A1AZR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C36 | O10 | sing | 1.43Å | 1.43Å | |
| O10 | C35 | sing | 1.43Å | 1.42Å | |
| C35 | C34 | sing | 1.53Å | 1.51Å | |
| C34 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| O6 | C27 | doub | 1.22Å | 1.25Å | |
| C27 | O7 | sing | 1.35Å | 1.26Å | |
| C27 | C25 | sing | 1.47Å | 1.51Å | |
| C33 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | S1 | sing | 1.76Å | 1.77Å | |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| O9 | S1 | doub | 1.42Å | 1.44Å | |
| S1 | N3 | sing | 1.65Å | 1.60Å | |
| S1 | O8 | doub | 1.42Å | 1.44Å | |
| C24 | N3 | sing | 1.39Å | 1.40Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | N2 | sing | 1.40Å | 1.42Å | |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C20 | sing | 1.35Å | 1.36Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.51Å | |
| C20 | O5 | doub | 1.21Å | 1.23Å | |
| C17 | N1 | sing | 1.35Å | 1.36Å | |
| C17 | O4 | doub | 1.21Å | 1.23Å | |
| N1 | C13 | sing | 1.40Å | 1.42Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.51Å | |
| C10 | N | sing | 1.39Å | 1.42Å | |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| O1 | S | doub | 1.42Å | 1.44Å | |
| C16 | O3 | doub | 1.22Å | 1.26Å | |
| C16 | O2 | sing | 1.35Å | 1.25Å | |
| C7 | S | sing | 1.76Å | 1.77Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| N | S | sing | 1.66Å | 1.60Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| S | O | doub | 1.42Å | 1.44Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C33 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.08Å | 1.08Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C34 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C35 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C36 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H25 | sing | 1.08Å | 1.08Å | |
| N3 | H36 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| O7 | H37 | sing | 0.97Å | 0.95Å | |
| C26 | H24 | sing | 1.08Å | 1.08Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H16 | sing | 0.97Å | 1.00Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| O2 | H38 | sing | 0.97Å | 0.95Å | |
| N | H39 | sing | 0.97Å | 1.00Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | O10 | C35 | 114.6° | 114.0° |
| O10 | C36 | H35 | 109.5° | 109.5° |
| O10 | C36 | H33 | 109.5° | 109.5° |
| O10 | C36 | H34 | 109.5° | 109.5° |
| O10 | C35 | C34 | 107.8° | 109.4° |
| O10 | C35 | H31 | 109.9° | 109.5° |
| O10 | C35 | H32 | 109.9° | 109.5° |
| C35 | C34 | C31 | 114.8° | 109.4° |
| C35 | C34 | H29 | 108.1° | 109.5° |
| C35 | C34 | H30 | 108.1° | 109.4° |
| C34 | C35 | H31 | 109.9° | 109.5° |
| C34 | C35 | H32 | 109.9° | 109.4° |
| C34 | C31 | C30 | 120.3° | 120.0° |
| C34 | C31 | C32 | 120.9° | 120.0° |
| C31 | C34 | H29 | 108.1° | 109.5° |
| C31 | C34 | H30 | 108.1° | 109.5° |
| C30 | C31 | C32 | 118.4° | 119.9° |
| C31 | C30 | C29 | 121.2° | 120.0° |
| C31 | C30 | H26 | 119.4° | 119.9° |
| C31 | C32 | C33 | 121.2° | 120.0° |
| C31 | C32 | H27 | 119.4° | 120.0° |
| C30 | C29 | C28 | 119.4° | 120.0° |
| C29 | C30 | H26 | 119.4° | 120.0° |
| C30 | C29 | H25 | 120.3° | 120.0° |
| C32 | C33 | C28 | 119.3° | 120.0° |
| C32 | C33 | H28 | 120.3° | 120.0° |
| C33 | C32 | H27 | 119.4° | 119.9° |
| C29 | C28 | C33 | 120.4° | 120.0° |
| C29 | C28 | S1 | 119.7° | 120.0° |
| C28 | C29 | H25 | 120.3° | 120.0° |
| O6 | C27 | O7 | 123.4° | 120.0° |
| O6 | C27 | C25 | 118.6° | 120.0° |
| O7 | C27 | C25 | 117.9° | 120.0° |
| C27 | O7 | H37 | 109.5° | 117.0° |
| C27 | C25 | C26 | 117.5° | 120.2° |
| C27 | C25 | C24 | 123.0° | 120.2° |
| C33 | C28 | S1 | 119.7° | 120.0° |
| C28 | C33 | H28 | 120.4° | 120.0° |
| C28 | S1 | O9 | 107.1° | 106.4° |
| C28 | S1 | N3 | 105.5° | 107.2° |
| C28 | S1 | O8 | 107.2° | 106.4° |
| C26 | C25 | C24 | 119.5° | 119.7° |
| C25 | C26 | C21 | 120.2° | 119.8° |
| C25 | C26 | H24 | 119.9° | 120.1° |
| C25 | C24 | N3 | 122.8° | 120.1° |
| C25 | C24 | C23 | 119.8° | 119.8° |
| C26 | C21 | N2 | 119.3° | 119.9° |
| C26 | C21 | C22 | 120.0° | 120.2° |
| C21 | C26 | H24 | 119.9° | 120.1° |
| O9 | S1 | N3 | 109.4° | 106.4° |
| O9 | S1 | O8 | 116.0° | 123.2° |
| N3 | S1 | O8 | 111.1° | 106.4° |
| S1 | N3 | C24 | 123.3° | 120.0° |
| S1 | N3 | H36 | 105.9° | 120.1° |
| N3 | C24 | C23 | 117.3° | 120.1° |
| C24 | N3 | H36 | 105.9° | 119.9° |
| C24 | C23 | C22 | 120.0° | 120.2° |
| C24 | C23 | H23 | 120.0° | 119.9° |
| N2 | C21 | C22 | 120.7° | 119.9° |
| C21 | N2 | C20 | 128.0° | 120.0° |
| C21 | N2 | H21 | 116.0° | 120.0° |
| C21 | C22 | C23 | 120.4° | 120.3° |
| C21 | C22 | H22 | 119.8° | 119.9° |
| N2 | C20 | C19 | 114.9° | 120.0° |
| N2 | C20 | O5 | 123.8° | 120.0° |
| C20 | N2 | H21 | 116.0° | 120.0° |
| C18 | C19 | C20 | 112.6° | 109.5° |
| C19 | C18 | C17 | 112.7° | 109.5° |
| C18 | C19 | H20 | 108.7° | 109.4° |
| C18 | C19 | H19 | 108.7° | 109.5° |
| C19 | C18 | H18 | 108.7° | 109.4° |
| C19 | C18 | H17 | 108.7° | 109.4° |
| C19 | C20 | O5 | 121.3° | 119.9° |
| C20 | C19 | H20 | 108.7° | 109.5° |
| C20 | C19 | H19 | 108.7° | 109.5° |
| C22 | C23 | H23 | 120.0° | 119.9° |
| C23 | C22 | H22 | 119.8° | 119.8° |
| C18 | C17 | N1 | 114.9° | 120.0° |
| C18 | C17 | O4 | 121.2° | 120.0° |
| C17 | C18 | H18 | 108.7° | 109.5° |
| C17 | C18 | H17 | 108.6° | 109.5° |
| N1 | C17 | O4 | 123.9° | 120.1° |
| C17 | N1 | C13 | 128.3° | 120.0° |
| C17 | N1 | H16 | 115.8° | 120.0° |
| N1 | C13 | C12 | 117.4° | 119.9° |
| N1 | C13 | C14 | 122.7° | 119.9° |
| C13 | N1 | H16 | 115.8° | 120.0° |
| C12 | C13 | C14 | 119.8° | 120.2° |
| C13 | C12 | C11 | 120.6° | 120.4° |
| C13 | C12 | H14 | 119.7° | 119.8° |
| C13 | C14 | C15 | 120.2° | 119.9° |
| C13 | C14 | H15 | 119.9° | 120.1° |
| C12 | C11 | C10 | 120.0° | 120.2° |
| C11 | C12 | H14 | 119.7° | 119.8° |
| C12 | C11 | H13 | 120.0° | 119.9° |
| C14 | C15 | C10 | 119.9° | 119.6° |
| C14 | C15 | C16 | 118.1° | 120.2° |
| C15 | C14 | H15 | 119.9° | 120.0° |
| C11 | C10 | C15 | 119.5° | 119.8° |
| C11 | C10 | N | 124.0° | 120.2° |
| C10 | C11 | H13 | 120.0° | 119.9° |
| C10 | C15 | C16 | 122.0° | 120.2° |
| C15 | C10 | N | 116.5° | 120.1° |
| C15 | C16 | O3 | 118.0° | 119.9° |
| C15 | C16 | O2 | 118.0° | 120.0° |
| C10 | N | S | 126.2° | 120.0° |
| C10 | N | H39 | 105.2° | 120.0° |
| C8 | C9 | C4 | 121.3° | 120.0° |
| C9 | C8 | C7 | 119.3° | 120.0° |
| C9 | C8 | H11 | 120.4° | 120.0° |
| C8 | C9 | H12 | 119.4° | 120.0° |
| C9 | C4 | C3 | 120.5° | 120.0° |
| C9 | C4 | C5 | 118.4° | 120.0° |
| C4 | C9 | H12 | 119.4° | 120.0° |
| C4 | C3 | C2 | 117.6° | 109.4° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C4 | C3 | H7 | 107.4° | 109.4° |
| C4 | C3 | H8 | 107.4° | 109.5° |
| C3 | C2 | C1 | 113.8° | 109.4° |
| C2 | C3 | H7 | 107.4° | 109.5° |
| C2 | C3 | H8 | 107.4° | 109.5° |
| C3 | C2 | H6 | 108.4° | 109.5° |
| C3 | C2 | H5 | 108.4° | 109.5° |
| C8 | C7 | S | 119.9° | 120.0° |
| C8 | C7 | C6 | 120.4° | 120.0° |
| C7 | C8 | H11 | 120.4° | 120.0° |
| C4 | C5 | C6 | 121.3° | 120.0° |
| C4 | C5 | H9 | 119.4° | 120.0° |
| O1 | S | C7 | 107.2° | 106.4° |
| O1 | S | N | 110.8° | 106.4° |
| O1 | S | O | 116.5° | 123.1° |
| O3 | C16 | O2 | 123.9° | 120.1° |
| C16 | O2 | H38 | 109.5° | 117.0° |
| S | C7 | C6 | 119.6° | 120.0° |
| C7 | S | N | 110.2° | 107.2° |
| C7 | S | O | 106.7° | 106.4° |
| C7 | C6 | C5 | 119.4° | 120.0° |
| C7 | C6 | H10 | 120.3° | 120.0° |
| N | S | O | 105.3° | 106.4° |
| S | N | H39 | 105.1° | 120.0° |
| C2 | C1 | C | 113.2° | 109.5° |
| C1 | C2 | H6 | 108.4° | 109.5° |
| C1 | C2 | H5 | 108.4° | 109.4° |
| C2 | C1 | H3 | 108.6° | 109.5° |
| C2 | C1 | H4 | 108.5° | 109.5° |
| C5 | C6 | H10 | 120.3° | 120.0° |
| C6 | C5 | H9 | 119.4° | 120.0° |
| C | C1 | H3 | 108.5° | 109.5° |
| C | C1 | H4 | 108.6° | 109.4° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H | 109.4° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| H29 | C34 | H30 | 109.4° | 109.5° |
| H31 | C35 | H32 | 109.5° | 109.5° |
| H35 | C36 | H33 | 109.5° | 109.4° |
| H35 | C36 | H34 | 109.5° | 109.4° |
| H33 | C36 | H34 | 109.5° | 109.5° |
| H20 | C19 | H19 | 109.5° | 109.4° |
| H18 | C18 | H17 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| H6 | C2 | H5 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H2 | C | H | 109.5° | 109.5° |
| H2 | C | H1 | 109.5° | 109.4° |
| H | C | H1 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | O10 | C35 | C34 | 179.2° | 180.0° |
| C36 | O10 | C35 | H31 | 59.4° | 60.0° |
| C36 | O10 | C35 | H32 | 61.0° | 60.1° |
| O10 | C36 | H35 | H33 | 120.0° | 120.0° |
| O10 | C36 | H35 | H34 | 120.0° | 120.1° |
| O10 | C36 | H33 | H34 | 120.0° | 120.1° |
| O10 | C35 | C34 | H31 | 119.7° | 120.0° |
| O10 | C35 | C34 | H32 | 119.7° | 120.0° |
| O10 | C35 | C34 | C31 | 176.6° | 180.0° |
| O10 | C35 | C34 | H29 | 55.8° | 60.0° |
| O10 | C35 | C34 | H30 | 62.6° | 60.0° |
| O10 | C35 | H31 | H32 | 120.7° | 120.0° |
| C35 | O10 | C36 | H35 | 180.0° | 60.0° |
| C35 | O10 | C36 | H33 | 60.0° | 180.0° |
| C35 | O10 | C36 | H34 | 60.0° | 60.0° |
| C35 | C34 | C31 | H29 | 120.8° | 120.0° |
| C35 | C34 | C31 | H30 | 120.8° | 120.0° |
| C35 | C34 | C31 | C30 | 119.6° | 90.0° |
| C35 | C34 | C31 | C32 | 67.3° | 89.8° |
| C35 | C34 | H29 | H30 | 117.6° | 120.0° |
| C34 | C35 | H31 | H32 | 120.8° | 120.0° |
| C34 | C31 | C30 | C32 | 173.2° | 179.8° |
| C34 | C31 | C30 | C29 | 171.0° | 180.0° |
| C34 | C31 | C32 | C33 | 170.5° | 179.7° |
| C34 | C31 | C32 | H27 | 9.5° | 0.2° |
| C31 | C34 | H29 | H30 | 117.6° | 120.0° |
| C31 | C34 | C35 | H31 | 63.7° | 60.0° |
| C31 | C34 | C35 | H32 | 56.8° | 60.0° |
| C34 | C31 | C30 | H26 | 9.0° | 0.2° |
| C31 | C30 | C29 | H26 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 2.7° | 0.1° |
| C31 | C30 | C29 | C28 | 0.8° | 0.5° |
| C30 | C31 | C32 | H27 | 177.3° | 180.0° |
| C30 | C31 | C34 | H29 | 1.2° | 150.0° |
| C30 | C31 | C34 | H30 | 119.6° | 29.9° |
| C31 | C30 | C29 | H25 | 179.2° | 179.9° |
| C32 | C31 | C30 | C29 | 2.3° | 0.2° |
| C31 | C32 | C33 | H27 | 180.0° | 179.9° |
| C31 | C32 | C33 | C28 | 0.1° | 0.0° |
| C31 | C32 | C33 | H28 | 179.9° | 180.0° |
| C32 | C31 | C34 | H29 | 171.8° | 30.2° |
| C32 | C31 | C34 | H30 | 53.4° | 150.3° |
| C32 | C31 | C30 | H26 | 177.7° | 180.0° |
| C30 | C29 | C28 | H25 | 180.0° | 179.4° |
| C30 | C29 | C28 | C33 | 3.4° | 0.6° |
| C30 | C29 | C28 | S1 | 171.9° | 179.7° |
| C32 | C33 | C28 | C29 | 3.0° | 0.3° |
| C32 | C33 | C28 | H28 | 180.0° | 180.0° |
| C32 | C33 | C28 | S1 | 172.3° | 180.0° |
| C29 | C28 | C33 | S1 | 175.3° | 179.8° |
| C29 | C28 | S1 | O9 | 24.0° | 23.3° |
| C29 | C28 | S1 | N3 | 92.5° | 90.3° |
| C29 | C28 | S1 | O8 | 149.0° | 156.2° |
| C29 | C28 | C33 | H28 | 177.0° | 179.7° |
| C28 | C29 | C30 | H26 | 179.3° | 179.7° |
| O6 | C27 | O7 | C25 | 179.8° | 179.9° |
| O6 | C27 | C25 | C26 | 10.6° | 180.0° |
| O6 | C27 | C25 | C24 | 169.4° | 0.1° |
| O6 | C27 | O7 | H37 | 0.0° | 0.0° |
| O7 | C27 | C25 | C26 | 169.6° | 0.1° |
| O7 | C27 | C25 | C24 | 10.4° | 180.0° |
| C27 | C25 | C26 | C24 | 180.0° | 179.9° |
| C27 | C25 | C26 | C21 | 179.0° | 180.0° |
| C27 | C25 | C24 | N3 | 5.0° | 0.0° |
| C27 | C25 | C24 | C23 | 178.8° | 179.8° |
| C25 | C27 | O7 | H37 | 179.7° | 179.9° |
| C27 | C25 | C26 | H24 | 1.0° | 0.1° |
| C33 | C28 | S1 | O9 | 151.4° | 156.5° |
| C33 | C28 | S1 | N3 | 92.1° | 90.0° |
| C33 | C28 | S1 | O8 | 26.3° | 23.6° |
| C28 | C33 | C32 | H27 | 179.9° | 180.0° |
| C33 | C28 | C29 | H25 | 176.5° | 180.0° |
| C28 | S1 | O9 | N3 | 113.8° | 114.1° |
| C28 | S1 | O9 | O8 | 119.6° | 122.9° |
| C28 | S1 | N3 | O8 | 115.8° | 113.5° |
| C28 | S1 | N3 | C24 | 47.5° | 60.4° |
| S1 | C28 | C33 | H28 | 7.7° | 0.0° |
| S1 | C28 | C29 | H25 | 8.1° | 0.3° |
| C28 | S1 | N3 | H36 | 74.4° | 119.6° |
| C25 | C26 | C21 | H24 | 180.0° | 179.9° |
| C26 | C25 | C24 | N3 | 175.1° | 180.0° |
| C26 | C25 | C24 | C23 | 1.2° | 0.3° |
| C25 | C26 | C21 | N2 | 177.5° | 180.0° |
| C25 | C26 | C21 | C22 | 0.4° | 0.2° |
| C24 | C25 | C26 | C21 | 1.0° | 0.0° |
| C25 | C24 | N3 | S1 | 111.6° | 144.9° |
| C25 | C24 | N3 | C23 | 176.3° | 179.8° |
| C25 | C24 | C23 | C22 | 0.8° | 0.2° |
| C25 | C24 | N3 | H36 | 10.3° | 35.2° |
| C25 | C24 | C23 | H23 | 179.2° | 179.8° |
| C24 | C25 | C26 | H24 | 179.0° | 179.9° |
| C26 | C21 | N2 | C22 | 177.9° | 179.8° |
| C26 | C21 | N2 | C20 | 148.4° | 148.6° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C22 | H22 | 180.0° | 179.8° |
| C26 | C21 | N2 | H21 | 31.6° | 31.5° |
| O9 | S1 | N3 | O8 | 129.3° | 132.9° |
| O9 | S1 | N3 | C24 | 162.4° | 53.1° |
| O9 | S1 | N3 | H36 | 40.5° | 126.8° |
| S1 | N3 | C24 | H36 | 121.9° | 179.9° |
| S1 | N3 | C24 | C23 | 72.1° | 35.4° |
| O8 | S1 | N3 | C24 | 68.3° | 174.0° |
| O8 | S1 | N3 | H36 | 169.8° | 6.1° |
| N3 | C24 | C23 | C22 | 175.7° | 180.0° |
| N3 | C24 | C23 | H23 | 4.3° | 0.0° |
| C24 | C23 | C22 | C21 | 0.2° | 0.1° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C23 | C24 | N3 | H36 | 166.0° | 144.5° |
| C24 | C23 | C22 | H22 | 179.8° | 180.0° |
| C21 | N2 | C20 | H21 | 180.0° | 180.0° |
| C21 | N2 | C20 | C19 | 176.1° | 174.6° |
| N2 | C21 | C22 | C23 | 177.9° | 179.9° |
| C21 | N2 | C20 | O5 | 3.4° | 5.4° |
| N2 | C21 | C22 | H22 | 2.1° | 0.0° |
| N2 | C21 | C26 | H24 | 2.5° | 0.1° |
| C22 | C21 | N2 | C20 | 33.7° | 31.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | H23 | 179.8° | 180.0° |
| C22 | C21 | C26 | H24 | 179.6° | 179.7° |
| C22 | C21 | N2 | H21 | 146.3° | 148.3° |
| N2 | C20 | C19 | C18 | 104.8° | 180.0° |
| N2 | C20 | C19 | O5 | 179.4° | 180.0° |
| N2 | C20 | C19 | H20 | 15.7° | 60.0° |
| N2 | C20 | C19 | H19 | 134.8° | 59.9° |
| C18 | C19 | C20 | H20 | 120.4° | 120.0° |
| C18 | C19 | C20 | H19 | 120.5° | 120.1° |
| C19 | C18 | C17 | H18 | 120.5° | 119.9° |
| C19 | C18 | C17 | H17 | 120.5° | 120.0° |
| C18 | C19 | C20 | O5 | 75.8° | 0.0° |
| C19 | C18 | C17 | N1 | 118.7° | 180.0° |
| C19 | C18 | C17 | O4 | 62.4° | 0.0° |
| C18 | C19 | H20 | H19 | 118.6° | 120.0° |
| C19 | C18 | H18 | H17 | 118.5° | 120.0° |
| C20 | C19 | C18 | C17 | 73.2° | 180.0° |
| C19 | C20 | N2 | H21 | 3.9° | 5.4° |
| C20 | C19 | H20 | H19 | 118.6° | 120.0° |
| C20 | C19 | C18 | H18 | 166.3° | 60.0° |
| C20 | C19 | C18 | H17 | 47.3° | 60.0° |
| C18 | C17 | N1 | O4 | 178.8° | 180.0° |
| C18 | C17 | N1 | C13 | 169.6° | 174.9° |
| C17 | C18 | C19 | H20 | 166.4° | 60.0° |
| C17 | C18 | C19 | H19 | 47.3° | 59.9° |
| C17 | C18 | H18 | H17 | 118.5° | 120.1° |
| C18 | C17 | N1 | H16 | 10.4° | 5.2° |
| O5 | C20 | N2 | H21 | 176.6° | 174.6° |
| O5 | C20 | C19 | H20 | 163.8° | 120.0° |
| O5 | C20 | C19 | H19 | 44.7° | 120.0° |
| C17 | N1 | C13 | H16 | 180.0° | 179.9° |
| C17 | N1 | C13 | C12 | 142.0° | 145.4° |
| C17 | N1 | C13 | C14 | 42.0° | 34.9° |
| N1 | C17 | C18 | H18 | 120.8° | 60.1° |
| N1 | C17 | C18 | H17 | 1.7° | 60.0° |
| O4 | C17 | N1 | C13 | 9.2° | 5.1° |
| O4 | C17 | C18 | H18 | 58.0° | 120.0° |
| O4 | C17 | C18 | H17 | 177.1° | 120.0° |
| O4 | C17 | N1 | H16 | 170.8° | 174.8° |
| N1 | C13 | C12 | C14 | 176.2° | 179.7° |
| N1 | C13 | C12 | C11 | 174.4° | 180.0° |
| N1 | C13 | C14 | C15 | 174.8° | 180.0° |
| N1 | C13 | C12 | H14 | 5.6° | 0.0° |
| N1 | C13 | C14 | H15 | 5.2° | 0.0° |
| C13 | C12 | C11 | H14 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 1.2° | 0.2° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C12 | C13 | N1 | H16 | 38.1° | 34.7° |
| C13 | C12 | C11 | H13 | 179.2° | 179.9° |
| C12 | C13 | C14 | H15 | 178.8° | 179.7° |
| C14 | C13 | C12 | C11 | 1.8° | 0.3° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| C13 | C14 | C15 | C10 | 0.4° | 0.1° |
| C13 | C14 | C15 | C16 | 179.4° | 180.0° |
| C14 | C13 | N1 | H16 | 138.0° | 145.0° |
| C14 | C13 | C12 | H14 | 178.2° | 179.8° |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | C15 | 0.8° | 0.3° |
| C12 | C11 | C10 | N | 179.9° | 180.0° |
| C14 | C15 | C10 | C11 | 1.4° | 0.4° |
| C14 | C15 | C10 | C16 | 179.8° | 179.9° |
| C14 | C15 | C10 | N | 179.5° | 180.0° |
| C14 | C15 | C16 | O3 | 67.9° | 180.0° |
| C14 | C15 | C16 | O2 | 114.0° | 0.0° |
| C11 | C10 | C15 | N | 179.2° | 179.7° |
| C11 | C10 | C15 | C16 | 178.4° | 179.7° |
| C11 | C10 | N | S | 19.3° | 35.9° |
| C10 | C11 | C12 | H14 | 179.2° | 179.9° |
| C11 | C10 | N | H39 | 141.5° | 144.1° |
| C10 | C15 | C16 | O3 | 111.9° | 0.1° |
| C10 | C15 | C16 | O2 | 66.2° | 180.0° |
| C15 | C10 | N | S | 161.6° | 143.8° |
| C15 | C10 | C11 | H13 | 179.2° | 179.7° |
| C10 | C15 | C14 | H15 | 179.6° | 179.9° |
| C15 | C10 | N | H39 | 39.4° | 36.3° |
| C16 | C15 | C10 | N | 0.8° | 0.0° |
| C15 | C16 | O3 | O2 | 178.0° | 180.0° |
| C16 | C15 | C14 | H15 | 0.6° | 0.0° |
| C15 | C16 | O2 | H38 | 178.0° | 180.0° |
| C10 | N | S | O1 | 58.5° | 54.2° |
| C10 | N | S | C7 | 60.0° | 59.3° |
| C10 | N | S | H39 | 122.2° | 179.9° |
| C10 | N | S | O | 174.7° | 172.9° |
| N | C10 | C11 | H13 | 0.1° | 0.1° |
| C8 | C9 | C4 | H12 | 180.0° | 180.0° |
| C8 | C9 | C4 | C3 | 175.6° | 180.0° |
| C9 | C8 | C7 | H11 | 180.0° | 179.9° |
| C8 | C9 | C4 | C5 | 0.6° | 0.4° |
| C9 | C8 | C7 | S | 177.5° | 180.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.3° |
| C9 | C4 | C3 | C5 | 176.1° | 179.6° |
| C9 | C4 | C3 | C2 | 122.7° | 90.0° |
| C4 | C9 | C8 | C7 | 0.7° | 0.1° |
| C9 | C4 | C5 | C6 | 0.2° | 0.4° |
| C9 | C4 | C5 | H9 | 179.8° | 179.8° |
| C4 | C9 | C8 | H11 | 179.3° | 180.0° |
| C9 | C4 | C3 | H7 | 1.5° | 150.1° |
| C9 | C4 | C3 | H8 | 116.1° | 30.0° |
| C4 | C3 | C2 | H7 | 121.1° | 119.9° |
| C4 | C3 | C2 | H8 | 121.2° | 120.0° |
| C4 | C3 | C2 | C1 | 62.3° | 180.0° |
| C3 | C4 | C5 | C6 | 176.0° | 180.0° |
| C3 | C4 | C5 | H9 | 4.0° | 0.1° |
| C3 | C4 | C9 | H12 | 4.4° | 0.0° |
| C4 | C3 | H7 | H8 | 116.3° | 120.0° |
| C4 | C3 | C2 | H6 | 177.0° | 60.0° |
| C4 | C3 | C2 | H5 | 58.3° | 60.0° |
| C2 | C3 | C4 | C5 | 61.2° | 90.4° |
| C3 | C2 | C1 | H6 | 120.7° | 120.0° |
| C3 | C2 | C1 | H5 | 120.6° | 120.0° |
| C3 | C2 | C1 | C | 156.9° | 180.0° |
| C2 | C3 | H7 | H8 | 116.3° | 120.0° |
| C3 | C2 | H6 | H5 | 118.1° | 120.1° |
| C3 | C2 | C1 | H3 | 82.5° | 60.0° |
| C3 | C2 | C1 | H4 | 36.4° | 60.0° |
| C8 | C7 | S | O1 | 1.2° | 23.3° |
| C8 | C7 | S | C6 | 178.0° | 179.8° |
| C8 | C7 | S | N | 119.4° | 90.2° |
| C8 | C7 | C6 | C5 | 0.2° | 0.3° |
| C8 | C7 | S | O | 126.7° | 156.2° |
| C8 | C7 | C6 | H10 | 179.8° | 179.8° |
| C7 | C8 | C9 | H12 | 179.2° | 179.9° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H9 | 180.0° | 179.9° |
| C4 | C5 | C6 | H10 | 180.0° | 179.9° |
| C5 | C4 | C9 | H12 | 179.4° | 179.6° |
| C5 | C4 | C3 | H7 | 177.7° | 29.6° |
| C5 | C4 | C3 | H8 | 60.0° | 149.6° |
| O1 | S | C7 | N | 120.6° | 113.5° |
| O1 | S | C7 | O | 125.5° | 132.9° |
| O1 | S | C7 | C6 | 176.8° | 156.5° |
| O1 | S | N | O | 126.8° | 132.9° |
| O1 | S | N | H39 | 179.3° | 125.8° |
| O3 | C16 | O2 | H38 | 0.0° | 0.0° |
| C7 | S | N | O | 114.8° | 113.6° |
| S | C7 | C6 | C5 | 177.9° | 180.0° |
| C7 | S | N | H39 | 62.3° | 120.7° |
| S | C7 | C6 | H10 | 2.2° | 0.0° |
| S | C7 | C8 | H11 | 2.5° | 0.1° |
| C6 | C7 | S | N | 62.6° | 90.0° |
| C7 | C6 | C5 | H10 | 180.0° | 180.0° |
| C6 | C7 | S | O | 51.3° | 23.6° |
| C7 | C6 | C5 | H9 | 180.0° | 179.9° |
| C6 | C7 | C8 | H11 | 179.5° | 179.7° |
| C2 | C1 | C | H3 | 120.6° | 120.1° |
| C2 | C1 | C | H4 | 120.5° | 120.0° |
| C1 | C2 | C3 | H7 | 58.8° | 60.0° |
| C1 | C2 | C3 | H8 | 176.5° | 60.0° |
| C1 | C2 | H6 | H5 | 118.0° | 120.0° |
| C2 | C1 | H3 | H4 | 118.3° | 120.0° |
| C2 | C1 | C | H2 | 180.0° | 180.0° |
| C2 | C1 | C | H | 60.0° | 60.0° |
| C2 | C1 | C | H1 | 60.0° | 60.1° |
| O | S | N | H39 | 52.5° | 7.1° |
| C | C1 | C2 | H6 | 36.3° | 59.9° |
| C | C1 | C2 | H5 | 82.4° | 60.0° |
| C | C1 | H3 | H4 | 118.3° | 119.9° |
| C1 | C | H2 | H | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| H28 | C33 | C32 | H27 | 0.1° | 0.0° |
| H29 | C34 | C35 | H31 | 175.5° | 180.0° |
| H29 | C34 | C35 | H32 | 64.0° | 60.0° |
| H30 | C34 | C35 | H31 | 57.1° | 60.0° |
| H30 | C34 | C35 | H32 | 177.6° | 180.0° |
| H35 | C36 | H33 | H34 | 120.0° | 119.9° |
| H26 | C30 | C29 | H25 | 0.8° | 0.3° |
| H23 | C23 | C22 | H22 | 0.2° | 0.0° |
| H20 | C19 | C18 | H18 | 45.9° | 180.0° |
| H20 | C19 | C18 | H17 | 73.1° | 60.0° |
| H19 | C19 | C18 | H18 | 73.2° | 60.0° |
| H19 | C19 | C18 | H17 | 167.7° | 180.0° |
| H14 | C12 | C11 | H13 | 0.8° | 0.0° |
| H10 | C6 | C5 | H9 | 0.0° | 0.0° |
| H11 | C8 | C9 | H12 | 0.7° | 0.0° |
| H7 | C3 | C2 | H6 | 61.8° | 180.0° |
| H7 | C3 | C2 | H5 | 179.4° | 59.9° |
| H8 | C3 | C2 | H6 | 55.9° | 60.0° |
| H8 | C3 | C2 | H5 | 62.9° | 180.0° |
| H6 | C2 | C1 | H3 | 156.8° | 180.0° |
| H6 | C2 | C1 | H4 | 84.3° | 60.0° |
| H5 | C2 | C1 | H3 | 38.1° | 60.0° |
| H5 | C2 | C1 | H4 | 157.0° | 180.0° |
| H3 | C1 | C | H2 | 59.4° | 60.0° |
| H3 | C1 | C | H | 179.4° | 180.0° |
| H3 | C1 | C | H1 | 60.6° | 60.0° |
| H4 | C1 | C | H2 | 59.4° | 60.0° |
| H4 | C1 | C | H | 60.5° | 60.0° |
| H4 | C1 | C | H1 | 179.5° | 180.0° |
| H2 | C | H | H1 | 120.0° | 119.9° |
