A1IWI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | S | doub | 1.42Å | 1.43Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.50Å | |
| C | N | sing | 1.46Å | 1.46Å | |
| C1 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| S | C20 | sing | 1.76Å | 1.76Å | |
| S | N | sing | 1.66Å | 1.61Å | |
| S | O | doub | 1.42Å | 1.43Å | |
| C20 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.47Å | |
| C6 | C3 | sing | 1.53Å | 1.51Å | |
| O2 | C25 | sing | 1.36Å | 1.36Å | |
| C7 | N2 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.48Å | 1.49Å | |
| C23 | C30 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C24 | C29 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | F1 | sing | 1.35Å | 1.35Å | |
| C29 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | N3 | sing | 1.29Å | 1.34Å | Aromatic |
| N2 | C8 | sing | 1.35Å | 1.34Å | Aromatic |
| N3 | N4 | doub | 1.29Å | 1.31Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| N4 | C9 | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.43Å | |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C10 | C19 | sing | 1.47Å | 1.46Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.50Å | |
| C12 | O1 | doub | 1.22Å | 1.25Å | |
| C11 | N5 | sing | 1.38Å | 1.38Å | Aromatic |
| F | C17 | sing | 1.35Å | 1.37Å | |
| C17 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | N5 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C21 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| O2 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | S | C20 | 107.9° | 106.4° |
| O3 | S | N | 106.5° | 106.4° |
| O3 | S | O | 119.5° | 123.1° |
| C5 | C4 | N1 | 112.4° | 109.5° |
| C4 | C5 | C6 | 105.6° | 109.3° |
| C4 | C5 | H11 | 110.4° | 109.5° |
| C4 | C5 | H12 | 110.4° | 109.5° |
| C5 | C4 | H10 | 108.7° | 109.5° |
| C5 | C4 | H9 | 108.7° | 109.4° |
| C4 | N1 | C1 | 106.8° | 111.0° |
| C4 | N1 | C2 | 110.7° | 111.2° |
| N1 | C4 | H10 | 108.8° | 109.5° |
| N1 | C4 | H9 | 108.7° | 109.5° |
| C5 | C6 | C7 | 112.6° | 109.5° |
| C5 | C6 | C3 | 107.2° | 109.1° |
| C6 | C5 | H11 | 110.4° | 109.5° |
| C6 | C5 | H12 | 110.4° | 109.5° |
| C5 | C6 | H13 | 108.2° | 109.5° |
| C1 | C | N | 110.7° | 109.4° |
| C | C1 | N1 | 114.9° | 109.4° |
| C | C1 | H4 | 108.1° | 109.5° |
| C | C1 | H3 | 108.1° | 109.5° |
| C1 | C | H2 | 109.2° | 109.5° |
| C1 | C | H1 | 109.2° | 109.5° |
| C | N | S | 117.1° | 120.0° |
| C | N | H | 107.5° | 120.0° |
| N | C | H2 | 109.2° | 109.5° |
| N | C | H1 | 109.2° | 109.5° |
| C1 | N1 | C2 | 108.1° | 111.0° |
| N1 | C1 | H4 | 108.1° | 109.5° |
| N1 | C1 | H3 | 108.1° | 109.5° |
| N1 | C2 | C3 | 112.8° | 109.5° |
| N1 | C2 | H5 | 108.6° | 109.5° |
| N1 | C2 | H6 | 108.6° | 109.5° |
| C22 | C21 | C20 | 119.3° | 120.2° |
| C21 | C22 | C23 | 121.2° | 119.8° |
| C22 | C21 | H24 | 120.4° | 119.9° |
| C21 | C22 | H25 | 119.4° | 120.1° |
| C21 | C20 | S | 119.6° | 119.9° |
| C21 | C20 | C31 | 120.7° | 120.2° |
| C20 | C21 | H24 | 120.3° | 119.9° |
| C22 | C23 | C24 | 120.9° | 120.1° |
| C22 | C23 | C30 | 118.2° | 119.7° |
| C23 | C22 | H25 | 119.4° | 120.1° |
| C20 | S | N | 107.5° | 107.2° |
| C20 | S | O | 107.7° | 106.4° |
| S | C20 | C31 | 119.6° | 119.9° |
| N | S | O | 107.1° | 106.4° |
| S | N | H | 107.5° | 120.0° |
| C20 | C31 | C30 | 119.3° | 120.1° |
| C20 | C31 | H31 | 120.4° | 119.9° |
| C7 | C6 | C3 | 111.7° | 109.5° |
| C6 | C7 | N2 | 111.8° | 109.5° |
| C6 | C7 | H15 | 108.9° | 109.5° |
| C6 | C7 | H14 | 108.9° | 109.5° |
| C7 | C6 | H13 | 108.7° | 109.6° |
| C6 | C3 | C2 | 111.7° | 109.3° |
| C3 | C6 | H13 | 108.2° | 109.6° |
| C6 | C3 | H8 | 108.9° | 109.5° |
| C6 | C3 | H7 | 108.9° | 109.5° |
| O2 | C25 | C24 | 119.3° | 120.1° |
| O2 | C25 | C26 | 120.1° | 120.1° |
| C25 | O2 | H26 | 109.5° | 114.1° |
| C7 | N2 | N3 | 119.9° | 125.7° |
| C7 | N2 | C8 | 128.9° | 125.7° |
| N2 | C7 | H15 | 108.9° | 109.4° |
| N2 | C7 | H14 | 108.9° | 109.5° |
| C24 | C23 | C30 | 120.8° | 120.1° |
| C23 | C24 | C25 | 121.7° | 120.2° |
| C23 | C24 | C29 | 121.3° | 120.1° |
| C23 | C30 | C31 | 121.2° | 119.9° |
| C23 | C30 | H30 | 119.4° | 120.0° |
| C24 | C25 | C26 | 120.5° | 119.8° |
| C25 | C24 | C29 | 117.0° | 119.7° |
| C25 | C26 | C27 | 120.1° | 120.1° |
| C25 | C26 | H27 | 119.9° | 119.9° |
| C2 | C3 | H8 | 108.9° | 109.5° |
| C2 | C3 | H7 | 108.9° | 109.5° |
| C3 | C2 | H5 | 108.6° | 109.5° |
| C3 | C2 | H6 | 108.6° | 109.5° |
| C24 | C29 | F1 | 117.3° | 120.1° |
| C24 | C29 | C28 | 123.8° | 119.9° |
| C26 | C27 | C28 | 120.3° | 120.3° |
| C27 | C26 | H27 | 119.9° | 119.9° |
| C26 | C27 | H28 | 119.8° | 119.8° |
| C31 | C30 | H30 | 119.4° | 120.1° |
| C30 | C31 | H31 | 120.4° | 119.9° |
| F1 | C29 | C28 | 118.9° | 120.1° |
| C29 | C28 | C27 | 118.2° | 120.2° |
| C29 | C28 | H29 | 120.9° | 119.9° |
| C28 | C27 | H28 | 119.8° | 119.9° |
| C27 | C28 | H29 | 120.9° | 119.9° |
| N3 | N2 | C8 | 111.2° | 108.6° |
| N2 | N3 | N4 | 106.8° | 110.6° |
| N2 | C8 | C9 | 104.8° | 106.0° |
| N2 | C8 | H16 | 127.6° | 127.0° |
| N3 | N4 | C9 | 109.0° | 108.7° |
| C8 | C9 | N4 | 108.1° | 106.1° |
| C8 | C9 | C10 | 132.4° | 126.9° |
| C9 | C8 | H16 | 127.6° | 127.0° |
| N4 | C9 | C10 | 119.5° | 126.9° |
| C9 | C10 | C19 | 119.8° | 126.8° |
| C9 | C10 | C11 | 133.8° | 126.8° |
| C13 | C12 | C11 | 119.6° | 120.0° |
| C13 | C12 | O1 | 119.9° | 120.0° |
| C12 | C13 | H18 | 109.5° | 109.5° |
| C12 | C13 | H19 | 109.5° | 109.5° |
| C12 | C13 | H17 | 109.4° | 109.5° |
| C19 | C10 | C11 | 106.3° | 106.4° |
| C10 | C19 | C18 | 134.5° | 133.4° |
| C10 | C19 | C14 | 106.7° | 106.6° |
| C10 | C11 | C12 | 133.3° | 125.5° |
| C10 | C11 | N5 | 109.3° | 108.9° |
| C19 | C18 | C17 | 118.1° | 119.7° |
| C18 | C19 | C14 | 118.7° | 120.0° |
| C19 | C18 | H23 | 120.9° | 120.2° |
| C18 | C17 | F | 118.0° | 119.8° |
| C18 | C17 | C16 | 123.7° | 120.3° |
| C17 | C18 | H23 | 120.9° | 120.2° |
| C19 | C14 | N5 | 108.2° | 108.1° |
| C19 | C14 | C15 | 121.6° | 119.3° |
| C11 | C12 | O1 | 120.4° | 120.0° |
| C12 | C11 | N5 | 117.4° | 125.6° |
| C11 | N5 | C14 | 109.5° | 110.0° |
| C11 | N5 | H20 | 125.3° | 125.0° |
| F | C17 | C16 | 118.3° | 119.9° |
| C17 | C16 | C15 | 118.6° | 120.7° |
| C17 | C16 | H22 | 120.7° | 119.6° |
| N5 | C14 | C15 | 130.1° | 132.6° |
| C14 | N5 | H20 | 125.2° | 125.0° |
| C14 | C15 | C16 | 119.1° | 120.1° |
| C14 | C15 | H21 | 120.4° | 120.0° |
| C16 | C15 | H21 | 120.4° | 119.9° |
| C15 | C16 | H22 | 120.7° | 119.7° |
| H15 | C7 | H14 | 109.5° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H10 | C4 | H9 | 109.4° | 109.4° |
| H8 | C3 | H7 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.4° |
| H2 | C | H1 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.4° |
| H18 | C13 | H17 | 109.5° | 109.5° |
| H19 | C13 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | S | N | C | 19.8° | 48.6° |
| O3 | S | C20 | C21 | 29.8° | 23.8° |
| O3 | S | C20 | N | 114.6° | 113.5° |
| O3 | S | C20 | O | 130.3° | 132.9° |
| O3 | S | N | O | 129.0° | 132.9° |
| O3 | S | C20 | C31 | 152.6° | 156.5° |
| O3 | S | N | H | 101.4° | 131.4° |
| C5 | C4 | N1 | H10 | 120.5° | 120.0° |
| C5 | C4 | N1 | H9 | 120.5° | 120.0° |
| C4 | C5 | C6 | H11 | 119.4° | 119.9° |
| C4 | C5 | C6 | H12 | 119.4° | 120.0° |
| C5 | C4 | N1 | C1 | 174.5° | 174.2° |
| C5 | C4 | N1 | C2 | 57.1° | 61.7° |
| C4 | C5 | C6 | C7 | 172.3° | 177.5° |
| C4 | C5 | C6 | C3 | 64.5° | 57.6° |
| C4 | C5 | H11 | H12 | 121.8° | 120.1° |
| C4 | C5 | C6 | H13 | 52.0° | 62.3° |
| C5 | C4 | H10 | H9 | 118.6° | 119.9° |
| N1 | C4 | C5 | C6 | 65.4° | 59.2° |
| C4 | N1 | C1 | C | 137.0° | 65.8° |
| C4 | N1 | C1 | C2 | 119.2° | 124.2° |
| C4 | N1 | C2 | C3 | 48.6° | 61.8° |
| C4 | N1 | C1 | H4 | 16.2° | 174.3° |
| C4 | N1 | C1 | H3 | 102.2° | 54.2° |
| N1 | C4 | C5 | H11 | 53.9° | 179.1° |
| N1 | C4 | C5 | H12 | 175.2° | 60.8° |
| N1 | C4 | H10 | H9 | 118.6° | 120.0° |
| C4 | N1 | C2 | H5 | 71.8° | 58.3° |
| C4 | N1 | C2 | H6 | 169.2° | 178.2° |
| C5 | C6 | C7 | C3 | 120.7° | 119.7° |
| C5 | C6 | C7 | H13 | 119.9° | 120.1° |
| C5 | C6 | C3 | H13 | 116.5° | 119.9° |
| C5 | C6 | C7 | N2 | 155.1° | 175.0° |
| C5 | C6 | C3 | C2 | 59.7° | 57.6° |
| C5 | C6 | C7 | H15 | 34.7° | 55.0° |
| C5 | C6 | C7 | H14 | 84.6° | 65.0° |
| C6 | C5 | H11 | H12 | 121.8° | 120.1° |
| C6 | C5 | C4 | H10 | 55.1° | 179.2° |
| C6 | C5 | C4 | H9 | 174.1° | 60.9° |
| C5 | C6 | C3 | H8 | 60.7° | 62.3° |
| C5 | C6 | C3 | H7 | 180.0° | 177.6° |
| C1 | C | N | H2 | 120.2° | 120.0° |
| C1 | C | N | H1 | 120.2° | 120.0° |
| C | C1 | N1 | H4 | 120.8° | 120.0° |
| C | C1 | N1 | H3 | 120.8° | 120.0° |
| C | C1 | N1 | C2 | 103.8° | 170.0° |
| C1 | C | N | S | 167.3° | 165.0° |
| C | C1 | H4 | H3 | 117.5° | 120.0° |
| C1 | C | N | H | 46.2° | 15.0° |
| C1 | C | H2 | H1 | 119.4° | 120.0° |
| N | C | C1 | N1 | 84.9° | 180.0° |
| C | N | S | C20 | 95.7° | 65.0° |
| C | N | S | H | 121.1° | 180.0° |
| C | N | S | O | 148.7° | 178.6° |
| N | C | C1 | H4 | 154.3° | 60.0° |
| N | C | C1 | H3 | 35.9° | 60.0° |
| N | C | H2 | H1 | 119.5° | 120.0° |
| C1 | N1 | C2 | C3 | 165.3° | 174.2° |
| N1 | C1 | H4 | H3 | 117.5° | 120.0° |
| C1 | N1 | C4 | H10 | 54.0° | 54.1° |
| C1 | N1 | C4 | H9 | 65.1° | 65.8° |
| C1 | N1 | C2 | H5 | 44.8° | 65.8° |
| C1 | N1 | C2 | H6 | 74.2° | 54.1° |
| N1 | C1 | C | H2 | 154.9° | 60.0° |
| N1 | C1 | C | H1 | 35.3° | 60.0° |
| N1 | C2 | C3 | C6 | 51.6° | 59.2° |
| N1 | C2 | C3 | H5 | 120.5° | 120.1° |
| N1 | C2 | C3 | H6 | 120.5° | 120.0° |
| C2 | N1 | C1 | H4 | 135.3° | 50.1° |
| C2 | N1 | C1 | H3 | 17.0° | 70.0° |
| C2 | N1 | C4 | H10 | 63.4° | 178.2° |
| C2 | N1 | C4 | H9 | 177.5° | 58.3° |
| N1 | C2 | C3 | H8 | 68.7° | 60.7° |
| N1 | C2 | C3 | H7 | 171.9° | 179.1° |
| N1 | C2 | H5 | H6 | 118.4° | 120.0° |
| C22 | C21 | C20 | H24 | 180.0° | 180.0° |
| C21 | C22 | C23 | H25 | 180.0° | 180.0° |
| C22 | C21 | C20 | S | 176.6° | 179.7° |
| C22 | C21 | C20 | C31 | 0.9° | 0.0° |
| C21 | C22 | C23 | C24 | 178.1° | 180.0° |
| C21 | C22 | C23 | C30 | 0.7° | 0.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | S | C31 | 177.5° | 179.7° |
| C21 | C20 | S | N | 144.4° | 89.7° |
| C21 | C20 | S | O | 100.5° | 156.7° |
| C21 | C20 | C31 | C30 | 1.1° | 0.0° |
| C20 | C21 | C22 | H25 | 180.0° | 180.0° |
| C21 | C20 | C31 | H31 | 178.9° | 180.0° |
| C22 | C23 | C24 | C30 | 178.8° | 179.9° |
| C22 | C23 | C24 | C25 | 119.3° | 114.7° |
| C22 | C23 | C24 | C29 | 62.0° | 65.0° |
| C22 | C23 | C30 | C31 | 0.5° | 0.0° |
| C23 | C22 | C21 | H24 | 180.0° | 180.0° |
| C22 | C23 | C30 | H30 | 179.5° | 180.0° |
| C20 | S | N | O | 115.5° | 113.5° |
| S | C20 | C31 | C30 | 176.4° | 179.7° |
| C20 | S | N | H | 143.1° | 115.0° |
| S | C20 | C21 | H24 | 3.4° | 0.2° |
| S | C20 | C31 | H31 | 3.6° | 0.2° |
| N | S | C20 | C31 | 38.1° | 90.0° |
| S | N | C | H2 | 72.5° | 45.0° |
| S | N | C | H1 | 47.1° | 75.0° |
| O | S | C20 | C31 | 77.0° | 23.5° |
| O | S | N | H | 27.6° | 1.4° |
| C20 | C31 | C30 | C23 | 0.4° | 0.0° |
| C20 | C31 | C30 | H31 | 180.0° | 179.9° |
| C31 | C20 | C21 | H24 | 179.1° | 180.0° |
| C20 | C31 | C30 | H30 | 179.6° | 180.0° |
| C7 | C6 | C3 | H13 | 119.7° | 120.2° |
| C6 | C7 | N2 | H15 | 120.3° | 120.0° |
| C6 | C7 | N2 | H14 | 120.3° | 120.0° |
| C7 | C6 | C3 | C2 | 176.5° | 177.5° |
| C6 | C7 | N2 | N3 | 111.7° | 55.0° |
| C6 | C7 | N2 | C8 | 69.8° | 125.0° |
| C6 | C7 | H15 | H14 | 118.9° | 120.0° |
| C7 | C6 | C5 | H11 | 68.4° | 62.6° |
| C7 | C6 | C5 | H12 | 52.9° | 57.6° |
| C7 | C6 | C3 | H8 | 63.2° | 57.6° |
| C7 | C6 | C3 | H7 | 56.1° | 62.5° |
| C3 | C6 | C7 | N2 | 34.4° | 65.3° |
| C6 | C3 | C2 | H8 | 120.3° | 119.9° |
| C6 | C3 | C2 | H7 | 120.3° | 119.9° |
| C3 | C6 | C7 | H15 | 86.0° | 174.7° |
| C3 | C6 | C7 | H14 | 154.7° | 54.7° |
| C3 | C6 | C5 | H11 | 54.9° | 177.6° |
| C3 | C6 | C5 | H12 | 176.2° | 62.3° |
| C6 | C3 | H8 | H7 | 119.0° | 120.1° |
| C6 | C3 | C2 | H5 | 68.9° | 60.9° |
| C6 | C3 | C2 | H6 | 172.1° | 179.2° |
| O2 | C25 | C24 | C23 | 1.2° | 0.0° |
| O2 | C25 | C24 | C26 | 179.6° | 180.0° |
| O2 | C25 | C24 | C29 | 179.9° | 179.7° |
| O2 | C25 | C26 | C27 | 180.0° | 180.0° |
| O2 | C25 | C26 | H27 | 0.0° | 0.1° |
| C7 | N2 | N3 | C8 | 178.7° | 180.0° |
| C7 | N2 | N3 | N4 | 177.8° | 179.7° |
| C7 | N2 | C8 | C9 | 177.4° | 180.0° |
| N2 | C7 | H15 | H14 | 118.9° | 120.0° |
| C7 | N2 | C8 | H16 | 2.6° | 0.2° |
| N2 | C7 | C6 | H13 | 85.0° | 54.9° |
| C23 | C24 | C25 | C29 | 178.7° | 179.7° |
| C23 | C24 | C25 | C26 | 178.4° | 180.0° |
| C24 | C23 | C30 | C31 | 178.3° | 180.0° |
| C23 | C24 | C29 | F1 | 1.1° | 0.0° |
| C23 | C24 | C29 | C28 | 178.9° | 179.7° |
| C24 | C23 | C22 | H25 | 1.9° | 0.0° |
| C24 | C23 | C30 | H30 | 1.7° | 0.1° |
| C30 | C23 | C24 | C25 | 61.9° | 65.2° |
| C30 | C23 | C24 | C29 | 116.7° | 115.1° |
| C23 | C30 | C31 | H30 | 180.0° | 179.9° |
| C30 | C23 | C22 | H25 | 179.3° | 179.9° |
| C23 | C30 | C31 | H31 | 179.6° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.1° |
| C25 | C24 | C29 | F1 | 177.6° | 179.7° |
| C25 | C24 | C29 | C28 | 0.2° | 0.6° |
| C24 | C25 | C26 | H27 | 179.6° | 180.0° |
| C24 | C25 | O2 | H26 | 180.0° | 90.0° |
| C26 | C25 | C24 | C29 | 0.3° | 0.2° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.0° | 0.1° |
| C25 | C26 | C27 | H28 | 180.0° | 180.0° |
| C26 | C25 | O2 | H26 | 0.4° | 90.0° |
| C2 | C3 | C6 | H13 | 56.8° | 62.2° |
| C2 | C3 | H8 | H7 | 119.0° | 120.1° |
| C3 | C2 | H5 | H6 | 118.5° | 119.9° |
| C24 | C29 | F1 | C28 | 177.8° | 179.7° |
| C24 | C29 | C28 | C27 | 0.6° | 0.6° |
| C24 | C29 | C28 | H29 | 179.4° | 179.7° |
| C26 | C27 | C28 | C29 | 0.5° | 0.3° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | H29 | 179.5° | 180.0° |
| F1 | C29 | C28 | C27 | 177.1° | 179.7° |
| F1 | C29 | C28 | H29 | 2.9° | 0.1° |
| C29 | C28 | C27 | H29 | 180.0° | 179.7° |
| C29 | C28 | C27 | H28 | 179.5° | 179.7° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| N3 | N2 | C8 | C9 | 1.2° | 0.0° |
| N2 | N3 | N4 | C9 | 0.2° | 0.4° |
| N3 | N2 | C7 | H15 | 8.6° | 65.0° |
| N3 | N2 | C7 | H14 | 128.0° | 175.0° |
| N3 | N2 | C8 | H16 | 178.8° | 179.8° |
| C8 | N2 | N3 | N4 | 0.9° | 0.3° |
| N2 | C8 | C9 | H16 | 180.0° | 179.8° |
| N2 | C8 | C9 | N4 | 1.0° | 0.2° |
| N2 | C8 | C9 | C10 | 179.5° | 179.7° |
| C8 | N2 | C7 | H15 | 169.8° | 115.0° |
| C8 | N2 | C7 | H14 | 50.5° | 5.0° |
| N3 | N4 | C9 | C8 | 0.5° | 0.4° |
| N3 | N4 | C9 | C10 | 179.9° | 179.5° |
| C8 | C9 | N4 | C10 | 179.6° | 179.9° |
| C8 | C9 | C10 | C19 | 157.5° | 47.4° |
| C8 | C9 | C10 | C11 | 21.5° | 132.3° |
| N4 | C9 | C10 | C19 | 22.0° | 132.7° |
| N4 | C9 | C10 | C11 | 159.0° | 47.6° |
| N4 | C9 | C8 | H16 | 179.0° | 180.0° |
| C9 | C10 | C19 | C11 | 179.3° | 179.8° |
| C9 | C10 | C19 | C18 | 0.3° | 0.0° |
| C9 | C10 | C19 | C14 | 178.8° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.0° |
| C9 | C10 | C11 | N5 | 179.1° | 180.0° |
| C10 | C9 | C8 | H16 | 0.5° | 0.1° |
| C13 | C12 | C11 | C10 | 15.9° | 174.6° |
| C13 | C12 | C11 | O1 | 177.6° | 179.9° |
| C13 | C12 | C11 | N5 | 162.9° | 5.3° |
| C12 | C13 | H18 | H19 | 120.0° | 120.0° |
| C12 | C13 | H18 | H17 | 120.0° | 120.0° |
| C12 | C13 | H19 | H17 | 120.0° | 120.0° |
| C10 | C19 | C18 | C14 | 178.4° | 180.0° |
| C10 | C19 | C18 | C17 | 177.3° | 179.6° |
| C19 | C10 | C11 | C12 | 178.9° | 179.8° |
| C19 | C10 | C11 | N5 | 0.1° | 0.3° |
| C10 | C19 | C14 | N5 | 0.7° | 0.1° |
| C10 | C19 | C14 | C15 | 177.8° | 179.8° |
| C10 | C19 | C18 | H23 | 2.8° | 0.1° |
| C11 | C10 | C19 | C18 | 179.0° | 179.7° |
| C11 | C10 | C19 | C14 | 0.5° | 0.3° |
| C10 | C11 | C12 | N5 | 178.8° | 180.0° |
| C10 | C11 | C12 | O1 | 166.6° | 5.4° |
| C10 | C11 | N5 | C14 | 0.4° | 0.2° |
| C10 | C11 | N5 | H20 | 179.6° | 180.0° |
| C19 | C18 | C17 | H23 | 180.0° | 179.6° |
| C19 | C18 | C17 | F | 178.6° | 179.8° |
| C19 | C18 | C17 | C16 | 0.1° | 0.4° |
| C18 | C19 | C14 | N5 | 179.5° | 179.8° |
| C18 | C19 | C14 | C15 | 1.0° | 0.2° |
| C17 | C18 | C19 | C14 | 1.1° | 0.4° |
| C18 | C17 | F | C16 | 178.6° | 179.9° |
| C18 | C17 | C16 | C15 | 1.1° | 0.1° |
| C18 | C17 | C16 | H22 | 178.9° | 179.8° |
| C19 | C14 | N5 | C11 | 0.7° | 0.0° |
| C19 | C14 | N5 | C15 | 178.4° | 180.0° |
| C19 | C14 | C15 | C16 | 0.2° | 0.0° |
| C19 | C14 | C15 | H21 | 179.8° | 180.0° |
| C14 | C19 | C18 | H23 | 178.9° | 180.0° |
| C19 | C14 | N5 | H20 | 179.3° | 179.8° |
| C12 | C11 | N5 | C14 | 178.7° | 179.9° |
| C11 | C12 | C13 | H18 | 177.6° | 0.1° |
| C11 | C12 | C13 | H19 | 62.4° | 120.0° |
| C11 | C12 | C13 | H17 | 57.6° | 120.0° |
| C12 | C11 | N5 | H20 | 1.3° | 0.0° |
| O1 | C12 | C11 | N5 | 14.7° | 174.6° |
| O1 | C12 | C13 | H18 | 0.0° | 180.0° |
| O1 | C12 | C13 | H19 | 120.0° | 60.0° |
| O1 | C12 | C13 | H17 | 120.0° | 60.0° |
| C11 | N5 | C14 | H20 | 180.0° | 179.8° |
| C11 | N5 | C14 | C15 | 177.7° | 180.0° |
| F | C17 | C16 | C15 | 177.4° | 180.0° |
| F | C17 | C16 | H22 | 2.6° | 0.1° |
| F | C17 | C18 | H23 | 1.4° | 0.2° |
| C17 | C16 | C15 | C14 | 1.2° | 0.1° |
| C17 | C16 | C15 | H22 | 180.0° | 179.9° |
| C17 | C16 | C15 | H21 | 178.8° | 180.0° |
| C16 | C17 | C18 | H23 | 179.9° | 179.9° |
| N5 | C14 | C15 | C16 | 177.9° | 179.9° |
| N5 | C14 | C15 | H21 | 2.1° | 0.1° |
| C14 | C15 | C16 | H21 | 180.0° | 180.0° |
| C14 | C15 | C16 | H22 | 178.8° | 180.0° |
| C15 | C14 | N5 | H20 | 2.3° | 0.2° |
| H15 | C7 | C6 | H13 | 154.7° | 65.1° |
| H14 | C7 | C6 | H13 | 35.3° | 174.9° |
| H4 | C1 | C | H2 | 34.1° | 179.9° |
| H4 | C1 | C | H1 | 85.5° | 59.9° |
| H3 | C1 | C | H2 | 84.3° | 60.0° |
| H3 | C1 | C | H1 | 156.1° | 180.0° |
| H11 | C5 | C6 | H13 | 171.4° | 57.6° |
| H11 | C5 | C4 | H10 | 174.4° | 60.8° |
| H11 | C5 | C4 | H9 | 66.5° | 59.1° |
| H12 | C5 | C6 | H13 | 67.3° | 177.7° |
| H12 | C5 | C4 | H10 | 64.3° | 59.2° |
| H12 | C5 | C4 | H9 | 54.7° | 179.2° |
| H13 | C6 | C3 | H8 | 177.1° | 177.8° |
| H13 | C6 | C3 | H7 | 63.5° | 57.7° |
| H8 | C3 | C2 | H5 | 170.8° | 179.2° |
| H8 | C3 | C2 | H6 | 51.7° | 59.3° |
| H7 | C3 | C2 | H5 | 51.4° | 59.1° |
| H7 | C3 | C2 | H6 | 67.6° | 60.8° |
| H | N | C | H2 | 166.4° | 135.0° |
| H | N | C | H1 | 74.0° | 105.0° |
| H18 | C13 | H19 | H17 | 120.0° | 119.9° |
| H21 | C15 | C16 | H22 | 1.2° | 0.0° |
| H24 | C21 | C22 | H25 | 0.0° | 0.1° |
| H27 | C26 | C27 | H28 | 0.0° | 0.1° |
| H28 | C27 | C28 | H29 | 0.5° | 0.0° |
| H30 | C30 | C31 | H31 | 0.4° | 0.0° |
