A1EJB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C25 | sing | 1.35Å | 1.46Å | |
| O10 | C25 | doub | 1.21Å | 1.19Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N5 | sing | 1.47Å | 1.46Å | |
| C28 | C27 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.36Å | 1.38Å | Aromatic |
| N2 | C4 | sing | 1.35Å | 1.44Å | |
| O1 | C4 | doub | 1.21Å | 1.19Å | |
| C27 | C32 | doub | 1.42Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| N5 | C26 | sing | 1.40Å | 1.44Å | |
| N5 | S2 | sing | 1.66Å | 1.70Å | |
| C32 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C26 | C33 | doub | 1.38Å | 1.37Å | Aromatic |
| O8 | S2 | doub | 1.42Å | 1.47Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.41Å | 1.45Å | |
| S2 | O9 | doub | 1.42Å | 1.47Å | |
| S2 | C21 | sing | 1.76Å | 1.82Å | |
| C33 | C1 | sing | 1.39Å | 1.35Å | Aromatic |
| N1 | S1 | sing | 1.67Å | 1.68Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.47Å | |
| S1 | O3 | doub | 1.42Å | 1.47Å | |
| S1 | C5 | sing | 1.76Å | 1.81Å | |
| C19 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | sing | 1.54Å | 1.50Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C34 | C16 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N4 | sing | 1.40Å | 1.45Å | |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | N3 | sing | 1.46Å | 1.49Å | |
| C9 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C9 | O4 | sing | 1.36Å | 1.40Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C16 | N3 | sing | 1.47Å | 1.48Å | |
| N4 | C17 | sing | 1.37Å | 1.45Å | |
| O4 | C10 | sing | 1.34Å | 1.40Å | |
| C17 | O7 | doub | 1.21Å | 1.19Å | |
| N3 | C15 | sing | 1.35Å | 1.45Å | |
| C10 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | O5 | doub | 1.21Å | 1.19Å | |
| C15 | O6 | doub | 1.21Å | 1.19Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H32 | sing | 1.09Å | 1.10Å | |
| C35 | H34 | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H38 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N4 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C25 | O10 | 120.8° | 120.0° |
| N6 | C25 | C24 | 119.0° | 120.0° |
| C25 | N6 | H26 | 120.0° | 120.0° |
| C25 | N6 | H25 | 120.0° | 120.0° |
| O10 | C25 | C24 | 120.1° | 120.0° |
| C25 | C24 | N5 | 119.3° | 109.5° |
| C25 | C24 | H23 | 107.0° | 109.4° |
| C25 | C24 | H24 | 106.9° | 109.5° |
| C28 | C29 | C30 | 120.2° | 120.6° |
| C29 | C28 | C27 | 119.7° | 119.7° |
| C29 | C28 | H27 | 120.1° | 120.2° |
| C28 | C29 | H28 | 119.9° | 119.7° |
| C29 | C30 | C31 | 120.7° | 121.3° |
| C30 | C29 | H28 | 119.9° | 119.7° |
| C29 | C30 | H29 | 119.6° | 119.4° |
| C24 | N5 | C26 | 122.6° | 120.5° |
| C24 | N5 | S2 | 119.7° | 120.4° |
| N5 | C24 | H23 | 106.9° | 109.4° |
| N5 | C24 | H24 | 107.0° | 109.5° |
| C28 | C27 | C32 | 119.5° | 119.7° |
| C28 | C27 | C26 | 122.1° | 120.9° |
| C27 | C28 | H27 | 120.2° | 120.2° |
| C30 | C31 | C32 | 119.8° | 119.8° |
| C31 | C30 | H29 | 119.7° | 119.3° |
| C30 | C31 | H30 | 120.1° | 120.2° |
| N2 | C4 | O1 | 119.6° | 120.0° |
| N2 | C4 | C3 | 118.2° | 120.0° |
| C4 | N2 | H4 | 120.0° | 120.0° |
| C4 | N2 | H5 | 120.0° | 120.0° |
| O1 | C4 | C3 | 122.2° | 119.9° |
| C32 | C27 | C26 | 118.4° | 119.4° |
| C27 | C32 | C31 | 120.1° | 118.9° |
| C27 | C32 | C2 | 119.1° | 119.5° |
| C27 | C26 | N5 | 124.9° | 120.3° |
| C27 | C26 | C33 | 121.1° | 119.7° |
| C31 | C32 | C2 | 120.8° | 121.6° |
| C32 | C31 | H30 | 120.1° | 120.1° |
| C4 | C3 | N1 | 114.4° | 109.5° |
| C4 | C3 | H3 | 108.2° | 109.5° |
| C4 | C3 | H2 | 108.2° | 109.4° |
| C26 | N5 | S2 | 117.0° | 119.1° |
| N5 | C26 | C33 | 113.9° | 120.0° |
| N5 | S2 | O8 | 108.0° | 106.3° |
| N5 | S2 | O9 | 112.2° | 106.3° |
| N5 | S2 | C21 | 101.2° | 107.4° |
| C32 | C2 | C1 | 120.4° | 119.7° |
| C32 | C2 | N1 | 123.9° | 120.3° |
| C26 | C33 | C1 | 119.9° | 120.8° |
| C26 | C33 | H31 | 120.1° | 119.6° |
| O8 | S2 | O9 | 113.3° | 123.1° |
| O8 | S2 | C21 | 109.0° | 106.4° |
| C3 | N1 | C2 | 123.7° | 122.0° |
| C3 | N1 | S1 | 121.8° | 122.0° |
| N1 | C3 | H3 | 108.2° | 109.4° |
| N1 | C3 | H2 | 108.2° | 109.5° |
| C1 | C2 | N1 | 115.7° | 120.0° |
| C2 | C1 | C33 | 121.2° | 120.8° |
| C2 | C1 | H1 | 119.4° | 119.6° |
| C2 | N1 | S1 | 114.1° | 116.0° |
| O9 | S2 | C21 | 112.5° | 106.4° |
| S2 | C21 | C20 | 116.8° | 120.0° |
| S2 | C21 | C22 | 123.0° | 120.0° |
| C33 | C1 | H1 | 119.4° | 119.6° |
| C1 | C33 | H31 | 120.1° | 119.5° |
| N1 | S1 | O2 | 107.6° | 106.3° |
| N1 | S1 | O3 | 109.7° | 106.3° |
| N1 | S1 | C5 | 98.8° | 107.7° |
| C21 | C20 | C19 | 120.0° | 119.8° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C21 | C20 | H20 | 120.0° | 120.1° |
| C20 | C19 | C18 | 120.2° | 120.2° |
| C20 | C19 | H19 | 119.9° | 119.9° |
| C19 | C20 | H20 | 120.0° | 120.1° |
| C21 | C22 | C23 | 119.9° | 120.4° |
| C21 | C22 | H21 | 120.1° | 119.8° |
| O2 | S1 | O3 | 114.5° | 123.1° |
| O2 | S1 | C5 | 111.6° | 106.4° |
| O3 | S1 | C5 | 113.4° | 106.3° |
| S1 | C5 | C6 | 118.7° | 120.4° |
| S1 | C5 | C37 | 121.1° | 119.6° |
| C19 | C18 | C23 | 120.4° | 120.0° |
| C19 | C18 | N4 | 116.7° | 121.1° |
| C18 | C19 | H19 | 119.9° | 119.9° |
| C22 | C23 | C18 | 119.3° | 119.5° |
| C23 | C22 | H21 | 120.1° | 119.8° |
| C22 | C23 | H22 | 120.3° | 120.2° |
| C34 | C35 | C36 | 108.0° | 106.1° |
| C35 | C34 | C16 | 106.1° | 105.3° |
| C35 | C34 | H33 | 110.3° | 110.3° |
| C35 | C34 | H32 | 110.3° | 110.5° |
| C34 | C35 | H34 | 109.8° | 110.2° |
| C34 | C35 | H35 | 109.9° | 110.1° |
| C35 | C36 | N3 | 105.9° | 108.3° |
| C36 | C35 | H34 | 109.8° | 110.1° |
| C36 | C35 | H35 | 109.8° | 110.1° |
| C35 | C36 | H37 | 110.3° | 109.8° |
| C35 | C36 | H36 | 110.4° | 109.7° |
| C34 | C16 | C17 | 114.8° | 110.5° |
| C34 | C16 | N3 | 108.6° | 107.4° |
| C34 | C16 | H17 | 110.4° | 109.9° |
| C16 | C34 | H33 | 110.3° | 110.3° |
| C16 | C34 | H32 | 110.3° | 110.3° |
| C6 | C5 | C37 | 120.1° | 120.0° |
| C5 | C6 | C7 | 119.9° | 120.1° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C5 | C37 | C9 | 120.1° | 120.1° |
| C5 | C37 | H38 | 120.0° | 120.0° |
| C23 | C18 | N4 | 122.7° | 118.8° |
| C18 | C23 | H22 | 120.4° | 120.3° |
| C18 | N4 | C17 | 126.2° | 116.4° |
| C18 | N4 | H18 | 116.9° | 122.3° |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C7 | C6 | H6 | 120.1° | 119.9° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C37 | C9 | C8 | 120.0° | 119.9° |
| C37 | C9 | O4 | 120.4° | 120.7° |
| C9 | C37 | H38 | 119.9° | 119.9° |
| C7 | C8 | C9 | 119.9° | 119.9° |
| C8 | C7 | H7 | 120.0° | 119.9° |
| C7 | C8 | H8 | 120.1° | 120.1° |
| C36 | N3 | C16 | 107.7° | 108.7° |
| C36 | N3 | C15 | 122.1° | 126.2° |
| N3 | C36 | H37 | 110.4° | 109.7° |
| N3 | C36 | H36 | 110.3° | 109.7° |
| C8 | C9 | O4 | 119.6° | 119.4° |
| C9 | C8 | H8 | 120.1° | 120.1° |
| C9 | O4 | C10 | 114.6° | 118.8° |
| C17 | C16 | N3 | 101.9° | 109.3° |
| C16 | C17 | N4 | 124.4° | 118.6° |
| C16 | C17 | O7 | 117.8° | 120.8° |
| C17 | C16 | H17 | 110.1° | 109.9° |
| C16 | N3 | C15 | 130.2° | 125.1° |
| N3 | C16 | H17 | 110.7° | 109.9° |
| N4 | C17 | O7 | 117.8° | 120.7° |
| C17 | N4 | H18 | 116.9° | 121.2° |
| O4 | C10 | C11 | 122.2° | 119.3° |
| O4 | C10 | O5 | 118.4° | 120.3° |
| N3 | C15 | O6 | 116.5° | 119.7° |
| N3 | C15 | C14 | 123.7° | 120.7° |
| C11 | C10 | O5 | 119.4° | 120.3° |
| C10 | C11 | C12 | 107.6° | 110.3° |
| C10 | C11 | H10 | 109.9° | 109.4° |
| C10 | C11 | H9 | 109.9° | 109.3° |
| O6 | C15 | C14 | 119.8° | 119.6° |
| C15 | C14 | C13 | 106.7° | 109.7° |
| C15 | C14 | H15 | 110.1° | 109.4° |
| C15 | C14 | H16 | 110.1° | 109.4° |
| C11 | C12 | C13 | 113.7° | 109.4° |
| C12 | C11 | H10 | 110.0° | 109.4° |
| C12 | C11 | H9 | 109.9° | 109.3° |
| C11 | C12 | H12 | 108.4° | 109.5° |
| C11 | C12 | H11 | 108.4° | 109.5° |
| C14 | C13 | C12 | 113.0° | 109.8° |
| C14 | C13 | H13 | 108.6° | 109.4° |
| C14 | C13 | H14 | 108.6° | 109.4° |
| C13 | C14 | H15 | 110.2° | 109.4° |
| C13 | C14 | H16 | 110.1° | 109.4° |
| C13 | C12 | H12 | 108.4° | 109.5° |
| C13 | C12 | H11 | 108.4° | 109.5° |
| C12 | C13 | H13 | 108.6° | 109.4° |
| C12 | C13 | H14 | 108.6° | 109.4° |
| H10 | C11 | H9 | 109.5° | 109.2° |
| H12 | C12 | H11 | 109.5° | 109.5° |
| H13 | C13 | H14 | 109.5° | 109.4° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H3 | C3 | H2 | 109.5° | 109.5° |
| H33 | C34 | H32 | 109.5° | 110.2° |
| H34 | C35 | H35 | 109.5° | 110.1° |
| H37 | C36 | H36 | 109.5° | 109.7° |
| H4 | N2 | H5 | 120.0° | 119.9° |
| H26 | N6 | H25 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C25 | O10 | C24 | 177.0° | 180.0° |
| N6 | C25 | C24 | N5 | 81.2° | 175.0° |
| N6 | C25 | C24 | H23 | 40.1° | 55.1° |
| N6 | C25 | C24 | H24 | 157.4° | 65.0° |
| C25 | N6 | H26 | H25 | 180.0° | 179.9° |
| O10 | C25 | C24 | N5 | 101.7° | 5.0° |
| O10 | C25 | C24 | H23 | 136.9° | 125.0° |
| O10 | C25 | C24 | H24 | 19.7° | 115.0° |
| O10 | C25 | N6 | H26 | 0.0° | 180.0° |
| O10 | C25 | N6 | H25 | 180.0° | 0.0° |
| C25 | C24 | N5 | H23 | 121.4° | 119.9° |
| C25 | C24 | N5 | H24 | 121.4° | 120.1° |
| C25 | C24 | N5 | C26 | 64.8° | 65.0° |
| C25 | C24 | N5 | S2 | 125.0° | 114.9° |
| C25 | C24 | H23 | H24 | 115.5° | 120.0° |
| C24 | C25 | N6 | H26 | 177.0° | 0.0° |
| C24 | C25 | N6 | H25 | 3.0° | 179.9° |
| C28 | C29 | C30 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 1.1° | 0.5° |
| C29 | C28 | C27 | C32 | 0.1° | 1.4° |
| C29 | C28 | C27 | C26 | 179.4° | 178.6° |
| C28 | C29 | C30 | H29 | 178.9° | 179.5° |
| C30 | C29 | C28 | C27 | 0.7° | 0.2° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.8° | 0.0° |
| C30 | C29 | C28 | H27 | 179.3° | 179.8° |
| C29 | C30 | C31 | H30 | 179.2° | 180.0° |
| C24 | N5 | C26 | C27 | 109.1° | 51.2° |
| C24 | N5 | C26 | S2 | 170.4° | 179.9° |
| C24 | N5 | C26 | C33 | 73.1° | 129.0° |
| C24 | N5 | S2 | O8 | 31.0° | 35.4° |
| C24 | N5 | S2 | O9 | 156.6° | 168.3° |
| C24 | N5 | S2 | C21 | 83.4° | 78.2° |
| N5 | C24 | H23 | H24 | 115.6° | 120.0° |
| C28 | C27 | C32 | C26 | 179.3° | 180.0° |
| C28 | C27 | C32 | C31 | 0.4° | 1.8° |
| C28 | C27 | C26 | N5 | 1.4° | 3.3° |
| C28 | C27 | C32 | C2 | 179.9° | 177.6° |
| C28 | C27 | C26 | C33 | 179.1° | 176.5° |
| C27 | C28 | C29 | H28 | 179.3° | 179.8° |
| C30 | C31 | C32 | C27 | 0.0° | 1.1° |
| C30 | C31 | C32 | H30 | 180.0° | 180.0° |
| C30 | C31 | C32 | C2 | 179.4° | 178.3° |
| C31 | C30 | C29 | H28 | 178.8° | 179.5° |
| N2 | C4 | O1 | C3 | 179.8° | 180.0° |
| N2 | C4 | C3 | N1 | 179.1° | 173.2° |
| N2 | C4 | C3 | H3 | 60.2° | 66.9° |
| N2 | C4 | C3 | H2 | 58.4° | 53.2° |
| C4 | N2 | H4 | H5 | 180.0° | 180.0° |
| O1 | C4 | C3 | N1 | 0.7° | 6.8° |
| O1 | C4 | C3 | H3 | 120.1° | 113.1° |
| O1 | C4 | C3 | H2 | 121.4° | 126.8° |
| O1 | C4 | N2 | H4 | 0.0° | 180.0° |
| O1 | C4 | N2 | H5 | 180.0° | 0.0° |
| C27 | C32 | C31 | C2 | 179.5° | 179.4° |
| C32 | C27 | C26 | N5 | 179.3° | 176.7° |
| C32 | C27 | C26 | C33 | 1.7° | 3.5° |
| C27 | C32 | C2 | C1 | 0.0° | 0.7° |
| C27 | C32 | C2 | N1 | 179.2° | 179.6° |
| C32 | C27 | C28 | H27 | 179.9° | 178.7° |
| C27 | C32 | C31 | H30 | 180.0° | 178.9° |
| C26 | C27 | C32 | C31 | 179.7° | 178.2° |
| C27 | C26 | N5 | C33 | 177.8° | 179.8° |
| C27 | C26 | N5 | S2 | 80.5° | 129.0° |
| C26 | C27 | C32 | C2 | 0.8° | 2.3° |
| C27 | C26 | C33 | C1 | 1.7° | 1.7° |
| C26 | C27 | C28 | H27 | 0.7° | 1.3° |
| C27 | C26 | C33 | H31 | 178.3° | 178.4° |
| C31 | C32 | C2 | C1 | 179.5° | 178.8° |
| C31 | C32 | C2 | N1 | 0.2° | 0.1° |
| C32 | C31 | C30 | H29 | 179.2° | 179.9° |
| C4 | C3 | N1 | H3 | 120.7° | 120.0° |
| C4 | C3 | N1 | H2 | 120.7° | 120.0° |
| C4 | C3 | N1 | C2 | 105.9° | 109.7° |
| C4 | C3 | N1 | S1 | 82.3° | 70.3° |
| C4 | C3 | H3 | H2 | 117.8° | 120.0° |
| C3 | C4 | N2 | H4 | 179.8° | 0.0° |
| C3 | C4 | N2 | H5 | 0.2° | 180.0° |
| C26 | N5 | S2 | O8 | 158.3° | 144.7° |
| C26 | N5 | S2 | O9 | 32.7° | 11.9° |
| C26 | N5 | S2 | C21 | 87.3° | 101.7° |
| N5 | C26 | C33 | C1 | 179.6° | 178.5° |
| C26 | N5 | C24 | H23 | 173.8° | 54.9° |
| C26 | N5 | C24 | H24 | 56.6° | 175.0° |
| N5 | C26 | C33 | H31 | 0.4° | 1.5° |
| S2 | N5 | C26 | C33 | 97.3° | 50.9° |
| N5 | S2 | O8 | O9 | 124.9° | 122.8° |
| N5 | S2 | O8 | C21 | 109.1° | 114.3° |
| N5 | S2 | O9 | C21 | 113.3° | 114.3° |
| N5 | S2 | C21 | C20 | 94.0° | 36.7° |
| N5 | S2 | C21 | C22 | 83.5° | 143.2° |
| S2 | N5 | C24 | H23 | 3.6° | 125.2° |
| S2 | N5 | C24 | H24 | 113.6° | 5.2° |
| C32 | C2 | N1 | C3 | 100.8° | 35.9° |
| C32 | C2 | C1 | N1 | 179.3° | 178.9° |
| C32 | C2 | C1 | C33 | 0.0° | 2.5° |
| C32 | C2 | N1 | S1 | 86.8° | 144.1° |
| C32 | C2 | C1 | H1 | 180.0° | 177.8° |
| C2 | C32 | C31 | H30 | 0.5° | 1.7° |
| C26 | C33 | C1 | C2 | 0.8° | 1.4° |
| C26 | C33 | C1 | H31 | 180.0° | 180.0° |
| C26 | C33 | C1 | H1 | 179.2° | 178.9° |
| O8 | S2 | O9 | C21 | 124.1° | 122.9° |
| O8 | S2 | C21 | C20 | 19.7° | 76.9° |
| O8 | S2 | C21 | C22 | 162.9° | 103.2° |
| C3 | N1 | C2 | C1 | 79.9° | 145.2° |
| C3 | N1 | C2 | S1 | 172.4° | 180.0° |
| C3 | N1 | S1 | O2 | 135.6° | 179.7° |
| C3 | N1 | S1 | O3 | 10.5° | 47.0° |
| C3 | N1 | S1 | C5 | 108.3° | 66.7° |
| N1 | C3 | H3 | H2 | 117.8° | 120.0° |
| C2 | C1 | C33 | H1 | 180.0° | 179.7° |
| C1 | C2 | N1 | S1 | 92.5° | 34.8° |
| C2 | C1 | C33 | H31 | 179.2° | 178.6° |
| N1 | C2 | C1 | C33 | 179.3° | 178.5° |
| C2 | N1 | S1 | O2 | 51.8° | 0.3° |
| C2 | N1 | S1 | O3 | 176.9° | 133.0° |
| C2 | N1 | S1 | C5 | 64.2° | 113.4° |
| N1 | C2 | C1 | H1 | 0.7° | 1.1° |
| C2 | N1 | C3 | H3 | 14.9° | 10.3° |
| C2 | N1 | C3 | H2 | 133.4° | 130.3° |
| O9 | S2 | C21 | C20 | 146.2° | 150.2° |
| O9 | S2 | C21 | C22 | 36.4° | 29.7° |
| S2 | C21 | C20 | C22 | 177.5° | 179.9° |
| S2 | C21 | C20 | C19 | 179.2° | 179.5° |
| S2 | C21 | C22 | C23 | 178.5° | 178.8° |
| S2 | C21 | C20 | H20 | 0.8° | 0.4° |
| S2 | C21 | C22 | H21 | 1.5° | 1.2° |
| N1 | S1 | O2 | O3 | 122.3° | 122.7° |
| N1 | S1 | O2 | C5 | 107.3° | 114.6° |
| N1 | S1 | O3 | C5 | 109.4° | 114.6° |
| N1 | S1 | C5 | C6 | 95.2° | 77.8° |
| N1 | S1 | C5 | C37 | 81.2° | 102.8° |
| S1 | N1 | C3 | H3 | 157.0° | 169.7° |
| S1 | N1 | C3 | H2 | 38.4° | 49.7° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 2.7° | 0.6° |
| C20 | C21 | C22 | C23 | 1.2° | 1.1° |
| C21 | C20 | C19 | H19 | 177.3° | 179.4° |
| C20 | C21 | C22 | H21 | 178.9° | 178.9° |
| C19 | C20 | C21 | C22 | 1.7° | 0.4° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 3.2° | 0.8° |
| C20 | C19 | C18 | N4 | 178.3° | 178.3° |
| C21 | C22 | C23 | H21 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 1.6° | 0.8° |
| C22 | C21 | C20 | H20 | 178.3° | 179.8° |
| C21 | C22 | C23 | H22 | 178.4° | 179.3° |
| O2 | S1 | O3 | C5 | 129.5° | 122.7° |
| O2 | S1 | C5 | C6 | 17.7° | 168.5° |
| O2 | S1 | C5 | C37 | 165.8° | 10.9° |
| O3 | S1 | C5 | C6 | 148.7° | 35.8° |
| O3 | S1 | C5 | C37 | 34.8° | 143.6° |
| S1 | C5 | C6 | C37 | 176.5° | 179.4° |
| S1 | C5 | C6 | C7 | 178.0° | 179.8° |
| S1 | C5 | C37 | C9 | 178.4° | 179.8° |
| S1 | C5 | C37 | H38 | 1.6° | 0.3° |
| S1 | C5 | C6 | H6 | 2.0° | 0.1° |
| C19 | C18 | C23 | C22 | 2.7° | 0.1° |
| C19 | C18 | C23 | N4 | 174.8° | 179.2° |
| C19 | C18 | N4 | C17 | 128.4° | 167.2° |
| C18 | C19 | C20 | H20 | 177.3° | 179.3° |
| C19 | C18 | C23 | H22 | 177.3° | 179.8° |
| C19 | C18 | N4 | H18 | 51.6° | 11.9° |
| C22 | C23 | C18 | H22 | 180.0° | 179.9° |
| C22 | C23 | C18 | N4 | 177.4° | 179.0° |
| C34 | C35 | C36 | H34 | 119.8° | 119.2° |
| C34 | C35 | C36 | H35 | 119.8° | 119.2° |
| C35 | C34 | C16 | H33 | 119.5° | 118.9° |
| C35 | C34 | C16 | H32 | 119.5° | 119.1° |
| C34 | C35 | C36 | N3 | 7.0° | 1.2° |
| C35 | C34 | C16 | C17 | 97.7° | 138.7° |
| C35 | C34 | C16 | N3 | 15.5° | 19.6° |
| C35 | C34 | C16 | H17 | 137.0° | 99.9° |
| C35 | C34 | H33 | H32 | 121.5° | 122.2° |
| C34 | C35 | H34 | H35 | 120.7° | 121.7° |
| C34 | C35 | C36 | H37 | 112.4° | 120.9° |
| C34 | C35 | C36 | H36 | 126.4° | 118.5° |
| C36 | C35 | C34 | C16 | 5.0° | 11.1° |
| C35 | C36 | N3 | H37 | 119.4° | 119.8° |
| C35 | C36 | N3 | H36 | 119.4° | 119.7° |
| C35 | C36 | N3 | C16 | 16.6° | 13.7° |
| C35 | C36 | N3 | C15 | 165.1° | 165.9° |
| C36 | C35 | C34 | H33 | 114.4° | 107.8° |
| C36 | C35 | C34 | H32 | 124.5° | 130.2° |
| C36 | C35 | H34 | H35 | 120.7° | 121.6° |
| C35 | C36 | H37 | H36 | 121.7° | 120.6° |
| C34 | C16 | N3 | C36 | 20.3° | 21.0° |
| C34 | C16 | C17 | N3 | 117.2° | 118.0° |
| C34 | C16 | C17 | H17 | 125.3° | 121.4° |
| C34 | C16 | N3 | H17 | 121.3° | 119.5° |
| C34 | C16 | C17 | N4 | 61.4° | 126.8° |
| C34 | C16 | C17 | O7 | 119.5° | 53.2° |
| C34 | C16 | N3 | C15 | 161.5° | 158.7° |
| C16 | C34 | H33 | H32 | 121.6° | 122.0° |
| C16 | C34 | C35 | H34 | 114.7° | 130.3° |
| C16 | C34 | C35 | H35 | 124.8° | 108.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C6 | C5 | C37 | C9 | 2.0° | 0.4° |
| C5 | C6 | C7 | C8 | 0.5° | 0.1° |
| C6 | C5 | C37 | H38 | 178.0° | 179.7° |
| C5 | C6 | C7 | H7 | 179.5° | 179.9° |
| C37 | C5 | C6 | C7 | 1.5° | 0.4° |
| C5 | C37 | C9 | H38 | 180.0° | 179.9° |
| C5 | C37 | C9 | C8 | 1.4° | 0.0° |
| C5 | C37 | C9 | O4 | 178.9° | 179.5° |
| C37 | C5 | C6 | H6 | 178.5° | 179.5° |
| C23 | C18 | N4 | C17 | 56.7° | 12.0° |
| C23 | C18 | C19 | H19 | 176.8° | 179.1° |
| C18 | C23 | C22 | H21 | 178.4° | 179.2° |
| C23 | C18 | N4 | H18 | 123.3° | 168.9° |
| C18 | N4 | C17 | C16 | 0.2° | 165.6° |
| C18 | N4 | C17 | H18 | 180.0° | 179.1° |
| C18 | N4 | C17 | O7 | 179.0° | 14.4° |
| N4 | C18 | C19 | H19 | 1.8° | 1.7° |
| N4 | C18 | C23 | H22 | 2.6° | 1.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.3° |
| C6 | C7 | C8 | H8 | 179.9° | 179.7° |
| C37 | C9 | C8 | C7 | 0.4° | 0.4° |
| C37 | C9 | C8 | O4 | 179.7° | 179.6° |
| C37 | C9 | O4 | C10 | 124.8° | 1.0° |
| C37 | C9 | C8 | H8 | 179.6° | 179.6° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | O4 | 179.9° | 179.2° |
| C8 | C7 | C6 | H6 | 179.5° | 179.9° |
| C36 | N3 | C16 | C17 | 101.2° | 140.9° |
| C36 | N3 | C16 | C15 | 178.2° | 179.7° |
| C36 | N3 | C15 | O6 | 2.1° | 178.5° |
| C36 | N3 | C15 | C14 | 179.6° | 1.6° |
| C36 | N3 | C16 | H17 | 141.7° | 98.5° |
| N3 | C36 | C35 | H34 | 126.8° | 118.0° |
| N3 | C36 | C35 | H35 | 112.8° | 120.3° |
| N3 | C36 | H37 | H36 | 121.7° | 120.5° |
| C8 | C9 | O4 | C10 | 55.5° | 179.4° |
| C8 | C9 | C37 | H38 | 178.5° | 179.9° |
| C9 | C8 | C7 | H7 | 179.9° | 179.7° |
| C9 | O4 | C10 | C11 | 136.0° | 175.1° |
| C9 | O4 | C10 | O5 | 43.5° | 5.0° |
| O4 | C9 | C37 | H38 | 1.2° | 0.6° |
| O4 | C9 | C8 | H8 | 0.1° | 0.8° |
| C17 | C16 | N3 | H17 | 117.1° | 120.6° |
| C16 | C17 | N4 | O7 | 179.2° | 180.0° |
| C17 | C16 | N3 | C15 | 76.9° | 38.8° |
| C17 | C16 | C34 | H33 | 142.8° | 19.8° |
| C17 | C16 | C34 | H32 | 21.7° | 102.1° |
| C16 | C17 | N4 | H18 | 179.8° | 13.5° |
| N3 | C16 | C17 | N4 | 178.5° | 115.2° |
| N3 | C16 | C17 | O7 | 2.3° | 64.8° |
| C16 | N3 | C15 | O6 | 179.9° | 1.9° |
| C16 | N3 | C15 | C14 | 2.5° | 178.0° |
| N3 | C16 | C34 | H33 | 103.9° | 99.3° |
| N3 | C16 | C34 | H32 | 135.0° | 138.8° |
| C16 | N3 | C36 | H37 | 102.8° | 133.5° |
| C16 | N3 | C36 | H36 | 136.0° | 106.0° |
| N4 | C17 | C16 | H17 | 64.0° | 5.4° |
| O4 | C10 | C11 | O5 | 179.5° | 179.9° |
| O4 | C10 | C11 | C12 | 152.9° | 132.9° |
| O4 | C10 | C11 | H10 | 33.2° | 12.6° |
| O4 | C10 | C11 | H9 | 87.4° | 106.9° |
| O7 | C17 | C16 | H17 | 115.2° | 174.6° |
| O7 | C17 | N4 | H18 | 1.0° | 166.5° |
| N3 | C15 | O6 | C14 | 177.5° | 179.9° |
| N3 | C15 | C14 | C13 | 150.8° | 129.5° |
| N3 | C15 | C14 | H15 | 31.2° | 110.5° |
| N3 | C15 | C14 | H16 | 89.7° | 9.4° |
| C15 | N3 | C16 | H17 | 40.1° | 81.8° |
| C15 | N3 | C36 | H37 | 75.5° | 46.1° |
| C15 | N3 | C36 | H36 | 45.6° | 74.4° |
| C10 | C11 | C12 | H10 | 119.7° | 120.3° |
| C10 | C11 | C12 | H9 | 119.7° | 120.2° |
| C10 | C11 | C12 | C13 | 134.8° | 135.3° |
| C10 | C11 | H10 | H9 | 120.8° | 119.5° |
| C10 | C11 | C12 | H12 | 104.6° | 15.3° |
| C10 | C11 | C12 | H11 | 14.1° | 104.7° |
| O5 | C10 | C11 | C12 | 26.6° | 47.0° |
| O5 | C10 | C11 | H10 | 146.4° | 167.3° |
| O5 | C10 | C11 | H9 | 93.1° | 73.2° |
| O6 | C15 | C14 | C13 | 26.6° | 50.4° |
| O6 | C15 | C14 | H15 | 146.2° | 69.6° |
| O6 | C15 | C14 | H16 | 93.0° | 170.5° |
| C15 | C14 | C13 | H15 | 119.6° | 120.0° |
| C15 | C14 | C13 | H16 | 119.5° | 120.0° |
| C15 | C14 | C13 | C12 | 101.2° | 93.1° |
| C15 | C14 | C13 | H13 | 138.3° | 146.8° |
| C15 | C14 | C13 | H14 | 19.4° | 27.0° |
| C15 | C14 | H15 | H16 | 121.3° | 119.8° |
| C11 | C12 | C13 | C14 | 60.2° | 133.9° |
| C11 | C12 | C13 | H12 | 120.6° | 120.0° |
| C11 | C12 | C13 | H11 | 120.6° | 120.0° |
| C12 | C11 | H10 | H9 | 120.9° | 119.6° |
| C11 | C12 | H12 | H11 | 118.1° | 120.0° |
| C11 | C12 | C13 | H13 | 179.2° | 13.8° |
| C11 | C12 | C13 | H14 | 60.3° | 106.0° |
| C14 | C13 | C12 | H13 | 120.5° | 120.1° |
| C14 | C13 | C12 | H14 | 120.5° | 120.0° |
| C14 | C13 | C12 | H12 | 179.1° | 106.1° |
| C14 | C13 | C12 | H11 | 60.4° | 13.9° |
| C14 | C13 | H13 | H14 | 118.4° | 119.8° |
| C13 | C14 | H15 | H16 | 121.3° | 119.9° |
| C13 | C12 | C11 | H10 | 15.1° | 104.4° |
| C13 | C12 | C11 | H9 | 105.5° | 15.1° |
| C13 | C12 | H12 | H11 | 118.1° | 120.0° |
| C12 | C13 | H13 | H14 | 118.4° | 119.9° |
| C12 | C13 | C14 | H15 | 18.4° | 26.9° |
| C12 | C13 | C14 | H16 | 139.3° | 146.9° |
| H1 | C1 | C33 | H31 | 0.8° | 1.1° |
| H10 | C11 | C12 | H12 | 135.7° | 135.6° |
| H10 | C11 | C12 | H11 | 105.6° | 15.6° |
| H9 | C11 | C12 | H12 | 15.1° | 104.9° |
| H9 | C11 | C12 | H11 | 133.9° | 135.2° |
| H12 | C12 | C13 | H13 | 58.6° | 133.8° |
| H12 | C12 | C13 | H14 | 60.3° | 14.0° |
| H11 | C12 | C13 | H13 | 60.1° | 106.2° |
| H11 | C12 | C13 | H14 | 179.1° | 134.0° |
| H13 | C13 | C14 | H15 | 102.2° | 93.2° |
| H13 | C13 | C14 | H16 | 18.7° | 26.8° |
| H14 | C13 | C14 | H15 | 138.9° | 147.0° |
| H14 | C13 | C14 | H16 | 100.2° | 93.1° |
| H17 | C16 | C34 | H33 | 17.6° | 141.2° |
| H17 | C16 | C34 | H32 | 103.5° | 19.3° |
| H19 | C19 | C20 | H20 | 2.6° | 0.7° |
| H21 | C22 | C23 | H22 | 1.6° | 0.8° |
| H27 | C28 | C29 | H28 | 0.7° | 0.2° |
| H28 | C29 | C30 | H29 | 1.2° | 0.5° |
| H29 | C30 | C31 | H30 | 0.8° | 0.0° |
| H33 | C34 | C35 | H34 | 125.8° | 11.4° |
| H33 | C34 | C35 | H35 | 5.4° | 133.1° |
| H32 | C34 | C35 | H34 | 4.8° | 110.7° |
| H32 | C34 | C35 | H35 | 115.7° | 11.0° |
| H34 | C35 | C36 | H37 | 7.4° | 1.7° |
| H34 | C35 | C36 | H36 | 113.8° | 122.3° |
| H35 | C35 | C36 | H37 | 127.8° | 119.9° |
| H35 | C35 | C36 | H36 | 6.7° | 0.6° |
| H6 | C6 | C7 | H7 | 0.5° | 0.2° |
| H7 | C7 | C8 | H8 | 0.1° | 0.2° |
