 | C15 | C16 | H27 | 57.7° | 174.6° |
| C15 | N2 | C19 | H30 | 171.4° | 66.1° |
| C15 | N2 | C19 | H31 | 48.9° | 173.4° |
| C18 | C19 | N2 | H30 | 118.8° | 119.8° |
| C18 | C19 | N2 | H31 | 118.8° | 119.7° |
| C18 | C19 | N2 | C12 | 109.9° | 126.4° |
| C19 | C18 | C17 | H11 | 57.9° | 58.7° |
| C19 | C18 | H28 | H29 | 119.5° | 120.1° |
| C18 | C19 | H30 | H31 | 123.5° | 120.3° |
| C19 | N2 | C12 | O2 | 1.0° | 174.8° |
| C19 | N2 | C12 | C11 | 179.3° | 5.2° |
| C19 | N2 | C15 | H9 | 47.6° | 173.5° |
| C19 | N2 | C15 | H10 | 168.9° | 66.1° |
| N2 | C19 | C18 | H28 | 58.2° | 65.3° |
| N2 | C19 | C18 | H29 | 177.9° | 174.6° |
| N2 | C19 | H30 | H31 | 123.5° | 120.4° |
| C22 | C21 | C20 | C14 | 1.2° | 0.3° |
| C22 | C21 | C20 | C25 | 176.0° | 179.9° |
| C22 | C21 | C25 | N3 | 15.8° | 180.0° |
| C22 | C21 | C25 | N4 | 168.5° | 0.1° |
| C22 | C21 | C20 | H12 | 178.8° | 180.0° |
| C21 | C22 | C23 | H32 | 178.7° | 180.0° |
| N2 | C12 | O2 | C11 | 178.3° | 180.0° |
| N2 | C12 | C11 | C13 | 80.6° | 85.9° |
| N2 | C12 | C11 | N1 | 161.4° | 154.1° |
| C12 | N2 | C15 | H9 | 132.6° | 6.6° |
| C12 | N2 | C15 | H10 | 11.3° | 113.8° |
| N2 | C12 | C11 | H25 | 43.3° | 34.1° |
| C12 | N2 | C19 | H30 | 8.9° | 113.8° |
| C12 | N2 | C19 | H31 | 131.3° | 6.7° |
| O1 | C14 | C20 | C21 | 178.9° | 179.7° |
| C14 | O1 | C13 | C11 | 76.5° | 180.0° |
| C14 | O1 | C13 | H7 | 43.7° | 60.0° |
| C14 | O1 | C13 | H8 | 163.2° | 60.0° |
| O1 | C14 | C20 | H12 | 1.1° | 0.0° |
| O1 | C14 | C24 | H14 | 1.1° | 0.0° |
| C20 | C14 | O1 | C13 | 45.1° | 180.0° |
| C14 | C20 | C21 | H12 | 180.0° | 179.7° |
| C14 | C20 | C21 | C25 | 177.2° | 179.7° |
| C20 | C14 | C24 | H14 | 179.0° | 180.0° |
| O1 | C13 | C11 | C12 | 17.0° | 55.7° |
| O1 | C13 | C11 | H7 | 120.2° | 120.1° |
| O1 | C13 | C11 | H8 | 120.2° | 120.0° |
| O1 | C13 | C11 | N1 | 136.4° | 64.3° |
| O1 | C13 | H7 | H8 | 119.3° | 120.0° |
| O1 | C13 | C11 | H25 | 106.9° | 175.7° |
| C20 | C21 | C25 | N3 | 160.1° | 0.1° |
| C20 | C21 | C25 | N4 | 15.6° | 180.0° |
| C20 | C21 | C22 | H13 | 178.7° | 180.0° |
| C21 | C25 | N3 | N4 | 175.9° | 179.9° |
| C21 | C25 | N3 | H2 | 175.9° | 180.0° |
| C25 | C21 | C20 | H12 | 2.8° | 0.1° |
| C25 | C21 | C22 | H13 | 2.8° | 0.0° |
| C21 | C25 | N4 | H20 | 175.8° | 180.0° |
| C21 | C25 | N4 | H21 | 4.2° | 0.1° |
| N3 | C25 | N4 | H20 | 0.0° | 0.1° |
| N3 | C25 | N4 | H21 | 180.0° | 180.0° |
| O2 | C12 | C11 | C13 | 101.1° | 94.1° |
| O2 | C12 | C11 | N1 | 16.8° | 25.9° |
| O2 | C12 | C11 | H25 | 135.0° | 145.9° |
| C12 | C11 | C13 | N1 | 119.4° | 120.0° |
| C12 | C11 | C13 | H25 | 123.8° | 120.0° |
| C12 | C11 | N1 | H25 | 117.3° | 120.0° |
| C12 | C11 | N1 | S1 | 101.7° | 145.0° |
| C12 | C11 | N1 | H1 | 19.9° | 35.3° |
| C12 | C11 | C13 | H7 | 103.3° | 175.8° |
| C12 | C11 | C13 | H8 | 137.2° | 64.3° |
| N4 | C25 | N3 | H2 | 0.0° | 0.1° |
| C25 | N4 | H20 | H21 | 180.0° | 179.9° |
| C13 | C11 | N1 | H25 | 115.9° | 120.0° |
| C13 | C11 | N1 | S1 | 131.5° | 95.1° |
| C13 | C11 | N1 | H1 | 107.0° | 84.7° |
| C11 | C13 | H7 | H8 | 119.3° | 119.9° |
| C11 | N1 | S1 | H1 | 121.6° | 179.8° |
| C11 | N1 | S1 | C9 | 67.7° | 65.2° |
| C11 | N1 | S1 | O4 | 52.8° | 48.3° |
| C11 | N1 | S1 | O3 | 172.2° | 178.8° |
| N1 | C11 | C13 | H7 | 16.1° | 55.8° |
| N1 | C11 | C13 | H8 | 103.4° | 175.7° |
| C8 | C7 | C4 | H4 | 180.0° | 180.0° |
| C8 | C7 | C4 | C3 | 179.3° | 179.8° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C8 | C7 | C4 | C5 | 0.3° | 0.1° |
| C7 | C8 | C9 | S1 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.1° |
| C7 | C4 | C3 | C5 | 179.6° | 179.7° |
| C7 | C4 | C3 | C2 | 179.9° | 179.8° |
| C4 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C4 | C5 | C10 | 0.5° | 0.0° |
| C7 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C7 | C8 | H5 | 179.7° | 180.0° |
| C7 | C4 | C3 | H19 | 0.1° | 0.3° |
| C4 | C3 | C2 | H19 | 180.0° | 179.5° |
| C4 | C3 | C2 | C1 | 0.4° | 0.4° |
| C3 | C4 | C5 | C10 | 179.9° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C7 | H4 | 0.8° | 0.2° |
| C4 | C3 | C2 | H18 | 179.7° | 179.7° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C3 | C2 | C1 | H18 | 180.0° | 179.8° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | H17 | 179.9° | 179.8° |
| C8 | C9 | S1 | N1 | 84.8° | 90.0° |
| C8 | C9 | S1 | C10 | 179.3° | 179.9° |
| C8 | C9 | S1 | O4 | 30.5° | 156.5° |
| C8 | C9 | C10 | C5 | 1.4° | 0.1° |
| C8 | C9 | S1 | O3 | 157.6° | 23.6° |
| C9 | C8 | C7 | H4 | 179.7° | 179.9° |
| C8 | C9 | C10 | H6 | 178.6° | 179.9° |
| N1 | S1 | C9 | O4 | 115.3° | 113.5° |
| N1 | S1 | C9 | O3 | 117.5° | 113.6° |
| N1 | S1 | C9 | C10 | 94.5° | 90.0° |
| N1 | S1 | O4 | O3 | 116.4° | 122.9° |
| S1 | N1 | C11 | H25 | 15.5° | 25.0° |
| C4 | C5 | C10 | C9 | 1.4° | 0.0° |
| C4 | C5 | C10 | C6 | 179.9° | 180.0° |
| C4 | C5 | C6 | C1 | 0.7° | 0.0° |
| C4 | C5 | C6 | H3 | 179.3° | 180.0° |
| C5 | C4 | C7 | H4 | 179.7° | 180.0° |
| C4 | C5 | C10 | H6 | 178.6° | 180.0° |
| C5 | C4 | C3 | H19 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.7° | 0.0° |
| C2 | C1 | C6 | H17 | 180.0° | 180.0° |
| C2 | C1 | C6 | H3 | 179.3° | 180.0° |
| C1 | C2 | C3 | H19 | 179.6° | 180.0° |
| C9 | S1 | O4 | O3 | 126.9° | 122.9° |
| S1 | C9 | C10 | C5 | 179.2° | 180.0° |
| C9 | S1 | N1 | H1 | 53.9° | 115.0° |
| S1 | C9 | C8 | H5 | 0.1° | 0.0° |
| S1 | C9 | C10 | H6 | 0.7° | 0.0° |
| C10 | C9 | S1 | O4 | 150.2° | 23.6° |
| C9 | C10 | C5 | H6 | 180.0° | 180.0° |
| C9 | C10 | C5 | C6 | 178.5° | 180.0° |
| C10 | C9 | S1 | O3 | 23.1° | 156.5° |
| C10 | C9 | C8 | H5 | 179.4° | 180.0° |
| O4 | S1 | N1 | H1 | 174.4° | 131.5° |
| C10 | C5 | C6 | C1 | 179.4° | 180.0° |
| C10 | C5 | C6 | H3 | 0.6° | 0.0° |
| C5 | C6 | C1 | H3 | 180.0° | 180.0° |
| C6 | C5 | C10 | H6 | 1.5° | 0.0° |
| C5 | C6 | C1 | H17 | 179.3° | 180.0° |
| O3 | S1 | N1 | H1 | 66.2° | 1.4° |
| C6 | C1 | C2 | H18 | 179.8° | 180.0° |
| H1 | N1 | C11 | H25 | 137.1° | 155.3° |
| H3 | C6 | C1 | H17 | 0.7° | 0.0° |
| H4 | C7 | C8 | H5 | 0.3° | 0.0° |
| H7 | C13 | C11 | H25 | 132.9° | 64.3° |
| H8 | C13 | C11 | H25 | 13.4° | 55.6° |
| H9 | C15 | C16 | H26 | 62.3° | 54.5° |
| H9 | C15 | C16 | H27 | 177.0° | 65.6° |
| H10 | C15 | C16 | H26 | 59.0° | 174.9° |
| H10 | C15 | C16 | H27 | 61.6° | 54.8° |
| H11 | C17 | C26 | H15 | 174.9° | 175.1° |
| H11 | C17 | C26 | H16 | 65.8° | 65.0° |
| H11 | C17 | C16 | H26 | 59.8° | 178.6° |
| H11 | C17 | C16 | H27 | 179.5° | 61.3° |
| H11 | C17 | C18 | H28 | 178.0° | 178.6° |
| H11 | C17 | C18 | H29 | 62.3° | 61.3° |
| H13 | C22 | C23 | H32 | 1.3° | 0.0° |
| H14 | C24 | C23 | H32 | 1.1° | 0.0° |
| H15 | C26 | C27 | H33 | 59.0° | 179.9° |
| H15 | C26 | C27 | H34 | 61.0° | 60.1° |
| H16 | C26 | C27 | H33 | 178.4° | 60.0° |
| H16 | C26 | C27 | H34 | 58.4° | 180.0° |
| H17 | C1 | C2 | H18 | 0.2° | 0.0° |
| H18 | C2 | C3 | H19 | 0.3° | 0.2° |
| H22 | N5 | C27 | H33 | 60.0° | 60.0° |
| H22 | N5 | C27 | H34 | 60.0° | 60.0° |
| H23 | N5 | C27 | H33 | 60.0° | 176.0° |
| H23 | N5 | C27 | H34 | 180.0° | 64.0° |
| H28 | C18 | C19 | H30 | 60.6° | 174.9° |
| H28 | C18 | C19 | H31 | 177.0° | 54.5° |
| H29 | C18 | C19 | H30 | 59.1° | 54.8° |
| H29 | C18 | C19 | H31 | 63.3° | 65.6° |
