OSR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.53Å | 1.55Å | |
| O3 | C30 | doub | 1.21Å | 1.22Å | |
| C4 | N3 | sing | 1.47Å | 1.48Å | |
| C4 | C5 | sing | 1.50Å | 1.52Å | |
| C30 | N3 | sing | 1.34Å | 1.35Å | |
| C30 | C29 | sing | 1.50Å | 1.51Å | |
| O | C5 | doub | 1.21Å | 1.22Å | |
| N3 | C19 | sing | 1.46Å | 1.48Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C5 | N | sing | 1.33Å | 1.37Å | |
| O2 | C20 | doub | 1.22Å | 1.23Å | |
| C19 | N1 | sing | 1.46Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.56Å | |
| C20 | N2 | sing | 1.35Å | 1.35Å | |
| C20 | N1 | sing | 1.35Å | 1.39Å | |
| C21 | N2 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.51Å | 1.51Å | |
| C28 | N1 | sing | 1.47Å | 1.47Å | |
| N | C18 | sing | 1.46Å | 1.47Å | |
| N | C6 | sing | 1.46Å | 1.47Å | |
| C15 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.41Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| C22 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C7 | doub | 1.40Å | 1.44Å | Aromatic |
| C17 | C12 | sing | 1.42Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C10 | doub | 1.41Å | 1.43Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | BR | sing | 1.89Å | 1.90Å | |
| C10 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C11 | sing | 1.43Å | 1.43Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| C13 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.08Å | 1.08Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C24 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 111.7° | 109.5° |
| C3 | C2 | C4 | 110.8° | 109.4° |
| C2 | C3 | H9 | 109.5° | 109.5° |
| C2 | C3 | H10 | 109.5° | 109.5° |
| C2 | C3 | H11 | 109.5° | 109.5° |
| C3 | C2 | H12 | 107.3° | 109.5° |
| C | C1 | C2 | 114.5° | 109.5° |
| C | C1 | H4 | 108.2° | 109.5° |
| C | C1 | H5 | 108.2° | 109.5° |
| C1 | C | H23 | 109.5° | 109.4° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.5° | 109.5° |
| C1 | C2 | C4 | 112.3° | 109.5° |
| C2 | C1 | H4 | 108.2° | 109.5° |
| C2 | C1 | H5 | 108.2° | 109.4° |
| C1 | C2 | H12 | 107.3° | 109.5° |
| C2 | C4 | N3 | 114.0° | 109.6° |
| C2 | C4 | C5 | 112.9° | 109.5° |
| C2 | C4 | H8 | 105.0° | 109.7° |
| C4 | C2 | H12 | 107.2° | 109.5° |
| O3 | C30 | N3 | 122.7° | 118.5° |
| O3 | C30 | C29 | 119.1° | 118.6° |
| N3 | C4 | C5 | 113.1° | 108.8° |
| C4 | N3 | C30 | 120.1° | 119.3° |
| C4 | N3 | C19 | 113.7° | 117.0° |
| N3 | C4 | H8 | 105.7° | 109.6° |
| C4 | C5 | O | 118.4° | 118.4° |
| C4 | C5 | N | 118.9° | 123.1° |
| C5 | C4 | H8 | 105.2° | 109.6° |
| N3 | C30 | C29 | 118.2° | 122.9° |
| C30 | N3 | C19 | 126.0° | 123.7° |
| C30 | C29 | C28 | 110.6° | 109.0° |
| C30 | C29 | H26 | 109.2° | 109.5° |
| C30 | C29 | H27 | 109.2° | 109.5° |
| O | C5 | N | 122.7° | 118.5° |
| N3 | C19 | N1 | 110.6° | 111.5° |
| N3 | C19 | C18 | 101.4° | 108.4° |
| N3 | C19 | H13 | 109.4° | 109.3° |
| C29 | C28 | N1 | 110.3° | 107.8° |
| C28 | C29 | H26 | 109.2° | 109.6° |
| C28 | C29 | H27 | 109.2° | 109.6° |
| C29 | C28 | H28 | 109.3° | 109.8° |
| C29 | C28 | H29 | 109.3° | 109.8° |
| C5 | N | C18 | 122.6° | 124.5° |
| C5 | N | C6 | 120.1° | 117.7° |
| O2 | C20 | N2 | 120.2° | 120.0° |
| O2 | C20 | N1 | 121.4° | 120.0° |
| N1 | C19 | C18 | 117.2° | 109.5° |
| C19 | N1 | C20 | 116.9° | 120.0° |
| C19 | N1 | C28 | 111.2° | 119.9° |
| N1 | C19 | H13 | 109.6° | 109.3° |
| C19 | C18 | N | 106.6° | 110.6° |
| C18 | C19 | H13 | 108.3° | 108.7° |
| C19 | C18 | H14 | 110.2° | 109.3° |
| C19 | C18 | H15 | 110.2° | 109.2° |
| N2 | C20 | N1 | 118.5° | 120.0° |
| C20 | N2 | C21 | 122.0° | 120.0° |
| C20 | N2 | H2 | 119.0° | 120.0° |
| C20 | N1 | C28 | 124.0° | 120.1° |
| N2 | C21 | C22 | 113.3° | 109.5° |
| C21 | N2 | H2 | 119.0° | 119.9° |
| N2 | C21 | H30 | 108.5° | 109.5° |
| N2 | C21 | H31 | 108.5° | 109.4° |
| C21 | C22 | C27 | 120.7° | 120.0° |
| C21 | C22 | C23 | 120.9° | 120.0° |
| C22 | C21 | H30 | 108.5° | 109.5° |
| C22 | C21 | H31 | 108.5° | 109.5° |
| N1 | C28 | H28 | 109.3° | 109.8° |
| N1 | C28 | H29 | 109.3° | 109.8° |
| C18 | N | C6 | 114.5° | 117.8° |
| N | C18 | H14 | 110.2° | 109.3° |
| N | C18 | H15 | 110.2° | 109.2° |
| N | C6 | C7 | 113.6° | 109.5° |
| N | C6 | H6 | 108.4° | 109.4° |
| N | C6 | H7 | 108.4° | 109.5° |
| C16 | C15 | C14 | 120.7° | 121.0° |
| C15 | C16 | C17 | 121.2° | 119.7° |
| C15 | C16 | H16 | 119.4° | 120.2° |
| C16 | C15 | H17 | 119.7° | 119.5° |
| C15 | C14 | C13 | 120.6° | 121.0° |
| C14 | C15 | H17 | 119.6° | 119.5° |
| C15 | C14 | H18 | 119.7° | 119.5° |
| C16 | C17 | C7 | 123.1° | 121.3° |
| C16 | C17 | C12 | 118.0° | 119.4° |
| C17 | C16 | H16 | 119.4° | 120.1° |
| C6 | C7 | C17 | 121.6° | 120.1° |
| C6 | C7 | C8 | 118.9° | 120.1° |
| C7 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | H7 | 108.5° | 109.4° |
| C14 | C13 | C12 | 121.1° | 119.7° |
| C13 | C14 | H18 | 119.7° | 119.5° |
| C14 | C13 | H19 | 119.4° | 120.2° |
| C27 | C22 | C23 | 118.4° | 120.0° |
| C22 | C27 | C26 | 121.1° | 120.1° |
| C22 | C27 | H32 | 119.5° | 119.9° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C22 | C23 | H35 | 119.4° | 120.0° |
| C27 | C26 | C25 | 119.1° | 120.0° |
| C26 | C27 | H32 | 119.5° | 120.0° |
| C27 | C26 | H33 | 120.4° | 120.0° |
| C7 | C17 | C12 | 118.9° | 119.4° |
| C17 | C7 | C8 | 119.3° | 119.8° |
| C17 | C12 | C13 | 118.4° | 119.4° |
| C17 | C12 | C10 | 118.5° | 119.4° |
| C7 | C8 | C9 | 121.9° | 121.0° |
| C7 | C8 | H1 | 119.1° | 119.4° |
| C23 | C24 | C25 | 119.0° | 120.0° |
| C23 | C24 | H34 | 120.5° | 120.0° |
| C24 | C23 | H35 | 119.4° | 120.0° |
| C13 | C12 | C10 | 123.1° | 121.3° |
| C12 | C13 | H19 | 119.4° | 120.2° |
| C12 | C10 | C9 | 120.8° | 119.5° |
| C12 | C10 | O1 | 114.4° | 120.3° |
| C26 | C25 | C24 | 121.2° | 120.0° |
| C26 | C25 | BR | 119.5° | 120.0° |
| C25 | C26 | H33 | 120.5° | 120.0° |
| C8 | C9 | C10 | 120.4° | 120.9° |
| C9 | C8 | H1 | 119.0° | 119.5° |
| C8 | C9 | H3 | 119.8° | 119.5° |
| C24 | C25 | BR | 119.3° | 120.0° |
| C25 | C24 | H34 | 120.5° | 120.0° |
| C9 | C10 | O1 | 124.8° | 120.2° |
| C10 | C9 | H3 | 119.8° | 119.6° |
| C10 | O1 | C11 | 118.3° | 117.0° |
| O1 | C11 | H20 | 109.5° | 109.5° |
| O1 | C11 | H21 | 109.4° | 109.5° |
| O1 | C11 | H22 | 109.4° | 109.5° |
| H4 | C1 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.4° | 109.5° |
| H9 | C3 | H10 | 109.5° | 109.4° |
| H9 | C3 | H11 | 109.4° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.2° |
| H20 | C11 | H21 | 109.5° | 109.4° |
| H20 | C11 | H22 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C | H24 | 109.4° | 109.5° |
| H23 | C | H25 | 109.5° | 109.4° |
| H24 | C | H25 | 109.5° | 109.6° |
| H26 | C29 | H27 | 109.5° | 109.7° |
| H28 | C28 | H29 | 109.4° | 109.9° |
| H30 | C21 | H31 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | C | 72.9° | 65.0° |
| C3 | C2 | C1 | C4 | 125.2° | 119.9° |
| C3 | C2 | C1 | H12 | 117.3° | 120.0° |
| C3 | C2 | C4 | H12 | 116.8° | 120.0° |
| C3 | C2 | C4 | N3 | 58.7° | 174.9° |
| C3 | C2 | C4 | C5 | 170.6° | 65.9° |
| C3 | C2 | C1 | H4 | 166.3° | 55.0° |
| C3 | C2 | C1 | H5 | 47.8° | 175.0° |
| C3 | C2 | C4 | H8 | 56.4° | 54.5° |
| C2 | C3 | H9 | H10 | 120.0° | 120.0° |
| C2 | C3 | H9 | H11 | 120.0° | 120.1° |
| C2 | C3 | H10 | H11 | 120.0° | 120.1° |
| C | C1 | C2 | H4 | 120.7° | 120.0° |
| C | C1 | C2 | H5 | 120.8° | 120.0° |
| C | C1 | C2 | C4 | 161.9° | 175.1° |
| C | C1 | H4 | H5 | 117.7° | 120.1° |
| C | C1 | C2 | H12 | 44.4° | 55.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 119.9° |
| C1 | C | H24 | H25 | 120.0° | 120.1° |
| C1 | C2 | C4 | H12 | 117.6° | 120.1° |
| C1 | C2 | C4 | N3 | 67.0° | 54.9° |
| C1 | C2 | C4 | C5 | 63.8° | 174.1° |
| C2 | C1 | H4 | H5 | 117.7° | 119.9° |
| C1 | C2 | C4 | H8 | 177.9° | 65.5° |
| C1 | C2 | C3 | H9 | 180.0° | 64.9° |
| C1 | C2 | C3 | H10 | 60.0° | 175.2° |
| C1 | C2 | C3 | H11 | 60.0° | 55.1° |
| C2 | C1 | C | H23 | 180.0° | 60.0° |
| C2 | C1 | C | H24 | 60.0° | 60.0° |
| C2 | C1 | C | H25 | 60.0° | 179.9° |
| C2 | C4 | N3 | C5 | 130.7° | 119.7° |
| C2 | C4 | N3 | H8 | 114.8° | 120.5° |
| C2 | C4 | C5 | H8 | 114.0° | 120.5° |
| C2 | C4 | N3 | C30 | 92.4° | 103.2° |
| C2 | C4 | C5 | O | 52.4° | 73.2° |
| C2 | C4 | N3 | C19 | 92.8° | 76.6° |
| C2 | C4 | C5 | N | 128.2° | 106.9° |
| C4 | C2 | C1 | H4 | 41.2° | 64.9° |
| C4 | C2 | C1 | H5 | 77.3° | 55.0° |
| C4 | C2 | C3 | H9 | 54.0° | 175.2° |
| C4 | C2 | C3 | H10 | 66.0° | 55.2° |
| C4 | C2 | C3 | H11 | 174.0° | 64.8° |
| O3 | C30 | N3 | C4 | 4.9° | 3.5° |
| O3 | C30 | N3 | C29 | 178.8° | 180.0° |
| O3 | C30 | N3 | C19 | 169.2° | 176.7° |
| O3 | C30 | C29 | C28 | 154.1° | 151.4° |
| O3 | C30 | C29 | H26 | 85.7° | 88.7° |
| O3 | C30 | C29 | H27 | 33.9° | 31.6° |
| N3 | C4 | C5 | H8 | 114.8° | 119.8° |
| C4 | N3 | C30 | C19 | 174.0° | 179.8° |
| C4 | N3 | C30 | C29 | 176.3° | 176.5° |
| N3 | C4 | C5 | O | 176.4° | 167.1° |
| N3 | C4 | C5 | N | 3.0° | 12.8° |
| C4 | N3 | C19 | N1 | 165.5° | 177.4° |
| C4 | N3 | C19 | C18 | 69.5° | 61.9° |
| N3 | C4 | C2 | H12 | 175.5° | 65.1° |
| C4 | N3 | C19 | H13 | 44.7° | 56.5° |
| C5 | C4 | N3 | C30 | 136.9° | 137.1° |
| C4 | C5 | O | N | 179.4° | 179.9° |
| C5 | C4 | N3 | C19 | 37.8° | 43.1° |
| C4 | C5 | N | C18 | 6.1° | 4.1° |
| C4 | C5 | N | C6 | 166.4° | 175.8° |
| C5 | C4 | C2 | H12 | 53.8° | 54.1° |
| N3 | C30 | C29 | C28 | 24.8° | 28.6° |
| C30 | N3 | C19 | N1 | 20.1° | 2.4° |
| C30 | N3 | C19 | C18 | 104.9° | 118.3° |
| C30 | N3 | C4 | H8 | 22.3° | 17.2° |
| C30 | N3 | C19 | H13 | 140.9° | 123.4° |
| N3 | C30 | C29 | H26 | 95.4° | 91.3° |
| N3 | C30 | C29 | H27 | 144.9° | 148.4° |
| C29 | C30 | N3 | C19 | 9.6° | 3.3° |
| C30 | C29 | C28 | H26 | 120.2° | 119.8° |
| C30 | C29 | C28 | H27 | 120.2° | 119.8° |
| C30 | C29 | C28 | N1 | 52.2° | 50.9° |
| C30 | C29 | H26 | H27 | 119.5° | 120.2° |
| C30 | C29 | C28 | H28 | 172.4° | 68.7° |
| C30 | C29 | C28 | H29 | 67.9° | 170.4° |
| O | C5 | N | C18 | 173.4° | 175.8° |
| O | C5 | N | C6 | 13.1° | 4.3° |
| O | C5 | C4 | H8 | 61.6° | 47.3° |
| N3 | C19 | N1 | C18 | 115.5° | 120.0° |
| N3 | C19 | N1 | H13 | 120.7° | 120.9° |
| N3 | C19 | C18 | H13 | 115.0° | 118.7° |
| N3 | C19 | N1 | C20 | 103.2° | 149.1° |
| N3 | C19 | N1 | C28 | 47.1° | 31.2° |
| N3 | C19 | C18 | N | 67.0° | 46.9° |
| C19 | N3 | C4 | H8 | 152.4° | 162.9° |
| N3 | C19 | C18 | H14 | 173.4° | 167.2° |
| N3 | C19 | C18 | H15 | 52.5° | 73.4° |
| C29 | C28 | N1 | C19 | 65.7° | 56.7° |
| C29 | C28 | N1 | C20 | 82.0° | 123.6° |
| C29 | C28 | N1 | H28 | 120.1° | 119.6° |
| C29 | C28 | N1 | H29 | 120.1° | 119.5° |
| C28 | C29 | H26 | H27 | 119.5° | 120.3° |
| C29 | C28 | H28 | H29 | 119.6° | 120.8° |
| C5 | N | C18 | C19 | 39.2° | 21.5° |
| C5 | N | C18 | C6 | 161.3° | 179.9° |
| C5 | N | C6 | C7 | 122.7° | 84.7° |
| C5 | N | C6 | H6 | 116.7° | 35.3° |
| C5 | N | C6 | H7 | 2.1° | 155.3° |
| N | C5 | C4 | H8 | 117.9° | 132.7° |
| C5 | N | C18 | H14 | 158.7° | 141.8° |
| C5 | N | C18 | H15 | 80.4° | 98.8° |
| O2 | C20 | N1 | C19 | 10.7° | 5.1° |
| O2 | C20 | N2 | N1 | 179.2° | 179.9° |
| O2 | C20 | N2 | C21 | 1.9° | 5.1° |
| O2 | C20 | N1 | C28 | 156.8° | 174.6° |
| O2 | C20 | N2 | H2 | 178.1° | 174.9° |
| N1 | C19 | C18 | H13 | 124.5° | 119.4° |
| C19 | N1 | C20 | N2 | 170.1° | 174.9° |
| C19 | N1 | C20 | C28 | 146.1° | 179.7° |
| N1 | C19 | C18 | N | 172.5° | 168.7° |
| N1 | C19 | C18 | H14 | 52.9° | 71.0° |
| N1 | C19 | C18 | H15 | 68.0° | 48.5° |
| C19 | N1 | C28 | H28 | 174.1° | 62.9° |
| C19 | N1 | C28 | H29 | 54.4° | 176.2° |
| C18 | C19 | N1 | C20 | 141.3° | 90.9° |
| C18 | C19 | N1 | C28 | 68.4° | 88.8° |
| C19 | C18 | N | H14 | 119.6° | 120.3° |
| C19 | C18 | N | H15 | 119.5° | 120.3° |
| C19 | C18 | N | C6 | 159.5° | 158.4° |
| C19 | C18 | H14 | H15 | 121.3° | 119.5° |
| C20 | N2 | C21 | H2 | 180.0° | 180.0° |
| C20 | N2 | C21 | C22 | 95.4° | 180.0° |
| N2 | C20 | N1 | C28 | 24.0° | 5.4° |
| C20 | N2 | C21 | H30 | 25.2° | 60.0° |
| C20 | N2 | C21 | H31 | 144.0° | 60.0° |
| N1 | C20 | N2 | C21 | 177.3° | 175.0° |
| N1 | C20 | N2 | H2 | 2.7° | 5.0° |
| C20 | N1 | C19 | H13 | 17.4° | 28.1° |
| C20 | N1 | C28 | H28 | 38.1° | 116.9° |
| C20 | N1 | C28 | H29 | 157.8° | 4.1° |
| N2 | C21 | C22 | H30 | 120.6° | 120.0° |
| N2 | C21 | C22 | H31 | 120.6° | 120.0° |
| N2 | C21 | C22 | C27 | 134.2° | 90.0° |
| N2 | C21 | C22 | C23 | 45.4° | 90.3° |
| N2 | C21 | H30 | H31 | 118.2° | 120.0° |
| C21 | C22 | C27 | C23 | 179.6° | 179.7° |
| C21 | C22 | C27 | C26 | 179.7° | 179.9° |
| C21 | C22 | C23 | C24 | 179.8° | 179.7° |
| C22 | C21 | N2 | H2 | 84.6° | 0.0° |
| C22 | C21 | H30 | H31 | 118.2° | 120.0° |
| C21 | C22 | C27 | H32 | 0.2° | 0.0° |
| C21 | C22 | C23 | H35 | 0.2° | 0.0° |
| C28 | N1 | C19 | H13 | 167.7° | 152.1° |
| N1 | C28 | C29 | H26 | 67.9° | 69.0° |
| N1 | C28 | C29 | H27 | 172.4° | 170.7° |
| N1 | C28 | H28 | H29 | 119.6° | 120.9° |
| C18 | N | C6 | C7 | 75.5° | 95.2° |
| C18 | N | C6 | H6 | 45.2° | 144.7° |
| C18 | N | C6 | H7 | 163.9° | 24.8° |
| N | C18 | C19 | H13 | 48.0° | 71.9° |
| N | C18 | H14 | H15 | 121.3° | 119.4° |
| N | C6 | C7 | H6 | 120.6° | 120.0° |
| N | C6 | C7 | H7 | 120.6° | 120.0° |
| N | C6 | C7 | C17 | 81.5° | 86.2° |
| N | C6 | C7 | C8 | 93.9° | 94.0° |
| N | C6 | H6 | H7 | 118.1° | 120.0° |
| C6 | N | C18 | H14 | 40.0° | 38.1° |
| C6 | N | C18 | H15 | 80.9° | 81.3° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 1.0° | 0.0° |
| C15 | C16 | C17 | C7 | 178.3° | 180.0° |
| C15 | C16 | C17 | C12 | 0.2° | 0.0° |
| C16 | C15 | C14 | H18 | 178.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.8° | 0.0° |
| C15 | C14 | C13 | H18 | 180.0° | 179.9° |
| C15 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C15 | C16 | H16 | 179.2° | 180.0° |
| C15 | C14 | C13 | H19 | 179.7° | 180.0° |
| C16 | C17 | C7 | C6 | 9.6° | 0.3° |
| C16 | C17 | C7 | C12 | 178.1° | 180.0° |
| C16 | C17 | C7 | C8 | 175.0° | 180.0° |
| C16 | C17 | C12 | C13 | 0.8° | 0.0° |
| C16 | C17 | C12 | C10 | 177.1° | 179.5° |
| C17 | C16 | C15 | H17 | 179.2° | 180.0° |
| C6 | C7 | C17 | C8 | 175.4° | 179.7° |
| C6 | C7 | C17 | C12 | 172.3° | 179.7° |
| C6 | C7 | C8 | C9 | 173.1° | 180.0° |
| C6 | C7 | C8 | H1 | 6.9° | 0.0° |
| C7 | C6 | H6 | H7 | 118.1° | 120.0° |
| C14 | C13 | C12 | C17 | 0.6° | 0.0° |
| C14 | C13 | C12 | H19 | 180.0° | 180.0° |
| C14 | C13 | C12 | C10 | 177.2° | 179.5° |
| C13 | C14 | C15 | H17 | 179.0° | 180.0° |
| C22 | C27 | C26 | H32 | 180.0° | 179.9° |
| C27 | C22 | C23 | C24 | 0.6° | 0.5° |
| C22 | C27 | C26 | C25 | 0.6° | 0.1° |
| C27 | C22 | C21 | H30 | 105.2° | 30.0° |
| C27 | C22 | C21 | H31 | 13.6° | 150.0° |
| C22 | C27 | C26 | H33 | 179.4° | 180.0° |
| C27 | C22 | C23 | H35 | 179.4° | 179.8° |
| C23 | C22 | C27 | C26 | 0.1° | 0.2° |
| C22 | C23 | C24 | H35 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.4° | 0.5° |
| C23 | C22 | C21 | H30 | 75.2° | 149.7° |
| C23 | C22 | C21 | H31 | 166.0° | 29.7° |
| C23 | C22 | C27 | H32 | 179.9° | 179.7° |
| C22 | C23 | C24 | H34 | 179.6° | 179.7° |
| C27 | C26 | C25 | H33 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.8° | 0.1° |
| C27 | C26 | C25 | BR | 178.1° | 180.0° |
| C7 | C17 | C12 | C13 | 179.1° | 180.0° |
| C7 | C17 | C12 | C10 | 1.1° | 0.5° |
| C17 | C7 | C8 | C9 | 2.4° | 0.3° |
| C17 | C7 | C8 | H1 | 177.6° | 179.7° |
| C17 | C7 | C6 | H6 | 157.9° | 153.8° |
| C17 | C7 | C6 | H7 | 39.1° | 33.8° |
| C7 | C17 | C16 | H16 | 1.7° | 0.0° |
| C12 | C17 | C7 | C8 | 3.1° | 0.0° |
| C17 | C12 | C13 | C10 | 177.8° | 179.5° |
| C17 | C12 | C10 | C9 | 1.6° | 0.8° |
| C17 | C12 | C10 | O1 | 177.3° | 180.0° |
| C12 | C17 | C16 | H16 | 179.8° | 180.0° |
| C17 | C12 | C13 | H19 | 179.4° | 180.0° |
| C7 | C8 | C9 | H1 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.3° | 0.0° |
| C7 | C8 | C9 | H3 | 179.7° | 180.0° |
| C8 | C7 | C6 | H6 | 26.7° | 26.0° |
| C8 | C7 | C6 | H7 | 145.5° | 146.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.2° |
| C23 | C24 | C25 | H34 | 180.0° | 179.8° |
| C23 | C24 | C25 | BR | 178.6° | 179.7° |
| C13 | C12 | C10 | C9 | 176.3° | 179.8° |
| C13 | C12 | C10 | O1 | 4.9° | 0.5° |
| C12 | C13 | C14 | H18 | 179.6° | 180.0° |
| C12 | C10 | C9 | C8 | 2.4° | 0.5° |
| C12 | C10 | C9 | O1 | 178.7° | 179.2° |
| C12 | C10 | O1 | C11 | 156.6° | 180.0° |
| C12 | C10 | C9 | H3 | 177.6° | 179.4° |
| C10 | C12 | C13 | H19 | 2.8° | 0.5° |
| C26 | C25 | C24 | BR | 179.0° | 179.9° |
| C25 | C26 | C27 | H32 | 179.4° | 180.0° |
| C26 | C25 | C24 | H34 | 179.6° | 180.0° |
| C8 | C9 | C10 | H3 | 180.0° | 179.9° |
| C8 | C9 | C10 | O1 | 176.4° | 179.7° |
| C24 | C25 | C26 | H33 | 179.2° | 180.0° |
| C25 | C24 | C23 | H35 | 179.6° | 179.8° |
| BR | C25 | C26 | H33 | 1.9° | 0.1° |
| BR | C25 | C24 | H34 | 1.4° | 0.1° |
| C9 | C10 | O1 | C11 | 22.2° | 0.8° |
| C10 | C9 | C8 | H1 | 179.7° | 180.0° |
| O1 | C10 | C9 | H3 | 3.6° | 0.2° |
| C10 | O1 | C11 | H20 | 180.0° | 60.0° |
| C10 | O1 | C11 | H21 | 60.0° | 59.9° |
| C10 | O1 | C11 | H22 | 60.0° | 180.0° |
| O1 | C11 | H20 | H21 | 120.0° | 120.0° |
| O1 | C11 | H20 | H22 | 120.0° | 120.0° |
| O1 | C11 | H21 | H22 | 120.0° | 120.0° |
| H1 | C8 | C9 | H3 | 0.3° | 0.0° |
| H2 | N2 | C21 | H30 | 154.8° | 120.0° |
| H2 | N2 | C21 | H31 | 36.0° | 120.0° |
| H4 | C1 | C2 | H12 | 76.3° | 175.0° |
| H4 | C1 | C | H23 | 59.2° | 180.0° |
| H4 | C1 | C | H24 | 60.7° | 60.0° |
| H4 | C1 | C | H25 | 179.3° | 60.1° |
| H5 | C1 | C2 | H12 | 165.2° | 65.0° |
| H5 | C1 | C | H23 | 59.3° | 60.0° |
| H5 | C1 | C | H24 | 179.2° | 180.0° |
| H5 | C1 | C | H25 | 60.8° | 59.9° |
| H8 | C4 | C2 | H12 | 60.3° | 174.5° |
| H9 | C3 | H10 | H11 | 120.0° | 119.9° |
| H9 | C3 | C2 | H12 | 62.7° | 55.2° |
| H10 | C3 | C2 | H12 | 177.3° | 64.8° |
| H11 | C3 | C2 | H12 | 57.3° | 175.2° |
| H13 | C19 | C18 | H14 | 71.6° | 48.5° |
| H13 | C19 | C18 | H15 | 167.5° | 167.9° |
| H16 | C16 | C15 | H17 | 0.7° | 0.0° |
| H17 | C15 | C14 | H18 | 1.0° | 0.0° |
| H18 | C14 | C13 | H19 | 0.4° | 0.0° |
| H20 | C11 | H21 | H22 | 120.1° | 120.0° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
| H26 | C29 | C28 | H28 | 52.2° | 171.4° |
| H26 | C29 | C28 | H29 | 171.9° | 50.5° |
| H27 | C29 | C28 | H28 | 67.4° | 51.1° |
| H27 | C29 | C28 | H29 | 52.3° | 69.8° |
| H32 | C27 | C26 | H33 | 0.6° | 0.1° |
| H34 | C24 | C23 | H35 | 0.4° | 0.0° |
