A1L33
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C21 | sing | 1.40Å | 1.34Å | |
| F1 | C21 | sing | 1.40Å | 1.31Å | |
| C21 | F3 | sing | 1.40Å | 1.32Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C15 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C12 | doub | 1.35Å | 1.37Å | Aromatic |
| C26 | N3 | sing | 1.37Å | 1.42Å | Aromatic |
| N4 | C18 | sing | 1.39Å | 1.38Å | |
| N4 | C22 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C11 | N2 | sing | 1.46Å | 1.48Å | |
| C15 | N3 | sing | 1.40Å | 1.42Å | |
| C15 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.42Å | Aromatic |
| N3 | C14 | sing | 1.37Å | 1.37Å | Aromatic |
| O2 | C22 | doub | 1.21Å | 1.23Å | |
| C22 | C23 | sing | 1.49Å | 1.51Å | |
| N2 | C10 | sing | 1.35Å | 1.33Å | |
| C13 | C14 | doub | 1.35Å | 1.36Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | N5 | sing | 1.39Å | 1.39Å | |
| C10 | O1 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.48Å | 1.50Å | |
| C23 | N5 | sing | 1.35Å | 1.37Å | |
| C23 | O3 | doub | 1.21Å | 1.22Å | |
| N5 | C24 | sing | 1.46Å | 1.46Å | |
| C27 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| O6 | C29 | doub | 1.21Å | 1.25Å | |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| O7 | C29 | sing | 1.35Å | 1.24Å | |
| C29 | C28 | sing | 1.48Å | 1.51Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C28 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| O4 | C25 | doub | 1.21Å | 1.26Å | |
| C25 | O5 | sing | 1.34Å | 1.25Å | |
| C8 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.48Å | 1.50Å | |
| C31 | C32 | doub | 1.35Å | 1.36Å | |
| C31 | C30 | sing | 1.41Å | 1.42Å | |
| C32 | C33 | sing | 1.46Å | 1.39Å | |
| C5 | C30 | doub | 1.41Å | 1.41Å | |
| C5 | C4 | sing | 1.47Å | 1.40Å | |
| C30 | C35 | sing | 1.46Å | 1.40Å | |
| C3 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C36 | sing | 1.41Å | 1.40Å | Aromatic |
| C33 | N6 | doub | 1.33Å | 1.39Å | |
| C33 | C34 | sing | 1.41Å | 1.40Å | |
| C2 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.36Å | |
| C35 | O11 | sing | 1.35Å | 1.39Å | |
| C34 | S1 | sing | 1.76Å | 1.79Å | |
| C36 | O11 | sing | 1.35Å | 1.39Å | |
| C36 | C37 | doub | 1.39Å | 1.36Å | Aromatic |
| C1 | C37 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.39Å | 1.38Å | |
| C37 | S2 | sing | 1.76Å | 1.77Å | |
| S1 | O10 | doub | 1.42Å | 1.45Å | |
| S1 | O9 | doub | 1.42Å | 1.46Å | |
| S1 | O8 | sing | 1.52Å | 1.45Å | |
| O12 | S2 | doub | 1.42Å | 1.46Å | |
| S2 | O14 | doub | 1.42Å | 1.45Å | |
| S2 | O13 | sing | 1.52Å | 1.46Å | |
| O7 | H23 | sing | 0.97Å | 0.95Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.08Å | 1.08Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| N6 | H21 | sing | 0.97Å | 1.00Å | |
| O5 | H24 | sing | 0.97Å | 0.95Å | |
| O8 | H25 | sing | 0.97Å | 0.95Å | |
| O13 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C21 | F1 | 109.2° | 109.5° |
| F2 | C21 | F3 | 108.6° | 109.5° |
| F2 | C21 | C20 | 110.8° | 109.5° |
| F1 | C21 | F3 | 108.3° | 109.5° |
| F1 | C21 | C20 | 110.9° | 109.4° |
| F3 | C21 | C20 | 108.9° | 109.5° |
| C21 | C20 | C19 | 119.2° | 119.9° |
| C21 | C20 | C15 | 120.1° | 119.9° |
| C20 | C19 | C18 | 118.6° | 120.1° |
| C19 | C20 | C15 | 120.5° | 120.2° |
| C20 | C19 | H13 | 120.7° | 120.0° |
| C19 | C18 | N4 | 121.5° | 119.6° |
| C19 | C18 | C17 | 122.9° | 119.8° |
| C18 | C19 | H13 | 120.7° | 119.9° |
| C20 | C15 | N3 | 126.5° | 119.9° |
| C20 | C15 | C16 | 120.5° | 120.1° |
| C12 | C26 | N3 | 109.5° | 108.2° |
| C26 | C12 | C11 | 127.5° | 126.3° |
| C26 | C12 | C13 | 105.5° | 107.4° |
| C12 | C26 | H17 | 125.3° | 125.9° |
| C26 | N3 | C15 | 117.9° | 125.7° |
| C26 | N3 | C14 | 106.6° | 108.7° |
| N3 | C26 | H17 | 125.3° | 125.9° |
| C18 | N4 | C22 | 128.6° | 120.1° |
| N4 | C18 | C17 | 115.6° | 120.6° |
| C18 | N4 | H14 | 115.7° | 119.9° |
| N4 | C22 | O2 | 123.1° | 120.3° |
| N4 | C22 | C23 | 114.0° | 119.3° |
| C22 | N4 | H14 | 115.7° | 120.0° |
| C18 | C17 | C16 | 115.2° | 119.8° |
| C18 | C17 | N5 | 120.7° | 120.5° |
| C12 | C11 | N2 | 110.7° | 109.5° |
| C11 | C12 | C13 | 127.0° | 126.3° |
| C12 | C11 | H9 | 109.2° | 109.5° |
| C12 | C11 | H8 | 109.2° | 109.5° |
| C11 | N2 | C10 | 123.8° | 120.1° |
| N2 | C11 | H9 | 109.2° | 109.4° |
| N2 | C11 | H8 | 109.2° | 109.4° |
| C11 | N2 | H7 | 118.1° | 120.0° |
| N3 | C15 | C16 | 112.1° | 120.0° |
| C15 | N3 | C14 | 134.3° | 125.7° |
| C15 | C16 | C17 | 122.0° | 120.0° |
| C15 | C16 | H12 | 119.0° | 120.0° |
| C12 | C13 | C14 | 109.1° | 107.5° |
| C12 | C13 | H10 | 125.5° | 126.2° |
| N3 | C14 | C13 | 109.1° | 108.2° |
| N3 | C14 | H11 | 125.4° | 125.9° |
| O2 | C22 | C23 | 122.8° | 120.3° |
| C22 | C23 | N5 | 119.1° | 119.3° |
| C22 | C23 | O3 | 119.8° | 120.3° |
| N2 | C10 | O1 | 122.3° | 120.0° |
| N2 | C10 | C9 | 119.8° | 120.0° |
| C10 | N2 | H7 | 118.1° | 120.0° |
| C14 | C13 | H10 | 125.4° | 126.3° |
| C13 | C14 | H11 | 125.4° | 125.9° |
| C16 | C17 | N5 | 124.0° | 119.6° |
| C17 | C16 | H12 | 119.0° | 120.0° |
| C17 | N5 | C23 | 121.9° | 120.1° |
| C17 | N5 | C24 | 119.8° | 119.9° |
| O1 | C10 | C9 | 117.9° | 120.0° |
| C10 | C9 | C27 | 121.6° | 119.9° |
| C10 | C9 | C8 | 118.5° | 119.9° |
| N5 | C23 | O3 | 121.0° | 120.4° |
| C23 | N5 | C24 | 118.3° | 119.9° |
| N5 | C24 | C25 | 109.6° | 109.5° |
| N5 | C24 | H15 | 109.4° | 109.5° |
| N5 | C24 | H16 | 109.4° | 109.5° |
| C9 | C27 | C28 | 120.1° | 119.8° |
| C27 | C9 | C8 | 119.9° | 120.2° |
| C9 | C27 | H18 | 119.9° | 120.1° |
| C27 | C28 | C29 | 118.1° | 120.1° |
| C27 | C28 | C6 | 119.8° | 119.7° |
| C28 | C27 | H18 | 119.9° | 120.1° |
| O6 | C29 | O7 | 120.2° | 120.1° |
| O6 | C29 | C28 | 119.9° | 119.9° |
| C9 | C8 | C7 | 120.3° | 120.3° |
| C9 | C8 | H6 | 119.8° | 119.8° |
| O7 | C29 | C28 | 119.8° | 120.0° |
| C29 | O7 | H23 | 109.5° | 117.0° |
| C29 | C28 | C6 | 122.1° | 120.2° |
| C24 | C25 | O4 | 121.5° | 120.0° |
| C24 | C25 | O5 | 120.0° | 120.0° |
| C25 | C24 | H15 | 109.5° | 109.4° |
| C25 | C24 | H16 | 109.4° | 109.5° |
| C28 | C6 | C7 | 119.7° | 119.9° |
| C28 | C6 | C5 | 124.9° | 120.1° |
| O4 | C25 | O5 | 118.5° | 120.0° |
| C25 | O5 | H24 | 109.5° | 117.0° |
| C8 | C7 | C6 | 120.2° | 120.1° |
| C7 | C8 | H6 | 119.9° | 119.9° |
| C8 | C7 | H5 | 119.9° | 119.9° |
| C7 | C6 | C5 | 115.4° | 120.1° |
| C6 | C7 | H5 | 119.9° | 119.9° |
| C6 | C5 | C30 | 118.1° | 121.1° |
| C6 | C5 | C4 | 120.9° | 121.1° |
| C32 | C31 | C30 | 121.3° | 119.9° |
| C31 | C32 | C33 | 120.7° | 120.0° |
| C32 | C31 | H19 | 119.4° | 120.0° |
| C31 | C32 | H20 | 119.6° | 120.0° |
| C31 | C30 | C5 | 123.6° | 120.6° |
| C31 | C30 | C35 | 116.7° | 120.4° |
| C30 | C31 | H19 | 119.4° | 120.0° |
| C32 | C33 | N6 | 119.8° | 119.9° |
| C32 | C33 | C34 | 119.3° | 120.2° |
| C33 | C32 | H20 | 119.7° | 120.0° |
| C30 | C5 | C4 | 120.3° | 117.7° |
| C5 | C30 | C35 | 119.7° | 119.0° |
| C5 | C4 | C3 | 124.3° | 120.4° |
| C5 | C4 | C36 | 117.8° | 119.5° |
| C30 | C35 | C34 | 122.4° | 119.5° |
| C30 | C35 | O11 | 120.1° | 120.4° |
| C4 | C3 | C2 | 120.7° | 120.0° |
| C3 | C4 | C36 | 117.8° | 120.1° |
| C4 | C3 | H4 | 119.7° | 120.0° |
| C3 | C2 | C1 | 120.9° | 120.3° |
| C3 | C2 | H3 | 119.6° | 119.9° |
| C2 | C3 | H4 | 119.7° | 120.0° |
| C4 | C36 | O11 | 122.2° | 121.0° |
| C4 | C36 | C37 | 120.9° | 119.2° |
| N6 | C33 | C34 | 120.9° | 119.9° |
| C33 | N6 | H21 | 112.0° | 120.0° |
| C33 | C34 | C35 | 119.6° | 119.9° |
| C33 | C34 | S1 | 120.9° | 120.0° |
| C2 | C1 | C37 | 118.8° | 120.5° |
| C2 | C1 | N1 | 121.9° | 119.8° |
| C1 | C2 | H3 | 119.6° | 119.8° |
| C34 | C35 | O11 | 117.5° | 120.1° |
| C35 | C34 | S1 | 119.5° | 120.0° |
| C35 | O11 | C36 | 119.5° | 122.3° |
| C34 | S1 | O10 | 112.7° | 106.4° |
| C34 | S1 | O9 | 114.0° | 106.4° |
| C34 | S1 | O8 | 111.0° | 107.3° |
| O11 | C36 | C37 | 116.9° | 119.8° |
| C36 | C37 | C1 | 121.0° | 120.0° |
| C36 | C37 | S2 | 116.8° | 120.0° |
| C37 | C1 | N1 | 119.3° | 119.8° |
| C1 | C37 | S2 | 122.2° | 120.0° |
| C1 | N1 | H1 | 109.5° | 120.0° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C37 | S2 | O12 | 115.0° | 106.4° |
| C37 | S2 | O14 | 112.5° | 106.4° |
| C37 | S2 | O13 | 109.8° | 107.2° |
| O10 | S1 | O9 | 107.4° | 123.1° |
| O10 | S1 | O8 | 105.0° | 106.4° |
| O9 | S1 | O8 | 106.1° | 106.4° |
| S1 | O8 | H25 | 109.5° | 114.1° |
| O12 | S2 | O14 | 107.5° | 123.2° |
| O12 | S2 | O13 | 104.3° | 106.4° |
| O14 | S2 | O13 | 107.2° | 106.4° |
| S2 | O13 | H27 | 109.5° | 113.9° |
| H9 | C11 | H8 | 109.4° | 109.4° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H1 | N1 | H2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C21 | F1 | F3 | 118.1° | 120.1° |
| F2 | C21 | F1 | C20 | 122.4° | 120.0° |
| F2 | C21 | F3 | C20 | 120.7° | 120.0° |
| F2 | C21 | C20 | C19 | 6.6° | 125.9° |
| F2 | C21 | C20 | C15 | 169.4° | 53.5° |
| F1 | C21 | F3 | C20 | 120.7° | 120.0° |
| F1 | C21 | C20 | C19 | 114.9° | 114.2° |
| F1 | C21 | C20 | C15 | 69.1° | 66.4° |
| F3 | C21 | C20 | C19 | 125.9° | 5.8° |
| F3 | C21 | C20 | C15 | 50.0° | 173.6° |
| C21 | C20 | C19 | C15 | 176.0° | 179.4° |
| C21 | C20 | C19 | C18 | 179.3° | 180.0° |
| C21 | C20 | C15 | N3 | 10.6° | 0.3° |
| C21 | C20 | C15 | C16 | 179.0° | 180.0° |
| C21 | C20 | C19 | H13 | 0.7° | 0.6° |
| C20 | C19 | C18 | H13 | 180.0° | 179.4° |
| C20 | C19 | C18 | N4 | 179.6° | 179.7° |
| C20 | C19 | C18 | C17 | 1.5° | 0.3° |
| C19 | C20 | C15 | N3 | 173.5° | 179.7° |
| C19 | C20 | C15 | C16 | 5.0° | 0.6° |
| C18 | C19 | C20 | C15 | 3.3° | 0.6° |
| C19 | C18 | N4 | C17 | 179.0° | 180.0° |
| C19 | C18 | N4 | C22 | 177.7° | 180.0° |
| C19 | C18 | C17 | C16 | 1.2° | 0.0° |
| C19 | C18 | C17 | N5 | 179.8° | 180.0° |
| C19 | C18 | N4 | H14 | 2.3° | 0.0° |
| C20 | C15 | N3 | C26 | 70.7° | 56.3° |
| C20 | C15 | N3 | C16 | 169.2° | 179.7° |
| C20 | C15 | N3 | C14 | 123.4° | 124.2° |
| C20 | C15 | C16 | C17 | 4.9° | 0.3° |
| C20 | C15 | C16 | H12 | 175.1° | 179.7° |
| C15 | C20 | C19 | H13 | 176.7° | 180.0° |
| C12 | C26 | N3 | H17 | 180.0° | 179.8° |
| C26 | C12 | C11 | C13 | 178.2° | 179.8° |
| C26 | C12 | C11 | N2 | 84.7° | 90.3° |
| C12 | C26 | N3 | C15 | 174.1° | 180.0° |
| C12 | C26 | N3 | C14 | 4.7° | 0.4° |
| C26 | C12 | C13 | C14 | 0.2° | 0.2° |
| C26 | C12 | C11 | H9 | 155.1° | 29.7° |
| C26 | C12 | C11 | H8 | 35.5° | 149.7° |
| C26 | C12 | C13 | H10 | 179.8° | 179.8° |
| N3 | C26 | C12 | C11 | 178.8° | 179.8° |
| C26 | N3 | C15 | C14 | 165.9° | 179.4° |
| C26 | N3 | C15 | C16 | 98.5° | 123.4° |
| N3 | C26 | C12 | C13 | 2.7° | 0.4° |
| C26 | N3 | C14 | C13 | 4.7° | 0.3° |
| C26 | N3 | C14 | H11 | 175.2° | 179.7° |
| C18 | N4 | C22 | H14 | 180.0° | 180.0° |
| C18 | N4 | C22 | O2 | 177.8° | 180.0° |
| C18 | N4 | C22 | C23 | 4.7° | 0.0° |
| N4 | C18 | C17 | C16 | 179.8° | 180.0° |
| N4 | C18 | C17 | N5 | 0.9° | 0.0° |
| N4 | C18 | C19 | H13 | 0.4° | 0.3° |
| C22 | N4 | C18 | C17 | 3.3° | 0.0° |
| N4 | C22 | O2 | C23 | 177.2° | 180.0° |
| N4 | C22 | C23 | N5 | 3.9° | 0.0° |
| N4 | C22 | C23 | O3 | 179.9° | 180.0° |
| C18 | C17 | C16 | C15 | 2.9° | 0.0° |
| C18 | C17 | C16 | N5 | 178.9° | 180.0° |
| C18 | C17 | N5 | C23 | 0.6° | 0.0° |
| C18 | C17 | N5 | C24 | 180.0° | 179.9° |
| C18 | C17 | C16 | H12 | 177.0° | 180.0° |
| C17 | C18 | C19 | H13 | 178.5° | 179.7° |
| C17 | C18 | N4 | H14 | 176.7° | 180.0° |
| C12 | C11 | N2 | H9 | 120.2° | 120.0° |
| C12 | C11 | N2 | H8 | 120.2° | 120.0° |
| C12 | C11 | N2 | C10 | 93.5° | 180.0° |
| C11 | C12 | C13 | C14 | 178.3° | 180.0° |
| C12 | C11 | H9 | H8 | 119.5° | 120.0° |
| C11 | C12 | C13 | H10 | 1.7° | 0.0° |
| C11 | C12 | C26 | H17 | 1.2° | 0.0° |
| C12 | C11 | N2 | H7 | 86.5° | 0.0° |
| N2 | C11 | C12 | C13 | 93.6° | 90.0° |
| C11 | N2 | C10 | H7 | 180.0° | 180.0° |
| C11 | N2 | C10 | O1 | 7.7° | 0.0° |
| C11 | N2 | C10 | C9 | 170.2° | 180.0° |
| N2 | C11 | H9 | H8 | 119.5° | 119.9° |
| C15 | N3 | C14 | C13 | 171.7° | 179.8° |
| N3 | C15 | C16 | C17 | 174.9° | 180.0° |
| C15 | N3 | C14 | H11 | 8.2° | 0.2° |
| N3 | C15 | C16 | H12 | 5.1° | 0.0° |
| C15 | N3 | C26 | H17 | 5.9° | 0.2° |
| C16 | C15 | N3 | C14 | 67.3° | 56.0° |
| C15 | C16 | C17 | H12 | 180.0° | 180.0° |
| C15 | C16 | C17 | N5 | 178.2° | 180.0° |
| C12 | C13 | C14 | N3 | 3.2° | 0.0° |
| C12 | C13 | C14 | H10 | 180.0° | 180.0° |
| C13 | C12 | C11 | H9 | 26.6° | 150.0° |
| C13 | C12 | C11 | H8 | 146.3° | 30.0° |
| C12 | C13 | C14 | H11 | 176.8° | 180.0° |
| C13 | C12 | C26 | H17 | 177.3° | 179.8° |
| N3 | C14 | C13 | H11 | 180.0° | 180.0° |
| N3 | C14 | C13 | H10 | 176.8° | 180.0° |
| C14 | N3 | C26 | H17 | 175.3° | 179.7° |
| O2 | C22 | C23 | N5 | 178.7° | 180.0° |
| O2 | C22 | C23 | O3 | 2.4° | 0.0° |
| O2 | C22 | N4 | H14 | 2.1° | 0.0° |
| C22 | C23 | N5 | C17 | 2.1° | 0.0° |
| C22 | C23 | N5 | O3 | 176.2° | 180.0° |
| C22 | C23 | N5 | C24 | 178.4° | 179.9° |
| C23 | C22 | N4 | H14 | 175.3° | 180.0° |
| N2 | C10 | O1 | C9 | 177.9° | 180.0° |
| N2 | C10 | C9 | C27 | 31.9° | 179.4° |
| N2 | C10 | C9 | C8 | 147.5° | 0.0° |
| C10 | N2 | C11 | H9 | 26.7° | 60.0° |
| C10 | N2 | C11 | H8 | 146.3° | 60.0° |
| C16 | C17 | N5 | C23 | 179.4° | 180.0° |
| C16 | C17 | N5 | C24 | 1.1° | 0.1° |
| C17 | N5 | C23 | C24 | 179.5° | 179.9° |
| C17 | N5 | C23 | O3 | 178.3° | 180.0° |
| C17 | N5 | C24 | C25 | 82.9° | 90.0° |
| N5 | C17 | C16 | H12 | 1.9° | 0.0° |
| C17 | N5 | C24 | H15 | 37.1° | 30.0° |
| C17 | N5 | C24 | H16 | 157.1° | 150.0° |
| O1 | C10 | C9 | C27 | 150.2° | 0.6° |
| O1 | C10 | C9 | C8 | 30.5° | 180.0° |
| O1 | C10 | N2 | H7 | 172.3° | 180.0° |
| C10 | C9 | C27 | C8 | 179.3° | 179.4° |
| C10 | C9 | C27 | C28 | 179.4° | 179.7° |
| C10 | C9 | C8 | C7 | 179.0° | 180.0° |
| C10 | C9 | C8 | H6 | 1.0° | 0.0° |
| C10 | C9 | C27 | H18 | 0.6° | 0.6° |
| C9 | C10 | N2 | H7 | 9.8° | 0.0° |
| C23 | N5 | C24 | C25 | 96.5° | 90.1° |
| C23 | N5 | C24 | H15 | 143.4° | 150.0° |
| C23 | N5 | C24 | H16 | 23.5° | 30.0° |
| O3 | C23 | N5 | C24 | 2.2° | 0.0° |
| N5 | C24 | C25 | H15 | 120.0° | 120.0° |
| N5 | C24 | C25 | H16 | 120.0° | 120.0° |
| N5 | C24 | C25 | O4 | 8.4° | 0.0° |
| N5 | C24 | C25 | O5 | 170.3° | 180.0° |
| N5 | C24 | H15 | H16 | 119.9° | 120.0° |
| C9 | C27 | C28 | H18 | 180.0° | 179.1° |
| C9 | C27 | C28 | C29 | 179.9° | 179.4° |
| C9 | C27 | C28 | C6 | 0.7° | 0.6° |
| C27 | C9 | C8 | C7 | 0.3° | 0.6° |
| C27 | C9 | C8 | H6 | 179.7° | 179.4° |
| C27 | C28 | C29 | O6 | 78.0° | 180.0° |
| C28 | C27 | C9 | C8 | 0.1° | 0.9° |
| C27 | C28 | C29 | O7 | 100.4° | 0.0° |
| C27 | C28 | C29 | C6 | 179.1° | 180.0° |
| C27 | C28 | C6 | C7 | 0.9° | 0.0° |
| C27 | C28 | C6 | C5 | 178.2° | 179.7° |
| O6 | C29 | O7 | C28 | 178.4° | 179.9° |
| O6 | C29 | C28 | C6 | 101.2° | 0.0° |
| O6 | C29 | O7 | H23 | 0.0° | 0.1° |
| C9 | C8 | C7 | H6 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C9 | C27 | H18 | 179.9° | 180.0° |
| C9 | C8 | C7 | H5 | 179.9° | 180.0° |
| O7 | C29 | C28 | C6 | 80.5° | 180.0° |
| C29 | C28 | C6 | C7 | 180.0° | 180.0° |
| C29 | C28 | C6 | C5 | 2.7° | 0.3° |
| C28 | C29 | O7 | H23 | 178.4° | 180.0° |
| C29 | C28 | C27 | H18 | 0.1° | 0.3° |
| C24 | C25 | O4 | O5 | 178.7° | 179.9° |
| C25 | C24 | H15 | H16 | 119.9° | 120.0° |
| C24 | C25 | O5 | H24 | 178.7° | 180.0° |
| C28 | C6 | C7 | C8 | 0.5° | 0.3° |
| C28 | C6 | C7 | C5 | 177.5° | 179.8° |
| C28 | C6 | C5 | C30 | 84.6° | 74.8° |
| C28 | C6 | C5 | C4 | 104.9° | 105.2° |
| C6 | C28 | C27 | H18 | 179.3° | 179.7° |
| C28 | C6 | C7 | H5 | 179.5° | 179.8° |
| O4 | C25 | C24 | H15 | 128.4° | 120.0° |
| O4 | C25 | C24 | H16 | 111.6° | 120.0° |
| O4 | C25 | O5 | H24 | 0.0° | 0.1° |
| O5 | C25 | C24 | H15 | 50.3° | 60.1° |
| O5 | C25 | C24 | H16 | 69.7° | 59.9° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 178.1° | 180.0° |
| C7 | C6 | C5 | C30 | 92.8° | 105.0° |
| C7 | C6 | C5 | C4 | 77.7° | 75.0° |
| C6 | C7 | C8 | H6 | 179.9° | 180.0° |
| C6 | C5 | C30 | C31 | 13.6° | 0.1° |
| C6 | C5 | C30 | C4 | 170.5° | 180.0° |
| C6 | C5 | C30 | C35 | 163.5° | 180.0° |
| C6 | C5 | C4 | C3 | 12.9° | 0.7° |
| C6 | C5 | C4 | C36 | 162.8° | 180.0° |
| C5 | C6 | C7 | H5 | 2.0° | 0.0° |
| C32 | C31 | C30 | H19 | 180.0° | 179.9° |
| C31 | C32 | C33 | H20 | 180.0° | 179.9° |
| C32 | C31 | C30 | C5 | 178.8° | 180.0° |
| C32 | C31 | C30 | C35 | 1.7° | 0.0° |
| C31 | C32 | C33 | N6 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.4° | 0.0° |
| C30 | C31 | C32 | C33 | 0.9° | 0.0° |
| C31 | C30 | C5 | C35 | 177.0° | 179.9° |
| C31 | C30 | C5 | C4 | 175.9° | 179.9° |
| C31 | C30 | C35 | C34 | 2.1° | 0.0° |
| C31 | C30 | C35 | O11 | 179.4° | 179.9° |
| C30 | C31 | C32 | H20 | 179.2° | 179.9° |
| C32 | C33 | N6 | C34 | 179.6° | 180.0° |
| C32 | C33 | C34 | C35 | 0.8° | 0.0° |
| C32 | C33 | C34 | S1 | 179.3° | 180.0° |
| C33 | C32 | C31 | H19 | 179.1° | 179.9° |
| C32 | C33 | N6 | H21 | 179.6° | 180.0° |
| C30 | C5 | C4 | C3 | 176.9° | 179.3° |
| C30 | C5 | C4 | C36 | 7.5° | 0.0° |
| C5 | C30 | C35 | C34 | 179.4° | 180.0° |
| C5 | C30 | C35 | O11 | 2.1° | 0.0° |
| C5 | C30 | C31 | H19 | 1.2° | 0.1° |
| C4 | C5 | C30 | C35 | 7.0° | 0.0° |
| C5 | C4 | C3 | C36 | 175.6° | 179.3° |
| C5 | C4 | C3 | C2 | 177.4° | 179.8° |
| C5 | C4 | C36 | O11 | 3.3° | 0.0° |
| C5 | C4 | C36 | C37 | 177.8° | 180.0° |
| C5 | C4 | C3 | H4 | 2.6° | 0.3° |
| C30 | C35 | C34 | C33 | 1.7° | 0.0° |
| C30 | C35 | C34 | O11 | 178.5° | 180.0° |
| C30 | C35 | C34 | S1 | 179.8° | 180.0° |
| C30 | C35 | O11 | C36 | 2.1° | 0.0° |
| C35 | C30 | C31 | H19 | 178.3° | 180.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C3 | C4 | C36 | O11 | 179.2° | 179.3° |
| C3 | C4 | C36 | C37 | 1.9° | 0.7° |
| C4 | C3 | C2 | H3 | 178.9° | 179.7° |
| C2 | C3 | C4 | C36 | 1.8° | 0.5° |
| C3 | C2 | C1 | H3 | 180.0° | 179.7° |
| C3 | C2 | C1 | C37 | 0.5° | 0.3° |
| C3 | C2 | C1 | N1 | 179.7° | 179.8° |
| C4 | C36 | O11 | C35 | 1.5° | 0.0° |
| C4 | C36 | O11 | C37 | 178.9° | 180.0° |
| C4 | C36 | C37 | C1 | 1.4° | 0.5° |
| C4 | C36 | C37 | S2 | 179.8° | 179.5° |
| C36 | C4 | C3 | H4 | 178.2° | 179.5° |
| N6 | C33 | C34 | C35 | 179.6° | 180.0° |
| N6 | C33 | C34 | S1 | 1.1° | 0.0° |
| N6 | C33 | C32 | H20 | 0.0° | 0.0° |
| C33 | C34 | C35 | S1 | 178.5° | 180.0° |
| C33 | C34 | C35 | O11 | 179.8° | 180.0° |
| C33 | C34 | S1 | O10 | 10.7° | 176.5° |
| C33 | C34 | S1 | O9 | 133.5° | 43.6° |
| C33 | C34 | S1 | O8 | 106.7° | 70.0° |
| C34 | C33 | C32 | H20 | 179.7° | 180.0° |
| C34 | C33 | N6 | H21 | 0.0° | 0.0° |
| C2 | C1 | C37 | C36 | 0.6° | 0.0° |
| C2 | C1 | C37 | N1 | 179.8° | 180.0° |
| C2 | C1 | C37 | S2 | 179.0° | 180.0° |
| C1 | C2 | C3 | H4 | 178.9° | 180.0° |
| C2 | C1 | N1 | H1 | 180.0° | 19.0° |
| C2 | C1 | N1 | H2 | 60.0° | 161.0° |
| C34 | C35 | O11 | C36 | 176.5° | 180.0° |
| C35 | C34 | S1 | O10 | 170.8° | 3.6° |
| C35 | C34 | S1 | O9 | 48.0° | 136.5° |
| C35 | C34 | S1 | O8 | 71.7° | 110.0° |
| O11 | C35 | C34 | S1 | 1.3° | 0.1° |
| C35 | O11 | C36 | C37 | 177.4° | 180.0° |
| C34 | S1 | O10 | O9 | 126.4° | 122.9° |
| C34 | S1 | O10 | O8 | 120.9° | 114.1° |
| C34 | S1 | O9 | O8 | 122.5° | 114.1° |
| C34 | S1 | O8 | H25 | 122.1° | 180.0° |
| O11 | C36 | C37 | C1 | 179.7° | 179.5° |
| O11 | C36 | C37 | S2 | 1.3° | 0.5° |
| C36 | C37 | C1 | S2 | 178.4° | 180.0° |
| C36 | C37 | C1 | N1 | 179.6° | 180.0° |
| C36 | C37 | S2 | O12 | 44.2° | 94.8° |
| C36 | C37 | S2 | O14 | 167.8° | 38.1° |
| C36 | C37 | S2 | O13 | 73.0° | 151.7° |
| C1 | C37 | S2 | O12 | 137.3° | 85.1° |
| C1 | C37 | S2 | O14 | 13.8° | 141.9° |
| C1 | C37 | S2 | O13 | 105.4° | 28.4° |
| C37 | C1 | C2 | H3 | 179.5° | 180.0° |
| C37 | C1 | N1 | H1 | 0.2° | 161.0° |
| C37 | C1 | N1 | H2 | 119.8° | 19.0° |
| N1 | C1 | C37 | S2 | 1.3° | 0.0° |
| N1 | C1 | C2 | H3 | 0.3° | 0.0° |
| C1 | N1 | H1 | H2 | 120.0° | 180.0° |
| C37 | S2 | O12 | O14 | 126.1° | 123.0° |
| C37 | S2 | O12 | O13 | 120.3° | 114.1° |
| C37 | S2 | O14 | O13 | 120.7° | 114.1° |
| C37 | S2 | O13 | H27 | 123.8° | 180.0° |
| O10 | S1 | O9 | O8 | 111.9° | 122.9° |
| O10 | S1 | O8 | H25 | 0.0° | 66.4° |
| O9 | S1 | O8 | H25 | 113.6° | 66.5° |
| O12 | S2 | O14 | O13 | 111.7° | 122.9° |
| O12 | S2 | O13 | H27 | 0.0° | 66.5° |
| O14 | S2 | O13 | H27 | 113.8° | 66.4° |
| H3 | C2 | C3 | H4 | 1.1° | 0.2° |
| H6 | C8 | C7 | H5 | 0.1° | 0.0° |
| H9 | C11 | N2 | H7 | 153.3° | 120.0° |
| H8 | C11 | N2 | H7 | 33.7° | 120.0° |
| H10 | C13 | C14 | H11 | 3.2° | 0.0° |
| H19 | C31 | C32 | H20 | 0.8° | 0.0° |
