Q8J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C7 | sing | 1.33Å | 1.34Å | Aromatic |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.48Å | |
| C10 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.47Å | 1.46Å | |
| C7 | N2 | sing | 1.39Å | 1.41Å | |
| C7 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.36Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C22 | C21 | doub | 1.37Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.39Å | Aromatic |
| N | C5 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.48Å | 1.48Å | |
| C21 | N5 | sing | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C6 | O | doub | 1.22Å | 1.23Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C23 | C12 | sing | 1.47Å | 1.47Å | Aromatic |
| C23 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.37Å | Aromatic |
| N5 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N4 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| N4 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C18 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | O1 | sing | 1.43Å | 1.42Å | |
| C16 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.08Å | 1.08Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.08Å | 1.08Å | |
| N2 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C11 | C10 | 123.7° | 121.0° |
| C11 | N3 | C7 | 117.4° | 121.9° |
| N3 | C11 | H7 | 118.1° | 119.5° |
| C11 | C10 | C9 | 119.1° | 119.1° |
| C10 | C11 | H7 | 118.2° | 119.5° |
| C11 | C10 | H25 | 120.4° | 120.5° |
| N3 | C7 | N2 | 114.8° | 119.6° |
| N3 | C7 | C8 | 122.9° | 120.7° |
| C | C1 | N | 114.3° | 109.5° |
| C | C1 | H1 | 108.3° | 109.5° |
| C | C1 | H2 | 108.3° | 109.5° |
| C1 | C | H22 | 109.5° | 109.5° |
| C1 | C | H23 | 109.5° | 109.5° |
| C1 | C | H24 | 109.5° | 109.4° |
| C3 | C2 | N | 111.3° | 109.3° |
| C2 | C3 | N1 | 109.2° | 108.5° |
| C3 | C2 | H3 | 109.0° | 109.5° |
| C3 | C2 | H4 | 109.0° | 109.5° |
| C2 | C3 | H5 | 109.5° | 109.6° |
| C2 | C3 | H6 | 109.5° | 109.6° |
| C2 | N | C1 | 110.7° | 111.0° |
| C2 | N | C5 | 110.9° | 111.3° |
| N | C2 | H3 | 109.0° | 109.5° |
| N | C2 | H4 | 109.0° | 109.5° |
| C10 | C9 | C8 | 118.2° | 118.2° |
| C10 | C9 | C12 | 121.5° | 120.9° |
| C9 | C10 | H25 | 120.5° | 120.4° |
| C3 | N1 | C6 | 121.0° | 120.9° |
| C3 | N1 | C4 | 110.6° | 118.2° |
| N1 | C3 | H5 | 109.5° | 109.6° |
| N1 | C3 | H6 | 109.5° | 109.6° |
| N2 | C7 | C8 | 122.3° | 119.7° |
| C7 | N2 | C6 | 128.0° | 120.0° |
| C7 | N2 | H31 | 116.0° | 120.0° |
| C7 | C8 | C9 | 118.8° | 119.0° |
| C7 | C8 | H30 | 120.6° | 120.5° |
| N2 | C6 | N1 | 116.2° | 120.0° |
| N2 | C6 | O | 122.9° | 120.0° |
| C6 | N2 | H31 | 116.1° | 120.0° |
| C1 | N | C5 | 110.6° | 111.0° |
| N | C1 | H1 | 108.3° | 109.5° |
| N | C1 | H2 | 108.2° | 109.4° |
| C21 | C22 | C23 | 118.0° | 118.7° |
| C22 | C21 | N5 | 124.0° | 121.3° |
| C22 | C21 | H19 | 118.0° | 119.4° |
| C21 | C22 | H20 | 121.0° | 120.7° |
| C22 | C23 | C12 | 132.8° | 135.2° |
| C22 | C23 | C19 | 119.1° | 118.8° |
| C23 | C22 | H20 | 121.0° | 120.6° |
| N | C5 | C4 | 111.6° | 109.4° |
| N | C5 | H28 | 108.9° | 109.5° |
| N | C5 | H29 | 108.9° | 109.5° |
| C8 | C9 | C12 | 120.4° | 120.9° |
| C9 | C8 | H30 | 120.6° | 120.6° |
| C9 | C12 | C23 | 129.6° | 126.7° |
| C9 | C12 | C13 | 126.3° | 126.7° |
| C21 | N5 | C20 | 117.3° | 122.5° |
| N5 | C21 | H19 | 118.0° | 119.4° |
| C6 | N1 | C4 | 118.6° | 120.9° |
| N1 | C6 | O | 121.0° | 120.0° |
| N1 | C4 | C5 | 111.1° | 108.5° |
| N1 | C4 | H26 | 109.0° | 109.6° |
| N1 | C4 | H27 | 109.0° | 109.8° |
| C5 | C4 | H26 | 109.1° | 109.6° |
| C5 | C4 | H27 | 109.1° | 109.6° |
| C4 | C5 | H28 | 108.9° | 109.5° |
| C4 | C5 | H29 | 108.9° | 109.5° |
| C12 | C23 | C19 | 108.1° | 106.1° |
| C23 | C12 | C13 | 104.1° | 106.6° |
| C23 | C19 | C20 | 117.4° | 118.4° |
| C23 | C19 | N4 | 107.1° | 107.3° |
| C12 | C13 | N4 | 111.8° | 109.8° |
| C12 | C13 | H8 | 124.1° | 125.1° |
| N5 | C20 | C19 | 124.1° | 120.3° |
| N5 | C20 | H18 | 118.0° | 119.8° |
| C20 | C19 | N4 | 135.5° | 134.3° |
| C19 | C20 | H18 | 117.9° | 119.9° |
| C19 | N4 | C13 | 108.9° | 110.2° |
| C19 | N4 | C14 | 127.6° | 124.9° |
| C13 | N4 | C14 | 123.5° | 124.9° |
| N4 | C13 | H8 | 124.1° | 125.1° |
| N4 | C14 | C18 | 111.1° | 109.5° |
| N4 | C14 | C15 | 111.3° | 109.5° |
| N4 | C14 | H9 | 108.3° | 109.6° |
| C18 | C14 | C15 | 110.8° | 109.0° |
| C14 | C18 | C17 | 107.6° | 109.1° |
| C18 | C14 | H9 | 107.6° | 109.6° |
| C14 | C18 | H16 | 110.0° | 109.5° |
| C14 | C18 | H17 | 109.9° | 109.5° |
| C14 | C15 | C16 | 106.6° | 109.1° |
| C15 | C14 | H9 | 107.6° | 109.5° |
| C14 | C15 | H10 | 110.2° | 109.5° |
| C14 | C15 | H11 | 110.2° | 109.5° |
| C18 | C17 | O1 | 111.1° | 109.4° |
| C18 | C17 | H14 | 109.1° | 109.4° |
| C18 | C17 | H15 | 109.1° | 109.5° |
| C17 | C18 | H16 | 109.9° | 109.6° |
| C17 | C18 | H17 | 109.9° | 109.5° |
| C15 | C16 | O1 | 111.1° | 109.4° |
| C16 | C15 | H10 | 110.2° | 109.5° |
| C16 | C15 | H11 | 110.2° | 109.5° |
| C15 | C16 | H12 | 109.1° | 109.5° |
| C15 | C16 | H13 | 109.1° | 109.5° |
| C17 | O1 | C16 | 110.0° | 114.1° |
| O1 | C17 | H14 | 109.0° | 109.5° |
| O1 | C17 | H15 | 109.0° | 109.5° |
| O1 | C16 | H12 | 109.1° | 109.5° |
| O1 | C16 | H13 | 109.0° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.6° |
| H5 | C3 | H6 | 109.4° | 109.8° |
| H10 | C15 | H11 | 109.5° | 109.6° |
| H12 | C16 | H13 | 109.5° | 109.4° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.6° |
| H22 | C | H23 | 109.5° | 109.5° |
| H22 | C | H24 | 109.5° | 109.5° |
| H23 | C | H24 | 109.4° | 109.5° |
| H26 | C4 | H27 | 109.5° | 109.7° |
| H28 | C5 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C11 | C10 | H7 | 180.0° | 179.8° |
| N3 | C11 | C10 | C9 | 0.1° | 0.1° |
| C11 | N3 | C7 | N2 | 177.8° | 180.0° |
| C11 | N3 | C7 | C8 | 0.4° | 0.1° |
| N3 | C11 | C10 | H25 | 179.9° | 179.9° |
| C10 | C11 | N3 | C7 | 0.2° | 0.1° |
| C11 | C10 | C9 | H25 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.1° |
| C11 | C10 | C9 | C12 | 178.5° | 180.0° |
| N3 | C7 | N2 | C8 | 178.2° | 180.0° |
| N3 | C7 | N2 | C6 | 149.6° | 162.0° |
| N3 | C7 | C8 | C9 | 0.9° | 0.1° |
| C7 | N3 | C11 | H7 | 179.8° | 179.7° |
| N3 | C7 | C8 | H30 | 179.1° | 180.0° |
| N3 | C7 | N2 | H31 | 30.4° | 18.0° |
| C | C1 | N | C2 | 65.9° | 170.0° |
| C | C1 | N | H1 | 120.7° | 120.0° |
| C | C1 | N | H2 | 120.7° | 120.0° |
| C | C1 | N | C5 | 170.8° | 65.7° |
| C | C1 | H1 | H2 | 117.8° | 120.0° |
| C1 | C | H22 | H23 | 120.0° | 120.0° |
| C1 | C | H22 | H24 | 120.0° | 119.9° |
| C1 | C | H23 | H24 | 120.0° | 119.9° |
| C3 | C2 | N | H3 | 120.3° | 119.9° |
| C3 | C2 | N | H4 | 120.3° | 119.9° |
| C2 | C3 | N1 | H5 | 120.0° | 119.7° |
| C2 | C3 | N1 | H6 | 120.0° | 119.7° |
| C3 | C2 | N | C1 | 129.8° | 172.8° |
| C3 | C2 | N | C5 | 6.7° | 63.1° |
| C2 | C3 | N1 | C6 | 150.2° | 128.9° |
| C2 | C3 | N1 | C4 | 64.5° | 51.2° |
| C3 | C2 | H3 | H4 | 119.2° | 120.0° |
| C2 | C3 | H5 | H6 | 120.1° | 120.5° |
| N | C2 | C3 | N1 | 53.9° | 53.8° |
| C2 | N | C1 | C5 | 123.3° | 124.3° |
| C2 | N | C5 | C4 | 57.3° | 63.1° |
| C2 | N | C1 | H1 | 54.8° | 70.0° |
| C2 | N | C1 | H2 | 173.3° | 50.0° |
| N | C2 | H3 | H4 | 119.1° | 120.1° |
| N | C2 | C3 | H5 | 173.9° | 65.9° |
| N | C2 | C3 | H6 | 66.1° | 173.5° |
| C2 | N | C5 | H28 | 63.1° | 56.8° |
| C2 | N | C5 | H29 | 177.6° | 176.9° |
| C10 | C9 | C8 | C7 | 0.9° | 0.1° |
| C10 | C9 | C8 | C12 | 178.9° | 179.9° |
| C10 | C9 | C12 | C23 | 15.2° | 50.3° |
| C10 | C9 | C12 | C13 | 166.0° | 130.0° |
| C9 | C10 | C11 | H7 | 179.9° | 179.7° |
| C10 | C9 | C8 | H30 | 179.1° | 180.0° |
| C3 | N1 | C6 | N2 | 7.5° | 175.0° |
| C3 | N1 | C6 | C4 | 142.6° | 179.9° |
| C3 | N1 | C6 | O | 172.9° | 4.9° |
| C3 | N1 | C4 | C5 | 13.6° | 51.2° |
| N1 | C3 | C2 | H3 | 174.2° | 66.1° |
| N1 | C3 | C2 | H4 | 66.4° | 173.8° |
| N1 | C3 | H5 | H6 | 120.1° | 120.5° |
| C3 | N1 | C4 | H26 | 133.8° | 170.9° |
| C3 | N1 | C4 | H27 | 106.6° | 68.6° |
| C7 | N2 | C6 | H31 | 180.0° | 180.0° |
| N2 | C7 | C8 | C9 | 177.1° | 180.0° |
| C7 | N2 | C6 | N1 | 179.3° | 174.2° |
| C7 | N2 | C6 | O | 1.0° | 5.7° |
| N2 | C7 | C8 | H30 | 2.9° | 0.0° |
| C8 | C7 | N2 | C6 | 28.6° | 18.0° |
| C7 | C8 | C9 | H30 | 180.0° | 179.9° |
| C7 | C8 | C9 | C12 | 178.0° | 180.0° |
| C8 | C7 | N2 | H31 | 151.4° | 162.0° |
| N2 | C6 | N1 | O | 179.7° | 179.9° |
| N2 | C6 | N1 | C4 | 150.1° | 5.1° |
| C1 | N | C5 | C4 | 179.6° | 172.7° |
| N | C1 | H1 | H2 | 117.8° | 120.0° |
| C1 | N | C2 | H3 | 9.5° | 67.3° |
| C1 | N | C2 | H4 | 109.9° | 52.8° |
| N | C1 | C | H22 | 180.0° | 60.0° |
| N | C1 | C | H23 | 60.0° | 60.0° |
| N | C1 | C | H24 | 60.0° | 180.0° |
| C1 | N | C5 | H28 | 60.1° | 67.3° |
| C1 | N | C5 | H29 | 59.2° | 52.8° |
| C21 | C22 | C23 | H20 | 180.0° | 180.0° |
| C22 | C21 | N5 | H19 | 180.0° | 179.9° |
| C21 | C22 | C23 | C12 | 179.6° | 179.9° |
| C21 | C22 | C23 | C19 | 0.0° | 0.0° |
| C22 | C21 | N5 | C20 | 0.1° | 0.1° |
| C22 | C23 | C12 | C9 | 0.7° | 0.4° |
| C23 | C22 | C21 | N5 | 0.1° | 0.1° |
| C22 | C23 | C12 | C19 | 179.6° | 179.9° |
| C22 | C23 | C12 | C13 | 179.7° | 179.9° |
| C22 | C23 | C19 | C20 | 0.2° | 0.0° |
| C22 | C23 | C19 | N4 | 179.6° | 180.0° |
| C23 | C22 | C21 | H19 | 179.9° | 180.0° |
| N | C5 | C4 | N1 | 47.0° | 53.8° |
| N | C5 | C4 | H28 | 120.3° | 120.0° |
| N | C5 | C4 | H29 | 120.3° | 120.0° |
| C5 | N | C1 | H1 | 68.5° | 54.3° |
| C5 | N | C1 | H2 | 50.1° | 174.3° |
| C5 | N | C2 | H3 | 113.6° | 56.8° |
| C5 | N | C2 | H4 | 126.9° | 177.0° |
| N | C5 | C4 | H26 | 73.2° | 173.5° |
| N | C5 | C4 | H27 | 167.3° | 66.1° |
| N | C5 | H28 | H29 | 119.0° | 120.1° |
| C8 | C9 | C12 | C23 | 165.9° | 129.6° |
| C8 | C9 | C12 | C13 | 13.0° | 50.0° |
| C8 | C9 | C10 | H25 | 179.6° | 179.9° |
| C9 | C12 | C23 | C13 | 179.0° | 179.7° |
| C9 | C12 | C23 | C19 | 178.9° | 179.7° |
| C9 | C12 | C13 | N4 | 178.9° | 179.7° |
| C9 | C12 | C13 | H8 | 1.1° | 0.3° |
| C12 | C9 | C10 | H25 | 1.5° | 0.0° |
| C12 | C9 | C8 | H30 | 2.0° | 0.1° |
| C21 | N5 | C20 | C19 | 0.0° | 0.1° |
| C21 | N5 | C20 | H18 | 180.0° | 180.0° |
| N5 | C21 | C22 | H20 | 179.9° | 179.9° |
| C6 | N1 | C4 | C5 | 159.9° | 128.9° |
| C6 | N1 | C3 | H5 | 30.3° | 111.5° |
| C6 | N1 | C3 | H6 | 89.8° | 9.1° |
| C6 | N1 | C4 | H26 | 79.9° | 9.2° |
| C6 | N1 | C4 | H27 | 39.6° | 111.4° |
| N1 | C6 | N2 | H31 | 0.7° | 5.8° |
| C4 | N1 | C6 | O | 30.2° | 175.0° |
| N1 | C4 | C5 | H26 | 120.2° | 119.7° |
| N1 | C4 | C5 | H27 | 120.2° | 119.9° |
| C4 | N1 | C3 | H5 | 175.6° | 68.5° |
| C4 | N1 | C3 | H6 | 55.5° | 170.9° |
| N1 | C4 | H26 | H27 | 119.2° | 120.6° |
| N1 | C4 | C5 | H28 | 73.3° | 66.1° |
| N1 | C4 | C5 | H29 | 167.4° | 173.8° |
| O | C6 | N2 | H31 | 179.0° | 174.2° |
| C5 | C4 | H26 | H27 | 119.3° | 120.4° |
| C4 | C5 | H28 | H29 | 119.0° | 120.1° |
| C12 | C23 | C19 | C20 | 179.8° | 179.9° |
| C12 | C23 | C19 | N4 | 0.0° | 0.0° |
| C23 | C12 | C13 | N4 | 0.2° | 0.0° |
| C23 | C12 | C13 | H8 | 179.8° | 180.0° |
| C12 | C23 | C22 | H20 | 0.4° | 0.1° |
| C19 | C23 | C12 | C13 | 0.1° | 0.0° |
| C23 | C19 | C20 | N5 | 0.2° | 0.0° |
| C23 | C19 | C20 | N4 | 179.7° | 179.9° |
| C23 | C19 | N4 | C13 | 0.2° | 0.0° |
| C23 | C19 | N4 | C14 | 178.5° | 180.0° |
| C23 | C19 | C20 | H18 | 179.9° | 180.0° |
| C19 | C23 | C22 | H20 | 180.0° | 180.0° |
| C12 | C13 | N4 | C19 | 0.2° | 0.0° |
| C12 | C13 | N4 | H8 | 180.0° | 180.0° |
| C12 | C13 | N4 | C14 | 178.4° | 180.0° |
| N5 | C20 | C19 | H18 | 180.0° | 180.0° |
| N5 | C20 | C19 | N4 | 179.5° | 179.9° |
| C20 | N5 | C21 | H19 | 179.8° | 180.0° |
| C20 | C19 | N4 | C13 | 179.9° | 179.9° |
| C20 | C19 | N4 | C14 | 1.3° | 0.1° |
| C19 | N4 | C13 | C14 | 178.7° | 180.0° |
| C19 | N4 | C14 | C18 | 169.2° | 120.0° |
| C19 | N4 | C14 | C15 | 66.9° | 120.4° |
| C19 | N4 | C13 | H8 | 179.8° | 180.0° |
| C19 | N4 | C14 | H9 | 51.2° | 0.2° |
| N4 | C19 | C20 | H18 | 0.4° | 0.0° |
| C13 | N4 | C14 | C18 | 9.3° | 60.0° |
| C13 | N4 | C14 | C15 | 114.7° | 59.5° |
| C13 | N4 | C14 | H9 | 127.2° | 179.8° |
| N4 | C14 | C18 | C15 | 124.2° | 119.9° |
| N4 | C14 | C18 | H9 | 118.4° | 120.3° |
| N4 | C14 | C15 | H9 | 118.5° | 120.3° |
| N4 | C14 | C18 | C17 | 179.4° | 176.8° |
| N4 | C14 | C15 | C16 | 178.9° | 176.8° |
| C14 | N4 | C13 | H8 | 1.5° | 0.0° |
| N4 | C14 | C15 | H10 | 61.6° | 56.9° |
| N4 | C14 | C15 | H11 | 59.4° | 63.3° |
| N4 | C14 | C18 | H16 | 59.7° | 63.2° |
| N4 | C14 | C18 | H17 | 60.9° | 57.0° |
| C18 | C14 | C15 | H9 | 117.4° | 119.9° |
| C14 | C18 | C17 | H16 | 119.7° | 119.9° |
| C14 | C18 | C17 | H17 | 119.7° | 119.9° |
| C18 | C14 | C15 | C16 | 57.0° | 57.0° |
| C14 | C18 | C17 | O1 | 58.3° | 57.6° |
| C18 | C14 | C15 | H10 | 62.5° | 62.9° |
| C18 | C14 | C15 | H11 | 176.6° | 176.9° |
| C14 | C18 | C17 | H14 | 61.9° | 177.6° |
| C14 | C18 | C17 | H15 | 178.6° | 62.4° |
| C14 | C18 | H16 | H17 | 120.9° | 120.1° |
| C15 | C14 | C18 | C17 | 56.3° | 57.0° |
| C14 | C15 | C16 | H10 | 119.5° | 119.9° |
| C14 | C15 | C16 | H11 | 119.6° | 119.9° |
| C14 | C15 | C16 | O1 | 60.3° | 57.6° |
| C14 | C15 | H10 | H11 | 121.3° | 120.2° |
| C14 | C15 | C16 | H12 | 179.5° | 62.4° |
| C14 | C15 | C16 | H13 | 59.9° | 177.6° |
| C15 | C14 | C18 | H16 | 176.0° | 176.9° |
| C15 | C14 | C18 | H17 | 63.3° | 62.9° |
| C18 | C17 | O1 | H14 | 120.3° | 119.9° |
| C18 | C17 | O1 | H15 | 120.3° | 120.0° |
| C18 | C17 | O1 | C16 | 62.9° | 61.2° |
| C17 | C18 | C14 | H9 | 61.1° | 62.9° |
| C18 | C17 | H14 | H15 | 119.3° | 120.0° |
| C17 | C18 | H16 | H17 | 120.8° | 120.2° |
| C15 | C16 | O1 | C17 | 64.2° | 61.2° |
| C15 | C16 | O1 | H12 | 120.2° | 120.0° |
| C15 | C16 | O1 | H13 | 120.2° | 120.0° |
| C16 | C15 | C14 | H9 | 60.4° | 62.9° |
| C16 | C15 | H10 | H11 | 121.3° | 120.1° |
| C15 | C16 | H12 | H13 | 119.3° | 120.0° |
| C17 | O1 | C16 | H12 | 175.6° | 58.8° |
| C17 | O1 | C16 | H13 | 56.1° | 178.8° |
| O1 | C17 | H14 | H15 | 119.2° | 120.1° |
| O1 | C17 | C18 | H16 | 178.1° | 177.5° |
| O1 | C17 | C18 | H17 | 61.4° | 62.2° |
| O1 | C16 | C15 | H10 | 59.2° | 62.3° |
| O1 | C16 | C15 | H11 | 179.9° | 177.5° |
| O1 | C16 | H12 | H13 | 119.3° | 120.0° |
| C16 | O1 | C17 | H14 | 57.4° | 178.9° |
| C16 | O1 | C17 | H15 | 176.9° | 58.8° |
| H1 | C1 | C | H22 | 59.3° | 180.0° |
| H1 | C1 | C | H23 | 60.7° | 60.0° |
| H1 | C1 | C | H24 | 179.3° | 60.0° |
| H2 | C1 | C | H22 | 59.3° | 59.9° |
| H2 | C1 | C | H23 | 179.3° | 180.0° |
| H2 | C1 | C | H24 | 60.7° | 60.0° |
| H3 | C2 | C3 | H5 | 65.9° | 174.2° |
| H3 | C2 | C3 | H6 | 54.2° | 53.6° |
| H4 | C2 | C3 | H5 | 53.6° | 54.1° |
| H4 | C2 | C3 | H6 | 173.7° | 66.5° |
| H7 | C11 | C10 | H25 | 0.1° | 0.3° |
| H9 | C14 | C15 | H10 | 179.9° | 177.2° |
| H9 | C14 | C15 | H11 | 59.1° | 57.0° |
| H9 | C14 | C18 | H16 | 58.6° | 57.0° |
| H9 | C14 | C18 | H17 | 179.2° | 177.2° |
| H10 | C15 | C16 | H12 | 61.0° | 177.7° |
| H10 | C15 | C16 | H13 | 179.4° | 57.7° |
| H11 | C15 | C16 | H12 | 59.9° | 57.5° |
| H11 | C15 | C16 | H13 | 59.7° | 62.5° |
| H14 | C17 | C18 | H16 | 57.8° | 62.5° |
| H14 | C17 | C18 | H17 | 178.4° | 57.7° |
| H15 | C17 | C18 | H16 | 61.7° | 57.5° |
| H15 | C17 | C18 | H17 | 58.9° | 177.7° |
| H19 | C21 | C22 | H20 | 0.1° | 0.0° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
| H26 | C4 | C5 | H28 | 166.5° | 53.6° |
| H26 | C4 | C5 | H29 | 47.1° | 66.5° |
| H27 | C4 | C5 | H28 | 46.9° | 174.0° |
| H27 | C4 | C5 | H29 | 72.4° | 53.9° |
