89R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C27 | doub | 1.25Å | 1.25Å | |
| C27 | O2 | sing | 1.25Å | 1.25Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C9 | C5 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.55Å | |
| C25 | C22 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.37Å | 1.37Å | |
| C5 | C4 | sing | 1.38Å | 1.45Å | |
| C8 | C6 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.38Å | 1.46Å | |
| C22 | C21 | doub | 1.37Å | 1.37Å | |
| C | C4 | doub | 1.41Å | 1.39Å | |
| C | C23 | sing | 1.41Å | 1.39Å | |
| C6 | C7 | sing | 1.38Å | 1.45Å | |
| C4 | N | sing | 1.36Å | 1.37Å | |
| C24 | C21 | sing | 1.51Å | 1.50Å | |
| C23 | N3 | doub | 1.36Å | 1.38Å | |
| C21 | C20 | sing | 1.38Å | 1.45Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C7 | N | sing | 1.36Å | 1.38Å | |
| C7 | C1 | doub | 1.41Å | 1.38Å | |
| N | FE | sing | 2.10Å | 2.03Å | |
| N3 | C20 | sing | 1.36Å | 1.37Å | |
| N3 | FE | sing | 2.10Å | 2.02Å | |
| C20 | C3 | doub | 1.41Å | 1.39Å | |
| C1 | C12 | sing | 1.41Å | 1.39Å | |
| C3 | C19 | sing | 1.41Å | 1.39Å | |
| FE | N1 | sing | 2.11Å | 2.04Å | |
| FE | N2 | sing | 2.10Å | 2.02Å | |
| C12 | N1 | doub | 1.35Å | 1.38Å | |
| C12 | C13 | sing | 1.39Å | 1.44Å | |
| O | C11 | doub | 1.25Å | 1.25Å | |
| C11 | O1 | sing | 1.25Å | 1.26Å | |
| C30 | C13 | sing | 1.51Å | 1.51Å | |
| C30 | C31 | sing | 1.52Å | 1.51Å | |
| N1 | C15 | sing | 1.36Å | 1.37Å | |
| C19 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.45Å | Aromatic |
| N2 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.37Å | 1.38Å | |
| F2 | C33 | sing | 1.33Å | 1.34Å | |
| C29 | C28 | sing | 1.52Å | 1.52Å | |
| C18 | C32 | sing | 1.51Å | 1.50Å | |
| C18 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.44Å | |
| C15 | C2 | doub | 1.41Å | 1.47Å | |
| C14 | C33 | sing | 1.51Å | 1.49Å | |
| C16 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | C2 | sing | 1.41Å | 1.38Å | |
| C17 | C28 | sing | 1.51Å | 1.51Å | |
| C33 | F | sing | 1.33Å | 1.35Å | |
| C33 | F1 | sing | 1.33Å | 1.35Å | |
| C1 | H1 | sing | 0.95Å | 1.08Å | |
| C2 | H2 | sing | 0.95Å | 1.08Å | |
| C10 | H3 | sing | 0.98Å | 1.10Å | |
| C10 | H4 | sing | 0.98Å | 1.10Å | |
| C3 | H5 | sing | 0.95Å | 1.08Å | |
| C8 | H6 | sing | 0.97Å | 1.10Å | |
| C8 | H7 | sing | 0.97Å | 1.10Å | |
| C8 | H8 | sing | 0.97Å | 1.10Å | |
| C9 | H9 | sing | 0.98Å | 1.10Å | |
| C9 | H10 | sing | 0.98Å | 1.10Å | |
| O2 | H11 | sing | 7.94Å | 0.95Å | |
| O1 | H12 | sing | 4.68Å | 0.95Å | |
| C | H13 | sing | 0.95Å | 1.08Å | |
| C24 | H14 | sing | 0.97Å | 1.10Å | |
| C24 | H15 | sing | 0.97Å | 1.10Å | |
| C24 | H16 | sing | 0.97Å | 1.10Å | |
| C25 | H17 | sing | 0.98Å | 1.10Å | |
| C25 | H18 | sing | 0.98Å | 1.10Å | |
| C26 | H19 | sing | 0.99Å | 1.10Å | |
| C26 | H20 | sing | 0.99Å | 1.10Å | |
| C28 | H21 | sing | 0.98Å | 1.10Å | |
| C28 | H22 | sing | 0.98Å | 1.10Å | |
| C29 | H23 | sing | 0.98Å | 1.10Å | |
| C29 | H24 | sing | 0.97Å | 1.10Å | |
| C29 | H25 | sing | 0.98Å | 1.10Å | |
| C30 | H26 | sing | 0.98Å | 1.10Å | |
| C30 | H27 | sing | 0.98Å | 1.10Å | |
| C31 | H28 | sing | 0.98Å | 1.10Å | |
| C31 | H29 | sing | 0.97Å | 1.10Å | |
| C31 | H30 | sing | 0.98Å | 1.10Å | |
| C32 | H31 | sing | 0.97Å | 1.10Å | |
| C32 | H32 | sing | 0.97Å | 1.10Å | |
| C32 | H33 | sing | 0.97Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C27 | O2 | 122.4° | 124.1° |
| O3 | C27 | C26 | 117.9° | 118.0° |
| O2 | C27 | C26 | 119.7° | 117.9° |
| C27 | O2 | H11 | 109.5° | 132.8° |
| C27 | C26 | C25 | 112.0° | 114.6° |
| C27 | C26 | H19 | 108.8° | 108.5° |
| C27 | C26 | H20 | 108.8° | 108.5° |
| C26 | C25 | C22 | 109.3° | 114.1° |
| C26 | C25 | H17 | 109.5° | 108.6° |
| C26 | C25 | H18 | 109.5° | 108.5° |
| C25 | C26 | H19 | 108.8° | 108.8° |
| C25 | C26 | H20 | 108.8° | 108.8° |
| C5 | C9 | C10 | 108.6° | 114.3° |
| C9 | C5 | C6 | 127.0° | 126.4° |
| C9 | C5 | C4 | 126.1° | 126.4° |
| C5 | C9 | H9 | 109.7° | 109.9° |
| C5 | C9 | H10 | 109.7° | 109.2° |
| C9 | C10 | C11 | 116.3° | 114.5° |
| C9 | C10 | H3 | 107.8° | 108.7° |
| C9 | C10 | H4 | 107.7° | 108.7° |
| C10 | C9 | H9 | 109.7° | 108.7° |
| C10 | C9 | H10 | 109.7° | 108.5° |
| C25 | C22 | C23 | 127.7° | 126.3° |
| C25 | C22 | C21 | 125.7° | 126.5° |
| C22 | C25 | H17 | 109.5° | 109.8° |
| C22 | C25 | H18 | 109.5° | 109.4° |
| C6 | C5 | C4 | 107.0° | 107.2° |
| C5 | C6 | C8 | 128.3° | 125.0° |
| C5 | C6 | C7 | 106.0° | 107.5° |
| C5 | C4 | C | 125.1° | 127.6° |
| C5 | C4 | N | 110.5° | 108.9° |
| C8 | C6 | C7 | 125.7° | 127.5° |
| C6 | C8 | H6 | 109.5° | 110.5° |
| C6 | C8 | H7 | 109.5° | 109.9° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C23 | C22 | C21 | 106.6° | 107.3° |
| C22 | C23 | C | 125.5° | 127.7° |
| C22 | C23 | N3 | 109.4° | 108.9° |
| C22 | C21 | C24 | 127.6° | 125.6° |
| C22 | C21 | C20 | 106.8° | 107.4° |
| C4 | C | C23 | 125.9° | 130.9° |
| C | C4 | N | 124.4° | 123.5° |
| C4 | C | H13 | 117.0° | 114.6° |
| C | C23 | N3 | 125.0° | 123.4° |
| C23 | C | H13 | 117.1° | 114.5° |
| C6 | C7 | N | 110.8° | 108.9° |
| C6 | C7 | C1 | 123.3° | 128.3° |
| C4 | N | C7 | 105.8° | 107.5° |
| C4 | N | FE | 127.2° | 125.9° |
| C24 | C21 | C20 | 125.6° | 127.0° |
| C21 | C24 | H14 | 109.5° | 110.1° |
| C21 | C24 | H15 | 109.5° | 110.1° |
| C21 | C24 | H16 | 109.5° | 109.6° |
| C23 | N3 | C20 | 107.2° | 107.4° |
| C23 | N3 | FE | 126.6° | 126.0° |
| C21 | C20 | N3 | 109.9° | 109.1° |
| C21 | C20 | C3 | 124.8° | 127.9° |
| C10 | C11 | O | 120.2° | 118.0° |
| C10 | C11 | O1 | 119.8° | 117.9° |
| C11 | C10 | H3 | 107.8° | 108.6° |
| C11 | C10 | H4 | 107.8° | 108.6° |
| N | C7 | C1 | 125.9° | 122.8° |
| C7 | N | FE | 127.0° | 126.6° |
| C7 | C1 | C12 | 125.4° | 131.4° |
| C7 | C1 | H1 | 117.3° | 114.3° |
| N | FE | N3 | 89.8° | 90.2° |
| N | FE | N1 | 89.1° | 89.8° |
| N | FE | N2 | 176.3° | 177.1° |
| C20 | N3 | FE | 126.2° | 126.6° |
| N3 | C20 | C3 | 125.2° | 123.0° |
| N3 | FE | N1 | 175.8° | 177.1° |
| N3 | FE | N2 | 90.3° | 89.6° |
| C20 | C3 | C19 | 126.3° | 131.1° |
| C20 | C3 | H5 | 116.8° | 114.3° |
| C1 | C12 | N1 | 125.3° | 123.0° |
| C1 | C12 | C13 | 122.8° | 128.1° |
| C12 | C1 | H1 | 117.3° | 114.3° |
| C3 | C19 | N2 | 124.6° | 122.8° |
| C3 | C19 | C18 | 124.8° | 128.3° |
| C19 | C3 | H5 | 116.8° | 114.5° |
| N1 | FE | N2 | 90.5° | 90.3° |
| FE | N1 | C12 | 127.1° | 126.4° |
| FE | N1 | C15 | 127.1° | 126.1° |
| FE | N2 | C19 | 127.1° | 126.7° |
| FE | N2 | C16 | 127.0° | 125.8° |
| N1 | C12 | C13 | 111.9° | 108.9° |
| C12 | N1 | C15 | 105.8° | 107.5° |
| C12 | C13 | C30 | 125.4° | 125.8° |
| C12 | C13 | C14 | 104.6° | 107.2° |
| O | C11 | O1 | 120.0° | 124.1° |
| C11 | O1 | H12 | 109.5° | 37.1° |
| C13 | C30 | C31 | 115.6° | 112.7° |
| C30 | C13 | C14 | 129.9° | 126.9° |
| C13 | C30 | H26 | 107.9° | 109.7° |
| C13 | C30 | H27 | 107.9° | 109.5° |
| C31 | C30 | H26 | 107.9° | 108.9° |
| C31 | C30 | H27 | 107.9° | 109.0° |
| C30 | C31 | H28 | 109.5° | 109.6° |
| C30 | C31 | H29 | 109.4° | 109.5° |
| C30 | C31 | H30 | 109.5° | 109.5° |
| N1 | C15 | C14 | 109.8° | 109.5° |
| N1 | C15 | C2 | 123.5° | 122.9° |
| N2 | C19 | C18 | 110.6° | 108.9° |
| C19 | N2 | C16 | 105.7° | 107.5° |
| C19 | C18 | C32 | 126.7° | 127.3° |
| C19 | C18 | C17 | 106.6° | 107.5° |
| N2 | C16 | C17 | 111.0° | 109.0° |
| N2 | C16 | C2 | 126.1° | 123.5° |
| C13 | C14 | C15 | 107.9° | 106.9° |
| C13 | C14 | C33 | 125.3° | 128.6° |
| F2 | C33 | C14 | 107.1° | 111.9° |
| F2 | C33 | F | 106.3° | 103.3° |
| F2 | C33 | F1 | 108.5° | 105.4° |
| C29 | C28 | C17 | 109.1° | 112.7° |
| C29 | C28 | H21 | 109.5° | 109.0° |
| C29 | C28 | H22 | 109.5° | 108.8° |
| C28 | C29 | H23 | 109.5° | 109.5° |
| C28 | C29 | H24 | 109.5° | 109.6° |
| C28 | C29 | H25 | 109.5° | 109.5° |
| C32 | C18 | C17 | 126.8° | 125.2° |
| C18 | C32 | H31 | 109.5° | 109.9° |
| C18 | C32 | H32 | 109.5° | 110.5° |
| C18 | C32 | H33 | 109.5° | 109.5° |
| C18 | C17 | C16 | 106.1° | 107.1° |
| C18 | C17 | C28 | 127.8° | 126.5° |
| C14 | C15 | C2 | 126.7° | 127.6° |
| C15 | C14 | C33 | 126.7° | 124.5° |
| C15 | C2 | C16 | 124.7° | 131.3° |
| C15 | C2 | H2 | 117.6° | 114.2° |
| C14 | C33 | F | 110.5° | 120.5° |
| C14 | C33 | F1 | 112.8° | 111.9° |
| C17 | C16 | C2 | 123.0° | 127.5° |
| C16 | C17 | C28 | 126.1° | 126.4° |
| C16 | C2 | H2 | 117.7° | 114.5° |
| C17 | C28 | H21 | 109.6° | 109.9° |
| C17 | C28 | H22 | 109.6° | 109.2° |
| F | C33 | F1 | 111.2° | 102.4° |
| H3 | C10 | H4 | 109.4° | 107.5° |
| H6 | C8 | H7 | 109.5° | 108.4° |
| H6 | C8 | H8 | 109.5° | 109.2° |
| H7 | C8 | H8 | 109.4° | 109.3° |
| H9 | C9 | H10 | 109.5° | 105.9° |
| H14 | C24 | H15 | 109.5° | 108.5° |
| H14 | C24 | H16 | 109.5° | 109.2° |
| H15 | C24 | H16 | 109.5° | 109.3° |
| H17 | C25 | H18 | 109.5° | 106.1° |
| H19 | C26 | H20 | 109.5° | 107.5° |
| H21 | C28 | H22 | 109.5° | 107.2° |
| H23 | C29 | H24 | 109.5° | 109.4° |
| H23 | C29 | H25 | 109.5° | 109.4° |
| H24 | C29 | H25 | 109.4° | 109.4° |
| H26 | C30 | H27 | 109.5° | 107.0° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H28 | C31 | H30 | 109.5° | 109.4° |
| H29 | C31 | H30 | 109.5° | 109.4° |
| H31 | C32 | H32 | 109.5° | 108.6° |
| H31 | C32 | H33 | 109.5° | 109.2° |
| H32 | C32 | H33 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C27 | O2 | C26 | 179.7° | 180.0° |
| O3 | C27 | C26 | C25 | 128.8° | 86.1° |
| O3 | C27 | O2 | H11 | 0.0° | 153.9° |
| O3 | C27 | C26 | H19 | 110.8° | 152.2° |
| O3 | C27 | C26 | H20 | 8.5° | 35.7° |
| O2 | C27 | C26 | C25 | 51.4° | 93.9° |
| O2 | C27 | C26 | H19 | 68.9° | 27.8° |
| O2 | C27 | C26 | H20 | 171.8° | 144.3° |
| C27 | C26 | C25 | H19 | 120.4° | 121.6° |
| C27 | C26 | C25 | H20 | 120.4° | 121.6° |
| C27 | C26 | C25 | C22 | 169.0° | 174.7° |
| C26 | C27 | O2 | H11 | 179.7° | 26.1° |
| C27 | C26 | C25 | H17 | 49.0° | 62.6° |
| C27 | C26 | C25 | H18 | 71.1° | 52.4° |
| C27 | C26 | H19 | H20 | 118.9° | 117.1° |
| C26 | C25 | C22 | H17 | 120.0° | 122.2° |
| C26 | C25 | C22 | H18 | 119.9° | 121.8° |
| C26 | C25 | C22 | C23 | 98.3° | 88.1° |
| C26 | C25 | C22 | C21 | 80.6° | 91.6° |
| C26 | C25 | H17 | H18 | 120.1° | 116.5° |
| C25 | C26 | H19 | H20 | 118.8° | 117.6° |
| C5 | C9 | C10 | H9 | 119.9° | 123.1° |
| C5 | C9 | C10 | H10 | 119.9° | 122.1° |
| C9 | C5 | C6 | C4 | 179.1° | 179.6° |
| C9 | C5 | C6 | C8 | 1.4° | 0.1° |
| C9 | C5 | C4 | C | 2.1° | 0.1° |
| C9 | C5 | C6 | C7 | 178.7° | 179.5° |
| C9 | C5 | C4 | N | 178.6° | 179.7° |
| C5 | C9 | C10 | C11 | 59.4° | 173.6° |
| C5 | C9 | C10 | H3 | 61.6° | 51.9° |
| C5 | C9 | C10 | H4 | 179.6° | 64.8° |
| C5 | C9 | H9 | H10 | 120.4° | 117.9° |
| C10 | C9 | C5 | C6 | 75.8° | 91.6° |
| C10 | C9 | C5 | C4 | 103.1° | 88.0° |
| C9 | C10 | C11 | H3 | 121.0° | 121.7° |
| C9 | C10 | C11 | H4 | 121.0° | 121.7° |
| C9 | C10 | C11 | O | 64.1° | 84.0° |
| C9 | C10 | C11 | O1 | 117.8° | 96.0° |
| C9 | C10 | H3 | H4 | 116.9° | 117.5° |
| C10 | C9 | H9 | H10 | 120.4° | 116.4° |
| C25 | C22 | C23 | C21 | 179.1° | 179.8° |
| C25 | C22 | C23 | C | 2.5° | 0.2° |
| C25 | C22 | C21 | C24 | 0.9° | 0.3° |
| C25 | C22 | C23 | N3 | 178.9° | 179.9° |
| C25 | C22 | C21 | C20 | 178.9° | 179.9° |
| C22 | C25 | H17 | H18 | 120.1° | 118.1° |
| C22 | C25 | C26 | H19 | 70.7° | 53.0° |
| C22 | C25 | C26 | H20 | 48.6° | 63.7° |
| C5 | C6 | C8 | C7 | 179.8° | 179.5° |
| C6 | C5 | C4 | C | 178.8° | 179.7° |
| C6 | C5 | C4 | N | 0.5° | 0.1° |
| C5 | C6 | C7 | N | 0.1° | 0.2° |
| C5 | C6 | C7 | C1 | 179.6° | 179.9° |
| C5 | C6 | C8 | H6 | 180.0° | 165.9° |
| C5 | C6 | C8 | H7 | 60.0° | 46.3° |
| C5 | C6 | C8 | H8 | 60.0° | 73.8° |
| C6 | C5 | C9 | H9 | 44.1° | 30.9° |
| C6 | C5 | C9 | H10 | 164.4° | 146.7° |
| C4 | C5 | C6 | C8 | 179.5° | 179.7° |
| C5 | C4 | C | N | 179.2° | 179.8° |
| C5 | C4 | C | C23 | 172.0° | 178.5° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C5 | C4 | N | C7 | 0.4° | 0.2° |
| C5 | C4 | N | FE | 177.2° | 177.9° |
| C4 | C5 | C9 | H9 | 137.0° | 149.5° |
| C4 | C5 | C9 | H10 | 16.7° | 33.7° |
| C5 | C4 | C | H13 | 8.0° | 2.8° |
| C8 | C6 | C7 | N | 179.7° | 179.8° |
| C8 | C6 | C7 | C1 | 0.2° | 0.5° |
| C6 | C8 | H6 | H7 | 120.0° | 120.5° |
| C6 | C8 | H6 | H8 | 120.0° | 120.5° |
| C6 | C8 | H7 | H8 | 120.0° | 120.2° |
| C22 | C23 | C | C4 | 171.2° | 179.0° |
| C22 | C23 | C | N3 | 178.4° | 179.7° |
| C23 | C22 | C21 | C24 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.2° | 0.1° |
| C22 | C23 | N3 | C20 | 0.2° | 0.1° |
| C22 | C23 | N3 | FE | 179.0° | 178.7° |
| C22 | C23 | C | H13 | 8.7° | 2.3° |
| C23 | C22 | C25 | H17 | 21.7° | 149.7° |
| C23 | C22 | C25 | H18 | 141.8° | 33.7° |
| C21 | C22 | C23 | C | 178.4° | 179.6° |
| C22 | C21 | C24 | C20 | 179.8° | 179.8° |
| C21 | C22 | C23 | N3 | 0.2° | 0.2° |
| C22 | C21 | C20 | N3 | 0.1° | 0.1° |
| C22 | C21 | C20 | C3 | 178.6° | 179.5° |
| C22 | C21 | C24 | H14 | 180.0° | 154.5° |
| C22 | C21 | C24 | H15 | 60.0° | 35.0° |
| C22 | C21 | C24 | H16 | 60.0° | 85.3° |
| C21 | C22 | C25 | H17 | 159.4° | 30.6° |
| C21 | C22 | C25 | H18 | 39.3° | 146.6° |
| C4 | C | C23 | H13 | 180.0° | 178.7° |
| C4 | C | C23 | N3 | 10.4° | 1.3° |
| C | C4 | N | C7 | 178.9° | 179.6° |
| C | C4 | N | FE | 3.5° | 2.2° |
| C23 | C | C4 | N | 7.2° | 1.7° |
| C | C23 | N3 | C20 | 178.5° | 179.6° |
| C | C23 | N3 | FE | 2.4° | 1.6° |
| C6 | C7 | N | C4 | 0.2° | 0.3° |
| C6 | C7 | N | C1 | 179.5° | 179.7° |
| C6 | C7 | N | FE | 177.4° | 177.9° |
| C6 | C7 | C1 | C12 | 175.1° | 179.1° |
| C6 | C7 | C1 | H1 | 4.8° | 2.0° |
| C7 | C6 | C8 | H6 | 0.2° | 14.6° |
| C7 | C6 | C8 | H7 | 119.9° | 134.2° |
| C7 | C6 | C8 | H8 | 120.2° | 105.8° |
| C4 | N | C7 | FE | 177.6° | 178.1° |
| C4 | N | C7 | C1 | 179.3° | 179.9° |
| C4 | N | FE | N3 | 7.8° | 2.0° |
| C4 | N | FE | N1 | 176.2° | 179.1° |
| C4 | N | FE | N2 | 99.2° | 87.9° |
| N | C4 | C | H13 | 172.8° | 177.0° |
| C24 | C21 | C20 | N3 | 179.9° | 179.9° |
| C24 | C21 | C20 | C3 | 1.2° | 0.3° |
| C21 | C24 | H14 | H15 | 120.0° | 120.6° |
| C21 | C24 | H14 | H16 | 120.0° | 120.4° |
| C21 | C24 | H15 | H16 | 120.0° | 120.4° |
| C23 | N3 | C20 | C21 | 0.1° | 0.0° |
| C23 | N3 | FE | N | 5.0° | 1.6° |
| C23 | N3 | C20 | FE | 179.2° | 178.8° |
| C23 | N3 | C20 | C3 | 178.7° | 179.6° |
| C23 | N3 | FE | N1 | 80.2° | 90.5° |
| C23 | N3 | FE | N2 | 178.6° | 178.8° |
| N3 | C23 | C | H13 | 169.6° | 177.4° |
| C21 | C20 | N3 | C3 | 178.7° | 179.6° |
| C21 | C20 | N3 | FE | 179.1° | 178.7° |
| C21 | C20 | C3 | C19 | 178.7° | 178.0° |
| C21 | C20 | C3 | H5 | 1.3° | 4.0° |
| C20 | C21 | C24 | H14 | 0.3° | 25.7° |
| C20 | C21 | C24 | H15 | 120.2° | 145.2° |
| C20 | C21 | C24 | H16 | 119.8° | 94.5° |
| C10 | C11 | O | O1 | 178.1° | 179.9° |
| C11 | C10 | H3 | H4 | 116.9° | 117.3° |
| C11 | C10 | C9 | H9 | 179.2° | 63.3° |
| C11 | C10 | C9 | H10 | 60.5° | 51.5° |
| C10 | C11 | O1 | H12 | 178.0° | 176.7° |
| C7 | N | FE | N3 | 175.1° | 179.8° |
| N | C7 | C1 | C12 | 5.4° | 1.4° |
| C7 | N | FE | N1 | 0.9° | 3.1° |
| C7 | N | FE | N2 | 83.7° | 94.3° |
| N | C7 | C1 | H1 | 174.6° | 177.6° |
| C1 | C7 | N | FE | 3.1° | 1.8° |
| C7 | C1 | C12 | H1 | 180.0° | 178.9° |
| C7 | C1 | C12 | N1 | 2.3° | 1.7° |
| C7 | C1 | C12 | C13 | 175.9° | 177.9° |
| N | FE | N3 | C20 | 174.0° | 179.8° |
| N | FE | N3 | N1 | 75.2° | 88.9° |
| N | FE | N3 | N2 | 176.3° | 177.1° |
| N | FE | N1 | N2 | 176.3° | 177.1° |
| N | FE | N1 | C12 | 3.6° | 2.8° |
| N | FE | N1 | C15 | 178.9° | 178.5° |
| N | FE | N2 | C19 | 87.1° | 88.7° |
| N | FE | N2 | C16 | 88.7° | 92.4° |
| N3 | C20 | C3 | C19 | 2.8° | 2.5° |
| C20 | N3 | FE | N1 | 98.8° | 90.9° |
| C20 | N3 | FE | N2 | 2.3° | 2.7° |
| N3 | C20 | C3 | H5 | 177.2° | 175.5° |
| FE | N3 | C20 | C3 | 0.5° | 0.8° |
| N3 | FE | N1 | N2 | 101.1° | 88.2° |
| N3 | FE | N1 | C12 | 71.6° | 91.7° |
| N3 | FE | N1 | C15 | 105.8° | 89.7° |
| N3 | FE | N2 | C19 | 4.2° | 2.8° |
| N3 | FE | N2 | C16 | 179.9° | 178.3° |
| C20 | C3 | C19 | H5 | 180.0° | 178.0° |
| C20 | C3 | C19 | N2 | 0.7° | 2.4° |
| C20 | C3 | C19 | C18 | 178.8° | 176.8° |
| C1 | C12 | N1 | FE | 2.7° | 1.2° |
| C1 | C12 | N1 | C13 | 178.4° | 179.6° |
| C1 | C12 | C13 | C30 | 3.1° | 0.4° |
| C1 | C12 | N1 | C15 | 179.4° | 180.0° |
| C1 | C12 | C13 | C14 | 178.6° | 180.0° |
| C3 | C19 | N2 | FE | 3.5° | 1.0° |
| C3 | C19 | N2 | C18 | 179.6° | 179.4° |
| C3 | C19 | N2 | C16 | 179.9° | 179.9° |
| C3 | C19 | C18 | C32 | 0.3° | 0.9° |
| C3 | C19 | C18 | C17 | 179.5° | 179.8° |
| FE | N1 | C12 | C15 | 177.9° | 178.9° |
| FE | N1 | C12 | C13 | 178.9° | 179.2° |
| N1 | FE | N2 | C19 | 171.7° | 179.9° |
| N1 | FE | N2 | C16 | 4.2° | 1.2° |
| FE | N1 | C15 | C14 | 179.3° | 179.0° |
| FE | N1 | C15 | C2 | 1.4° | 1.1° |
| N2 | FE | N1 | C12 | 172.7° | 179.9° |
| N2 | FE | N1 | C15 | 4.7° | 1.4° |
| FE | N2 | C19 | C16 | 176.6° | 179.1° |
| FE | N2 | C19 | C18 | 176.9° | 179.6° |
| FE | N2 | C16 | C17 | 177.2° | 179.5° |
| FE | N2 | C16 | C2 | 3.0° | 0.6° |
| N1 | C12 | C13 | C30 | 178.5° | 180.0° |
| N1 | C12 | C13 | C14 | 0.2° | 0.4° |
| C12 | N1 | C15 | C14 | 1.3° | 0.2° |
| C12 | N1 | C15 | C2 | 179.3° | 179.9° |
| N1 | C12 | C1 | H1 | 177.7° | 177.2° |
| C12 | C13 | C30 | C14 | 177.8° | 179.5° |
| C12 | C13 | C30 | C31 | 84.1° | 94.1° |
| C13 | C12 | N1 | C15 | 1.0° | 0.3° |
| C12 | C13 | C14 | C15 | 0.6° | 0.3° |
| C12 | C13 | C14 | C33 | 177.6° | 179.7° |
| C13 | C12 | C1 | H1 | 4.1° | 3.2° |
| C12 | C13 | C30 | H26 | 155.0° | 27.3° |
| C12 | C13 | C30 | H27 | 36.8° | 144.4° |
| O | C11 | C10 | H3 | 174.9° | 37.7° |
| O | C11 | C10 | H4 | 56.9° | 154.3° |
| O | C11 | O1 | H12 | 0.0° | 3.2° |
| O1 | C11 | C10 | H3 | 3.2° | 142.2° |
| O1 | C11 | C10 | H4 | 121.2° | 25.7° |
| C13 | C30 | C31 | H26 | 120.9° | 121.9° |
| C13 | C30 | C31 | H27 | 120.9° | 121.7° |
| C30 | C13 | C14 | C15 | 177.6° | 179.8° |
| C30 | C13 | C14 | C33 | 0.6° | 0.2° |
| C13 | C30 | H26 | H27 | 117.2° | 118.6° |
| C13 | C30 | C31 | H28 | 180.0° | 180.0° |
| C13 | C30 | C31 | H29 | 60.0° | 59.9° |
| C13 | C30 | C31 | H30 | 60.0° | 60.0° |
| C31 | C30 | C13 | C14 | 98.0° | 85.4° |
| C31 | C30 | H26 | H27 | 117.2° | 117.7° |
| C30 | C31 | H28 | H29 | 120.0° | 120.1° |
| C30 | C31 | H28 | H30 | 120.0° | 120.1° |
| C30 | C31 | H29 | H30 | 120.0° | 120.0° |
| N1 | C15 | C14 | C13 | 1.3° | 0.1° |
| N1 | C15 | C14 | C2 | 179.4° | 179.9° |
| N1 | C15 | C14 | C33 | 178.2° | 179.9° |
| N1 | C15 | C2 | C16 | 11.0° | 0.1° |
| N1 | C15 | C2 | H2 | 169.0° | 179.8° |
| N2 | C19 | C18 | C32 | 179.9° | 179.8° |
| N2 | C19 | C18 | C17 | 0.1° | 0.5° |
| C19 | N2 | C16 | C17 | 0.7° | 0.4° |
| C19 | N2 | C16 | C2 | 179.6° | 179.7° |
| N2 | C19 | C3 | H5 | 179.3° | 175.6° |
| C18 | C19 | N2 | C16 | 0.3° | 0.6° |
| C19 | C18 | C32 | C17 | 179.7° | 179.2° |
| C19 | C18 | C17 | C16 | 0.5° | 0.2° |
| C19 | C18 | C17 | C28 | 179.4° | 179.4° |
| C18 | C19 | C3 | H5 | 1.2° | 5.2° |
| C19 | C18 | C32 | H31 | 90.1° | 135.2° |
| C19 | C18 | C32 | H32 | 149.8° | 15.4° |
| C19 | C18 | C32 | H33 | 29.9° | 104.9° |
| N2 | C16 | C17 | C18 | 0.7° | 0.1° |
| N2 | C16 | C2 | C15 | 11.9° | 0.3° |
| N2 | C16 | C17 | C2 | 179.8° | 179.9° |
| N2 | C16 | C17 | C28 | 179.1° | 179.8° |
| N2 | C16 | C2 | H2 | 168.1° | 179.6° |
| C13 | C14 | C33 | F2 | 86.6° | 120.0° |
| C13 | C14 | C15 | C33 | 177.0° | 180.0° |
| C13 | C14 | C15 | C2 | 179.4° | 179.8° |
| C13 | C14 | C33 | F | 28.8° | 1.6° |
| C13 | C14 | C33 | F1 | 154.1° | 122.0° |
| C14 | C13 | C30 | H26 | 22.8° | 153.2° |
| C14 | C13 | C30 | H27 | 141.1° | 36.1° |
| F2 | C33 | C14 | C15 | 89.8° | 60.0° |
| F2 | C33 | C14 | F | 115.4° | 121.7° |
| F2 | C33 | C14 | F1 | 119.3° | 118.0° |
| F2 | C33 | F | F1 | 117.9° | 109.4° |
| C29 | C28 | C17 | C18 | 69.0° | 92.7° |
| C29 | C28 | C17 | C16 | 111.1° | 86.9° |
| C29 | C28 | C17 | H21 | 119.9° | 121.7° |
| C29 | C28 | C17 | H22 | 119.9° | 121.0° |
| C29 | C28 | H21 | H22 | 120.1° | 117.5° |
| C28 | C29 | H23 | H24 | 120.0° | 120.1° |
| C28 | C29 | H23 | H25 | 120.0° | 120.1° |
| C28 | C29 | H24 | H25 | 120.0° | 120.1° |
| C32 | C18 | C17 | C16 | 179.8° | 179.6° |
| C32 | C18 | C17 | C28 | 0.4° | 0.1° |
| C18 | C32 | H31 | H32 | 120.0° | 120.9° |
| C18 | C32 | H31 | H33 | 120.0° | 120.2° |
| C18 | C32 | H32 | H33 | 120.0° | 120.5° |
| C18 | C17 | C16 | C28 | 179.9° | 179.7° |
| C18 | C17 | C16 | C2 | 179.5° | 180.0° |
| C18 | C17 | C28 | H21 | 50.9° | 29.0° |
| C18 | C17 | C28 | H22 | 171.0° | 146.3° |
| C17 | C18 | C32 | H31 | 90.1° | 45.6° |
| C17 | C18 | C32 | H32 | 29.9° | 165.4° |
| C17 | C18 | C32 | H33 | 149.8° | 74.3° |
| C14 | C15 | C2 | C16 | 169.8° | 179.8° |
| C15 | C14 | C33 | F | 154.7° | 178.4° |
| C15 | C14 | C33 | F1 | 29.5° | 58.1° |
| C14 | C15 | C2 | H2 | 10.2° | 0.3° |
| C2 | C15 | C14 | C33 | 2.4° | 0.2° |
| C15 | C2 | C16 | C17 | 168.3° | 179.6° |
| C15 | C2 | C16 | H2 | 180.0° | 179.8° |
| C14 | C33 | F | F1 | 126.2° | 124.9° |
| C17 | C16 | C2 | H2 | 11.7° | 0.6° |
| C16 | C17 | C28 | H21 | 128.9° | 151.4° |
| C16 | C17 | C28 | H22 | 8.8° | 34.1° |
| C2 | C16 | C17 | C28 | 0.7° | 0.4° |
| C17 | C28 | H21 | H22 | 120.2° | 118.6° |
| C17 | C28 | C29 | H23 | 180.0° | 179.7° |
| C17 | C28 | C29 | H24 | 60.0° | 60.2° |
| C17 | C28 | C29 | H25 | 60.0° | 59.8° |
| H3 | C10 | C9 | H9 | 58.2° | 175.1° |
| H3 | C10 | C9 | H10 | 178.5° | 70.2° |
| H4 | C10 | C9 | H9 | 59.7° | 58.3° |
| H4 | C10 | C9 | H10 | 60.5° | 173.1° |
| H6 | C8 | H7 | H8 | 120.0° | 118.9° |
| H14 | C24 | H15 | H16 | 120.0° | 119.0° |
| H17 | C25 | C26 | H19 | 169.4° | 175.8° |
| H17 | C25 | C26 | H20 | 71.4° | 59.1° |
| H18 | C25 | C26 | H19 | 49.3° | 69.2° |
| H18 | C25 | C26 | H20 | 168.6° | 174.0° |
| H21 | C28 | C29 | H23 | 60.1° | 58.1° |
| H21 | C28 | C29 | H24 | 60.0° | 62.0° |
| H21 | C28 | C29 | H25 | 179.9° | 178.0° |
| H22 | C28 | C29 | H23 | 60.1° | 58.5° |
| H22 | C28 | C29 | H24 | 179.9° | 178.5° |
| H22 | C28 | C29 | H25 | 60.0° | 61.5° |
| H23 | C29 | H24 | H25 | 120.0° | 119.8° |
| H26 | C30 | C31 | H28 | 59.1° | 58.1° |
| H26 | C30 | C31 | H29 | 179.1° | 178.2° |
| H26 | C30 | C31 | H30 | 60.9° | 61.9° |
| H27 | C30 | C31 | H28 | 59.1° | 58.3° |
| H27 | C30 | C31 | H29 | 60.9° | 61.8° |
| H27 | C30 | C31 | H30 | 179.1° | 178.2° |
| H28 | C31 | H29 | H30 | 120.0° | 119.8° |
| H31 | C32 | H32 | H33 | 120.0° | 118.9° |
