8QQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F1 | C17 | sing | 1.40Å | 1.32Å | |
| F2 | C17 | sing | 1.40Å | 1.33Å | |
| F | C17 | sing | 1.40Å | 1.31Å | |
| C17 | C15 | sing | 1.53Å | 1.58Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| C16 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | O1 | doub | 1.21Å | 1.17Å | |
| C13 | N4 | sing | 1.35Å | 1.35Å | |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C11 | sing | 1.47Å | 1.48Å | |
| N4 | C10 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C8 | sing | 1.53Å | 1.59Å | |
| O | C3 | doub | 1.22Å | 1.23Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C5 | N3 | sing | 1.46Å | 1.48Å | |
| N2 | N3 | sing | 1.29Å | 1.28Å | Aromatic |
| N2 | C | doub | 1.31Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| N3 | C4 | sing | 1.36Å | 1.35Å | Aromatic |
| C3 | C | sing | 1.47Å | 1.46Å | |
| C3 | N1 | sing | 1.35Å | 1.41Å | |
| C8 | O2 | sing | 1.43Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C | C1 | sing | 1.47Å | 1.36Å | Aromatic |
| C7 | N1 | sing | 1.46Å | 1.45Å | |
| N1 | C2 | sing | 1.36Å | 1.41Å | |
| C4 | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C6 | sing | 1.48Å | 1.50Å | |
| C1 | N | sing | 1.35Å | 1.45Å | |
| C6 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C6 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | N | doub | 1.30Å | 1.31Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.37Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | N5 | sing | 1.47Å | 1.48Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.08Å | 1.08Å | |
| C27 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| C7 | H18 | sing | 1.09Å | 1.10Å | |
| C7 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H22 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | H28 | sing | 1.01Å | 1.00Å | |
| N5 | H29 | sing | 1.01Å | 1.00Å | |
| C19 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C17 | F2 | 113.6° | 109.5° |
| F1 | C17 | F | 106.9° | 109.5° |
| F1 | C17 | C15 | 107.4° | 109.5° |
| F2 | C17 | F | 110.8° | 109.5° |
| F2 | C17 | C15 | 106.1° | 109.4° |
| F | C17 | C15 | 112.1° | 109.5° |
| C17 | C15 | C14 | 108.3° | 109.5° |
| C17 | C15 | C16 | 115.5° | 109.5° |
| C17 | C15 | H1 | 105.9° | 109.4° |
| C14 | C15 | C16 | 113.5° | 109.5° |
| C15 | C14 | C13 | 110.7° | 109.5° |
| C14 | C15 | H1 | 106.4° | 109.5° |
| C15 | C14 | H7 | 109.1° | 109.5° |
| C15 | C14 | H8 | 109.1° | 109.5° |
| C15 | C16 | C24 | 126.5° | 120.0° |
| C15 | C16 | C28 | 116.3° | 120.0° |
| C16 | C15 | H1 | 106.6° | 109.5° |
| C14 | C13 | O1 | 115.7° | 120.0° |
| C14 | C13 | N4 | 125.3° | 120.0° |
| C13 | C14 | H7 | 109.2° | 109.5° |
| C13 | C14 | H8 | 109.2° | 109.5° |
| C24 | C16 | C28 | 117.0° | 120.0° |
| C16 | C24 | C25 | 122.1° | 120.0° |
| C16 | C24 | H6 | 118.9° | 120.0° |
| C16 | C28 | C27 | 120.1° | 120.0° |
| C16 | C28 | H2 | 119.9° | 120.0° |
| C24 | C25 | C26 | 121.2° | 120.0° |
| C24 | C25 | H5 | 119.4° | 120.0° |
| C25 | C24 | H6 | 119.0° | 120.0° |
| C28 | C27 | C26 | 122.1° | 120.0° |
| C27 | C28 | H2 | 119.9° | 120.0° |
| C28 | C27 | H3 | 119.0° | 120.0° |
| C25 | C26 | C27 | 117.4° | 120.0° |
| C25 | C26 | H4 | 121.3° | 120.0° |
| C26 | C25 | H5 | 119.4° | 120.0° |
| O1 | C13 | N4 | 119.0° | 120.0° |
| C13 | N4 | C11 | 126.0° | 120.6° |
| C13 | N4 | C10 | 122.6° | 120.6° |
| C26 | C27 | H3 | 119.0° | 120.0° |
| C27 | C26 | H4 | 121.3° | 120.0° |
| C11 | N4 | C10 | 111.5° | 118.7° |
| N4 | C11 | C12 | 112.7° | 108.7° |
| N4 | C11 | H13 | 108.7° | 109.6° |
| N4 | C11 | H14 | 108.7° | 109.6° |
| N4 | C10 | C9 | 106.4° | 108.7° |
| N4 | C10 | H9 | 110.2° | 109.6° |
| N4 | C10 | H10 | 110.2° | 109.6° |
| C11 | C12 | C8 | 109.3° | 109.4° |
| C12 | C11 | H13 | 108.7° | 109.6° |
| C12 | C11 | H14 | 108.7° | 109.6° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C12 | C8 | C9 | 105.3° | 109.4° |
| C12 | C8 | O2 | 108.0° | 109.7° |
| C12 | C8 | C7 | 112.0° | 109.3° |
| C8 | C12 | H15 | 109.5° | 109.6° |
| C8 | C12 | H16 | 109.5° | 109.4° |
| O | C3 | C | 123.4° | 121.3° |
| O | C3 | N1 | 123.0° | 121.3° |
| C10 | C9 | C8 | 113.4° | 109.3° |
| C9 | C10 | H9 | 110.2° | 109.6° |
| C9 | C10 | H10 | 110.2° | 109.5° |
| C10 | C9 | H11 | 108.4° | 109.5° |
| C10 | C9 | H12 | 108.4° | 109.5° |
| C5 | N3 | N2 | 121.4° | 124.3° |
| C5 | N3 | C4 | 125.4° | 124.3° |
| N3 | C5 | H21 | 109.5° | 109.5° |
| N3 | C5 | H22 | 109.5° | 109.5° |
| N3 | C5 | H23 | 109.5° | 109.5° |
| N3 | N2 | C | 107.1° | 111.2° |
| N2 | N3 | C4 | 113.1° | 111.4° |
| N2 | C | C3 | 129.9° | 136.4° |
| N2 | C | C1 | 108.5° | 106.5° |
| C9 | C8 | O2 | 105.5° | 109.5° |
| C9 | C8 | C7 | 111.5° | 109.5° |
| C8 | C9 | H11 | 108.5° | 109.5° |
| C8 | C9 | H12 | 108.5° | 109.5° |
| N3 | C4 | C1 | 103.9° | 106.5° |
| N3 | C4 | C6 | 130.0° | 126.7° |
| C | C3 | N1 | 113.6° | 117.4° |
| C3 | C | C1 | 121.4° | 117.1° |
| C3 | N1 | C7 | 120.5° | 119.3° |
| C3 | N1 | C2 | 121.6° | 121.5° |
| O2 | C8 | C7 | 113.9° | 109.4° |
| C8 | O2 | H17 | 109.5° | 114.0° |
| C8 | C7 | N1 | 106.6° | 109.5° |
| C8 | C7 | H18 | 110.2° | 109.4° |
| C8 | C7 | H19 | 110.2° | 109.5° |
| C | C1 | C4 | 107.2° | 104.4° |
| C | C1 | N | 123.2° | 118.7° |
| C7 | N1 | C2 | 117.7° | 119.3° |
| N1 | C7 | H18 | 110.2° | 109.5° |
| N1 | C7 | H19 | 110.2° | 109.5° |
| N1 | C2 | N | 126.1° | 124.0° |
| N1 | C2 | H20 | 116.9° | 118.0° |
| C1 | C4 | C6 | 126.0° | 126.7° |
| C4 | C1 | N | 129.5° | 136.9° |
| C4 | C6 | C22 | 119.0° | 120.2° |
| C4 | C6 | C18 | 122.9° | 120.1° |
| C1 | N | C2 | 113.8° | 121.4° |
| C22 | C6 | C18 | 118.1° | 119.7° |
| C6 | C22 | C21 | 121.3° | 119.9° |
| C6 | C22 | H24 | 119.3° | 120.1° |
| C6 | C18 | C19 | 121.2° | 119.8° |
| C6 | C18 | H32 | 119.4° | 120.1° |
| N | C2 | H20 | 116.9° | 118.0° |
| C22 | C21 | C20 | 118.8° | 120.2° |
| C21 | C22 | H24 | 119.3° | 120.1° |
| C22 | C21 | H25 | 120.6° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C18 | C19 | H31 | 120.1° | 120.0° |
| C19 | C18 | H32 | 119.4° | 120.0° |
| C21 | C20 | C19 | 120.6° | 120.3° |
| C21 | C20 | C23 | 122.7° | 119.8° |
| C20 | C21 | H25 | 120.6° | 119.9° |
| C19 | C20 | C23 | 116.8° | 119.8° |
| C20 | C19 | H31 | 120.0° | 119.9° |
| C20 | C23 | N5 | 105.5° | 109.5° |
| C20 | C23 | H26 | 110.5° | 109.5° |
| C20 | C23 | H27 | 110.4° | 109.5° |
| N5 | C23 | H26 | 110.4° | 109.5° |
| N5 | C23 | H27 | 110.5° | 109.5° |
| C23 | N5 | H28 | 109.5° | 111.0° |
| C23 | N5 | H29 | 109.5° | 111.0° |
| H7 | C14 | H8 | 109.4° | 109.4° |
| H9 | C10 | H10 | 109.5° | 109.7° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.7° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H18 | C7 | H19 | 109.5° | 109.4° |
| H21 | C5 | H22 | 109.4° | 109.4° |
| H21 | C5 | H23 | 109.5° | 109.5° |
| H22 | C5 | H23 | 109.5° | 109.5° |
| H26 | C23 | H27 | 109.5° | 109.4° |
| H28 | N5 | H29 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C17 | F2 | F | 120.4° | 120.0° |
| F1 | C17 | F2 | C15 | 117.8° | 120.0° |
| F1 | C17 | F | C15 | 117.4° | 120.0° |
| F1 | C17 | C15 | C14 | 54.7° | 173.9° |
| F1 | C17 | C15 | C16 | 176.8° | 53.9° |
| F1 | C17 | C15 | H1 | 59.1° | 66.1° |
| F2 | C17 | F | C15 | 118.3° | 119.9° |
| F2 | C17 | C15 | C14 | 176.5° | 54.0° |
| F2 | C17 | C15 | C16 | 55.0° | 66.1° |
| F2 | C17 | C15 | H1 | 62.7° | 174.0° |
| F | C17 | C15 | C14 | 62.5° | 66.0° |
| F | C17 | C15 | C16 | 66.0° | 174.0° |
| F | C17 | C15 | H1 | 176.3° | 54.0° |
| C17 | C15 | C14 | C16 | 129.6° | 120.0° |
| C17 | C15 | C14 | H1 | 113.5° | 120.0° |
| C17 | C15 | C16 | H1 | 117.3° | 119.9° |
| C17 | C15 | C14 | C13 | 171.5° | 173.8° |
| C17 | C15 | C16 | C24 | 54.4° | 120.0° |
| C17 | C15 | C16 | C28 | 130.4° | 60.3° |
| C17 | C15 | C14 | H7 | 68.3° | 66.2° |
| C17 | C15 | C14 | H8 | 51.3° | 53.8° |
| C14 | C15 | C16 | H1 | 116.8° | 120.0° |
| C15 | C14 | C13 | H7 | 120.2° | 120.0° |
| C15 | C14 | C13 | H8 | 120.2° | 120.1° |
| C14 | C15 | C16 | C24 | 71.4° | 120.0° |
| C14 | C15 | C16 | C28 | 103.7° | 59.7° |
| C15 | C14 | C13 | O1 | 67.8° | 2.2° |
| C15 | C14 | C13 | N4 | 113.0° | 177.7° |
| C15 | C14 | H7 | H8 | 119.4° | 120.0° |
| C16 | C15 | C14 | C13 | 58.9° | 66.1° |
| C15 | C16 | C24 | C28 | 175.1° | 179.7° |
| C15 | C16 | C24 | C25 | 177.4° | 179.7° |
| C15 | C16 | C28 | C27 | 176.3° | 180.0° |
| C15 | C16 | C28 | H2 | 3.7° | 0.1° |
| C15 | C16 | C24 | H6 | 2.5° | 0.0° |
| C16 | C15 | C14 | H7 | 61.3° | 53.8° |
| C16 | C15 | C14 | H8 | 179.1° | 173.8° |
| C14 | C13 | O1 | N4 | 179.3° | 179.9° |
| C14 | C13 | N4 | C11 | 5.1° | 180.0° |
| C14 | C13 | N4 | C10 | 175.6° | 0.2° |
| C13 | C14 | C15 | H1 | 58.0° | 53.9° |
| C13 | C14 | H7 | H8 | 119.4° | 120.0° |
| C16 | C24 | C25 | H6 | 180.0° | 179.7° |
| C24 | C16 | C28 | C27 | 0.7° | 0.3° |
| C16 | C24 | C25 | C26 | 1.7° | 0.5° |
| C24 | C16 | C15 | H1 | 171.8° | 0.0° |
| C24 | C16 | C28 | H2 | 179.3° | 179.8° |
| C16 | C24 | C25 | H5 | 178.3° | 179.7° |
| C28 | C16 | C24 | C25 | 2.4° | 0.5° |
| C16 | C28 | C27 | H2 | 180.0° | 179.9° |
| C16 | C28 | C27 | C26 | 1.7° | 0.0° |
| C28 | C16 | C15 | H1 | 13.1° | 179.7° |
| C16 | C28 | C27 | H3 | 178.3° | 180.0° |
| C28 | C16 | C24 | H6 | 177.6° | 179.7° |
| C24 | C25 | C26 | H5 | 180.0° | 179.7° |
| C24 | C25 | C26 | C27 | 0.7° | 0.3° |
| C24 | C25 | C26 | H4 | 179.3° | 179.8° |
| C28 | C27 | C26 | C25 | 2.4° | 0.0° |
| C28 | C27 | C26 | H3 | 180.0° | 180.0° |
| C28 | C27 | C26 | H4 | 177.6° | 180.0° |
| C25 | C26 | C27 | H4 | 180.0° | 179.9° |
| C25 | C26 | C27 | H3 | 177.6° | 180.0° |
| C26 | C25 | C24 | H6 | 178.3° | 179.7° |
| O1 | C13 | N4 | C11 | 174.1° | 0.1° |
| O1 | C13 | N4 | C10 | 5.2° | 179.8° |
| O1 | C13 | C14 | H7 | 172.0° | 117.8° |
| O1 | C13 | C14 | H8 | 52.4° | 122.3° |
| C13 | N4 | C11 | C10 | 179.4° | 179.8° |
| C13 | N4 | C11 | C12 | 118.9° | 126.4° |
| C13 | N4 | C10 | C9 | 119.7° | 126.4° |
| N4 | C13 | C14 | H7 | 7.2° | 62.3° |
| N4 | C13 | C14 | H8 | 126.8° | 57.6° |
| C13 | N4 | C10 | H9 | 120.8° | 113.7° |
| C13 | N4 | C10 | H10 | 0.2° | 6.7° |
| C13 | N4 | C11 | H13 | 1.6° | 6.7° |
| C13 | N4 | C11 | H14 | 120.6° | 113.7° |
| C26 | C27 | C28 | H2 | 178.3° | 179.9° |
| C27 | C26 | C25 | H5 | 179.3° | 180.0° |
| N4 | C11 | C12 | H13 | 120.5° | 119.7° |
| N4 | C11 | C12 | H14 | 120.5° | 119.8° |
| N4 | C11 | C12 | C8 | 56.9° | 54.8° |
| C11 | N4 | C10 | C9 | 60.9° | 53.4° |
| C11 | N4 | C10 | H9 | 58.6° | 66.4° |
| C11 | N4 | C10 | H10 | 179.6° | 173.1° |
| N4 | C11 | H13 | H14 | 118.5° | 120.4° |
| N4 | C11 | C12 | H15 | 63.0° | 65.3° |
| N4 | C11 | C12 | H16 | 176.9° | 174.6° |
| C10 | N4 | C11 | C12 | 61.7° | 53.4° |
| N4 | C10 | C9 | H9 | 119.5° | 119.9° |
| N4 | C10 | C9 | H10 | 119.5° | 119.7° |
| N4 | C10 | C9 | C8 | 63.1° | 54.7° |
| N4 | C10 | H9 | H10 | 121.4° | 120.4° |
| N4 | C10 | C9 | H11 | 176.3° | 174.6° |
| N4 | C10 | C9 | H12 | 57.5° | 65.3° |
| C10 | N4 | C11 | H13 | 177.8° | 173.1° |
| C10 | N4 | C11 | H14 | 58.8° | 66.4° |
| C11 | C12 | C8 | H15 | 120.0° | 120.0° |
| C11 | C12 | C8 | H16 | 120.0° | 119.9° |
| C11 | C12 | C8 | C9 | 53.6° | 61.7° |
| C11 | C12 | C8 | O2 | 58.7° | 58.5° |
| C11 | C12 | C8 | C7 | 175.1° | 178.5° |
| C12 | C11 | H13 | H14 | 118.5° | 120.4° |
| C11 | C12 | H15 | H16 | 120.1° | 120.0° |
| C12 | C8 | C9 | C10 | 59.2° | 61.7° |
| C12 | C8 | C9 | O2 | 114.1° | 120.3° |
| C12 | C8 | C9 | C7 | 121.8° | 119.8° |
| C12 | C8 | O2 | C7 | 125.1° | 120.0° |
| C12 | C8 | C7 | N1 | 63.5° | 60.2° |
| C12 | C8 | C9 | H11 | 179.7° | 178.4° |
| C12 | C8 | C9 | H12 | 61.4° | 58.3° |
| C8 | C12 | C11 | H13 | 177.4° | 174.5° |
| C8 | C12 | C11 | H14 | 63.6° | 65.1° |
| C8 | C12 | H15 | H16 | 120.1° | 120.0° |
| C12 | C8 | O2 | H17 | 180.0° | 59.9° |
| C12 | C8 | C7 | H18 | 176.9° | 179.8° |
| C12 | C8 | C7 | H19 | 56.0° | 59.8° |
| O | C3 | C | N2 | 1.6° | 0.0° |
| O | C3 | C | N1 | 179.5° | 180.0° |
| O | C3 | C | C1 | 178.0° | 180.0° |
| O | C3 | N1 | C7 | 4.7° | 0.0° |
| O | C3 | N1 | C2 | 178.8° | 180.0° |
| C10 | C9 | C8 | H11 | 120.6° | 119.9° |
| C10 | C9 | C8 | H12 | 120.6° | 120.0° |
| C10 | C9 | C8 | O2 | 54.9° | 58.6° |
| C10 | C9 | C8 | C7 | 179.1° | 178.6° |
| C9 | C10 | H9 | H10 | 121.4° | 120.3° |
| C10 | C9 | H11 | H12 | 118.1° | 120.1° |
| C5 | N3 | N2 | C4 | 176.0° | 179.9° |
| C5 | N3 | N2 | C | 178.2° | 179.9° |
| C5 | N3 | C4 | C1 | 176.5° | 180.0° |
| C5 | N3 | C4 | C6 | 2.3° | 0.1° |
| N3 | C5 | H21 | H22 | 120.0° | 120.0° |
| N3 | C5 | H21 | H23 | 120.0° | 120.0° |
| N3 | C5 | H22 | H23 | 120.0° | 120.0° |
| N3 | N2 | C | C3 | 179.6° | 180.0° |
| N3 | N2 | C | C1 | 2.9° | 0.0° |
| N2 | N3 | C4 | C1 | 0.6° | 0.0° |
| N2 | N3 | C4 | C6 | 178.1° | 179.9° |
| N2 | N3 | C5 | H21 | 0.0° | 90.0° |
| N2 | N3 | C5 | H22 | 120.0° | 150.1° |
| N2 | N3 | C5 | H23 | 120.0° | 30.0° |
| C | N2 | N3 | C4 | 2.2° | 0.0° |
| N2 | C | C3 | C1 | 176.4° | 179.9° |
| N2 | C | C3 | N1 | 178.9° | 180.0° |
| N2 | C | C1 | C4 | 2.5° | 0.1° |
| N2 | C | C1 | N | 179.7° | 180.0° |
| C9 | C8 | O2 | C7 | 122.7° | 120.0° |
| C9 | C8 | C7 | N1 | 178.7° | 180.0° |
| C8 | C9 | C10 | H9 | 56.4° | 65.2° |
| C8 | C9 | C10 | H10 | 177.4° | 174.4° |
| C8 | C9 | H11 | H12 | 118.2° | 120.1° |
| C9 | C8 | C12 | H15 | 66.3° | 58.3° |
| C9 | C8 | C12 | H16 | 173.6° | 178.4° |
| C9 | C8 | O2 | H17 | 67.7° | 180.0° |
| C9 | C8 | C7 | H18 | 59.1° | 60.0° |
| C9 | C8 | C7 | H19 | 61.8° | 60.0° |
| N3 | C4 | C1 | C | 1.2° | 0.1° |
| N3 | C4 | C1 | C6 | 178.8° | 179.9° |
| N3 | C4 | C1 | N | 178.2° | 180.0° |
| N3 | C4 | C6 | C22 | 130.3° | 44.9° |
| N3 | C4 | C6 | C18 | 47.8° | 134.8° |
| C4 | N3 | C5 | H21 | 175.5° | 89.9° |
| C4 | N3 | C5 | H22 | 55.5° | 30.0° |
| C4 | N3 | C5 | H23 | 64.5° | 150.1° |
| C | C3 | N1 | C7 | 175.8° | 180.0° |
| C | C3 | N1 | C2 | 1.7° | 0.0° |
| C3 | C | C1 | C4 | 179.6° | 180.0° |
| C3 | C | C1 | N | 3.2° | 0.0° |
| C3 | N1 | C7 | C8 | 92.9° | 90.0° |
| N1 | C3 | C | C1 | 2.5° | 0.0° |
| C3 | N1 | C7 | C2 | 174.4° | 179.9° |
| C3 | N1 | C2 | N | 1.7° | 0.0° |
| C3 | N1 | C7 | H18 | 147.5° | 150.0° |
| C3 | N1 | C7 | H19 | 26.6° | 30.0° |
| C3 | N1 | C2 | H20 | 178.3° | 179.9° |
| O2 | C8 | C7 | N1 | 59.4° | 60.0° |
| O2 | C8 | C9 | H11 | 65.7° | 61.3° |
| O2 | C8 | C9 | H12 | 175.5° | 178.6° |
| O2 | C8 | C12 | H15 | 178.6° | 178.5° |
| O2 | C8 | C12 | H16 | 61.3° | 61.5° |
| O2 | C8 | C7 | H18 | 60.2° | 60.0° |
| O2 | C8 | C7 | H19 | 179.0° | 179.9° |
| C8 | C7 | N1 | H18 | 119.5° | 120.0° |
| C8 | C7 | N1 | H19 | 119.6° | 120.0° |
| C8 | C7 | N1 | C2 | 81.4° | 90.0° |
| C7 | C8 | C9 | H11 | 58.5° | 58.7° |
| C7 | C8 | C9 | H12 | 60.4° | 61.4° |
| C7 | C8 | C12 | H15 | 55.1° | 61.5° |
| C7 | C8 | C12 | H16 | 64.9° | 58.6° |
| C7 | C8 | O2 | H17 | 54.9° | 60.0° |
| C8 | C7 | H18 | H19 | 121.3° | 120.0° |
| C | C1 | C4 | N | 177.0° | 180.0° |
| C | C1 | C4 | C6 | 180.0° | 180.0° |
| C | C1 | N | C2 | 2.8° | 0.0° |
| C7 | N1 | C2 | N | 176.0° | 179.9° |
| N1 | C7 | H18 | H19 | 121.3° | 120.0° |
| C7 | N1 | C2 | H20 | 4.0° | 0.0° |
| N1 | C2 | N | C1 | 2.0° | 0.0° |
| N1 | C2 | N | H20 | 180.0° | 179.9° |
| C2 | N1 | C7 | H18 | 38.1° | 30.0° |
| C2 | N1 | C7 | H19 | 159.0° | 150.0° |
| C1 | C4 | C6 | C22 | 48.2° | 134.9° |
| C1 | C4 | C6 | C18 | 133.7° | 45.3° |
| C4 | C1 | N | C2 | 179.4° | 179.9° |
| C6 | C4 | C1 | N | 3.0° | 0.1° |
| C4 | C6 | C22 | C18 | 178.1° | 179.7° |
| C4 | C6 | C22 | C21 | 178.9° | 180.0° |
| C4 | C6 | C18 | C19 | 179.3° | 179.7° |
| C4 | C6 | C22 | H24 | 1.1° | 0.1° |
| C4 | C6 | C18 | H32 | 0.7° | 0.0° |
| C1 | N | C2 | H20 | 178.0° | 180.0° |
| C6 | C22 | C21 | H24 | 180.0° | 180.0° |
| C22 | C6 | C18 | C19 | 1.3° | 0.6° |
| C6 | C22 | C21 | C20 | 0.2° | 0.0° |
| C6 | C22 | C21 | H25 | 179.8° | 180.0° |
| C22 | C6 | C18 | H32 | 178.7° | 179.7° |
| C18 | C6 | C22 | C21 | 0.8° | 0.3° |
| C6 | C18 | C19 | H32 | 180.0° | 179.7° |
| C6 | C18 | C19 | C20 | 0.6° | 0.6° |
| C18 | C6 | C22 | H24 | 179.2° | 179.8° |
| C6 | C18 | C19 | H31 | 179.3° | 179.7° |
| C22 | C21 | C20 | H25 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 0.9° | 0.0° |
| C22 | C21 | C20 | C23 | 177.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.4° | 0.3° |
| C18 | C19 | C20 | H31 | 180.0° | 179.7° |
| C18 | C19 | C20 | C23 | 178.0° | 179.7° |
| C21 | C20 | C19 | C23 | 178.5° | 180.0° |
| C21 | C20 | C23 | N5 | 89.0° | 90.0° |
| C20 | C21 | C22 | H24 | 179.7° | 179.9° |
| C21 | C20 | C23 | H26 | 151.6° | 150.0° |
| C21 | C20 | C23 | H27 | 30.4° | 30.0° |
| C21 | C20 | C19 | H31 | 179.6° | 180.0° |
| C19 | C20 | C23 | N5 | 89.4° | 90.0° |
| C19 | C20 | C21 | H25 | 179.1° | 179.9° |
| C19 | C20 | C23 | H26 | 30.0° | 30.0° |
| C19 | C20 | C23 | H27 | 151.2° | 150.0° |
| C20 | C19 | C18 | H32 | 179.3° | 179.7° |
| C20 | C23 | N5 | H26 | 119.4° | 120.0° |
| C20 | C23 | N5 | H27 | 119.4° | 120.0° |
| C23 | C20 | C21 | H25 | 2.5° | 0.0° |
| C20 | C23 | H26 | H27 | 121.8° | 120.0° |
| C20 | C23 | N5 | H28 | 180.0° | 56.1° |
| C20 | C23 | N5 | H29 | 60.0° | 180.0° |
| C23 | C20 | C19 | H31 | 2.0° | 0.0° |
| N5 | C23 | H26 | H27 | 121.8° | 120.0° |
| C23 | N5 | H28 | H29 | 120.0° | 123.9° |
| H1 | C15 | C14 | H7 | 178.2° | 173.9° |
| H1 | C15 | C14 | H8 | 62.2° | 66.2° |
| H2 | C28 | C27 | H3 | 1.7° | 0.0° |
| H3 | C27 | C26 | H4 | 2.4° | 0.0° |
| H4 | C26 | C25 | H5 | 0.7° | 0.0° |
| H5 | C25 | C24 | H6 | 1.7° | 0.0° |
| H9 | C10 | C9 | H11 | 64.2° | 54.7° |
| H9 | C10 | C9 | H12 | 177.0° | 174.9° |
| H10 | C10 | C9 | H11 | 56.8° | 65.7° |
| H10 | C10 | C9 | H12 | 62.0° | 54.5° |
| H13 | C11 | C12 | H15 | 57.5° | 54.4° |
| H13 | C11 | C12 | H16 | 62.6° | 65.6° |
| H14 | C11 | C12 | H15 | 176.5° | 174.8° |
| H14 | C11 | C12 | H16 | 56.4° | 54.8° |
| H21 | C5 | H22 | H23 | 120.0° | 120.0° |
| H24 | C22 | C21 | H25 | 0.3° | 0.0° |
| H26 | C23 | N5 | H28 | 60.6° | 63.9° |
| H26 | C23 | N5 | H29 | 179.4° | 60.0° |
| H27 | C23 | N5 | H28 | 60.7° | 176.1° |
| H27 | C23 | N5 | H29 | 59.4° | 60.0° |
| H31 | C19 | C18 | H32 | 0.7° | 0.0° |
