QL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | O | sing | 1.43Å | 1.43Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C14 | sing | 1.36Å | 1.37Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| O1 | C19 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C | sing | 1.53Å | 1.56Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C9 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.54Å | |
| C19 | C10 | sing | 1.52Å | 1.54Å | |
| C19 | N1 | sing | 1.35Å | 1.37Å | |
| C9 | C7 | sing | 1.53Å | 1.54Å | |
| C10 | C | sing | 1.53Å | 1.60Å | |
| C10 | N | sing | 1.47Å | 1.48Å | |
| C | C5 | sing | 1.53Å | 1.56Å | |
| C | C8 | sing | 1.53Å | 1.56Å | |
| C20 | N1 | sing | 1.46Å | 1.47Å | |
| N1 | C18 | sing | 1.37Å | 1.38Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| N | C18 | doub | 1.30Å | 1.28Å | |
| C18 | N2 | sing | 1.37Å | 1.34Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | O | C14 | 118.0° | 117.0° |
| O | C17 | H11 | 109.5° | 109.4° |
| O | C17 | H12 | 109.4° | 109.4° |
| O | C17 | H13 | 109.5° | 109.5° |
| C14 | C13 | C12 | 119.7° | 119.9° |
| C13 | C14 | O | 124.7° | 120.0° |
| C13 | C14 | C15 | 119.9° | 119.9° |
| C14 | C13 | H9 | 120.2° | 120.1° |
| C13 | C12 | C11 | 121.2° | 120.0° |
| C12 | C13 | H9 | 120.1° | 120.0° |
| C13 | C12 | H20 | 119.4° | 120.0° |
| O | C14 | C15 | 115.1° | 120.1° |
| C14 | C15 | C16 | 119.8° | 119.9° |
| C14 | C15 | H10 | 120.1° | 120.0° |
| C12 | C11 | C16 | 118.1° | 120.2° |
| C12 | C11 | C10 | 121.2° | 119.9° |
| C11 | C12 | H20 | 119.4° | 120.0° |
| O1 | C19 | C10 | 127.6° | 127.5° |
| O1 | C19 | N1 | 125.7° | 127.4° |
| C2 | C1 | C | 111.4° | 109.5° |
| C1 | C2 | C3 | 109.3° | 109.4° |
| C1 | C2 | C9 | 109.4° | 109.5° |
| C1 | C2 | H25 | 109.4° | 109.5° |
| C2 | C1 | H26 | 109.0° | 109.5° |
| C2 | C1 | H27 | 109.0° | 109.5° |
| C1 | C | C10 | 111.5° | 109.5° |
| C1 | C | C5 | 107.5° | 109.5° |
| C1 | C | C8 | 107.5° | 109.4° |
| C | C1 | H26 | 109.0° | 109.5° |
| C | C1 | H27 | 109.0° | 109.5° |
| C3 | C2 | C9 | 109.6° | 109.5° |
| C2 | C3 | C4 | 109.5° | 109.5° |
| C2 | C3 | H21 | 109.5° | 109.5° |
| C2 | C3 | H22 | 109.5° | 109.5° |
| C3 | C2 | H25 | 109.5° | 109.5° |
| C2 | C9 | C7 | 109.5° | 109.5° |
| C2 | C9 | H23 | 109.4° | 109.5° |
| C2 | C9 | H24 | 109.5° | 109.5° |
| C9 | C2 | H25 | 109.6° | 109.5° |
| C3 | C4 | C5 | 109.3° | 109.5° |
| C3 | C4 | C6 | 109.6° | 109.5° |
| C3 | C4 | H1 | 109.5° | 109.5° |
| C4 | C3 | H21 | 109.5° | 109.5° |
| C4 | C3 | H22 | 109.5° | 109.4° |
| C15 | C16 | C11 | 121.3° | 120.0° |
| C16 | C15 | H10 | 120.1° | 120.0° |
| C15 | C16 | H19 | 119.4° | 120.0° |
| C16 | C11 | C10 | 120.7° | 119.9° |
| C11 | C16 | H19 | 119.3° | 120.0° |
| C11 | C10 | C19 | 111.0° | 111.0° |
| C11 | C10 | C | 113.2° | 110.5° |
| C11 | C10 | N | 108.7° | 110.5° |
| C10 | C19 | N1 | 106.6° | 105.1° |
| C19 | C10 | C | 113.6° | 110.2° |
| C19 | C10 | N | 100.6° | 103.9° |
| C19 | N1 | C20 | 123.9° | 124.7° |
| C19 | N1 | C18 | 109.2° | 110.7° |
| C9 | C7 | C8 | 109.3° | 109.5° |
| C9 | C7 | C6 | 109.6° | 109.5° |
| C9 | C7 | H6 | 109.6° | 109.4° |
| C7 | C9 | H23 | 109.5° | 109.5° |
| C7 | C9 | H24 | 109.5° | 109.5° |
| C | C10 | N | 108.8° | 110.5° |
| C10 | C | C5 | 110.8° | 109.5° |
| C10 | C | C8 | 111.9° | 109.5° |
| C10 | N | C18 | 110.8° | 107.5° |
| C5 | C | C8 | 107.5° | 109.5° |
| C | C5 | C4 | 111.5° | 109.4° |
| C | C5 | H2 | 109.0° | 109.5° |
| C | C5 | H3 | 108.9° | 109.4° |
| C | C8 | C7 | 111.5° | 109.5° |
| C | C8 | H7 | 109.0° | 109.5° |
| C | C8 | H8 | 109.0° | 109.5° |
| C20 | N1 | C18 | 126.9° | 124.6° |
| N1 | C20 | H14 | 109.5° | 109.5° |
| N1 | C20 | H15 | 109.5° | 109.5° |
| N1 | C20 | H16 | 109.4° | 109.5° |
| N1 | C18 | N | 112.8° | 112.8° |
| N1 | C18 | N2 | 122.5° | 123.6° |
| C5 | C4 | C6 | 109.4° | 109.5° |
| C5 | C4 | H1 | 109.4° | 109.5° |
| C4 | C5 | H2 | 108.9° | 109.5° |
| C4 | C5 | H3 | 109.0° | 109.5° |
| C4 | C6 | C7 | 109.6° | 109.5° |
| C6 | C4 | H1 | 109.5° | 109.5° |
| C4 | C6 | H4 | 109.5° | 109.5° |
| C4 | C6 | H5 | 109.4° | 109.5° |
| C8 | C7 | C6 | 109.4° | 109.5° |
| C8 | C7 | H6 | 109.4° | 109.5° |
| C7 | C8 | H7 | 109.0° | 109.5° |
| C7 | C8 | H8 | 109.0° | 109.5° |
| C7 | C6 | H4 | 109.4° | 109.5° |
| C7 | C6 | H5 | 109.5° | 109.4° |
| C6 | C7 | H6 | 109.5° | 109.5° |
| N | C18 | N2 | 124.8° | 123.6° |
| C18 | N2 | H17 | 120.0° | 120.0° |
| C18 | N2 | H18 | 120.0° | 120.0° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H11 | C17 | H13 | 109.4° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.4° | 109.5° |
| H14 | C20 | H16 | 109.5° | 109.4° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | N2 | H18 | 120.0° | 120.0° |
| H21 | C3 | H22 | 109.4° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
| H26 | C1 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | O | C14 | C13 | 3.0° | 180.0° |
| C17 | O | C14 | C15 | 170.5° | 0.1° |
| O | C17 | H11 | H12 | 120.0° | 119.9° |
| O | C17 | H11 | H13 | 120.0° | 120.1° |
| O | C17 | H12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C12 | H9 | 180.0° | 179.7° |
| C13 | C14 | O | C15 | 173.5° | 180.0° |
| C14 | C13 | C12 | C11 | 0.0° | 0.0° |
| C13 | C14 | C15 | C16 | 2.5° | 0.0° |
| C13 | C14 | C15 | H10 | 177.5° | 179.9° |
| C14 | C13 | C12 | H20 | 180.0° | 180.0° |
| C12 | C13 | C14 | O | 170.8° | 180.0° |
| C12 | C13 | C14 | C15 | 2.4° | 0.0° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 2.3° | 0.1° |
| C13 | C12 | C11 | C10 | 174.4° | 180.0° |
| O | C14 | C15 | C16 | 171.4° | 180.0° |
| O | C14 | C13 | H9 | 9.2° | 0.2° |
| O | C14 | C15 | H10 | 8.6° | 0.1° |
| C14 | O | C17 | H11 | 180.0° | 180.0° |
| C14 | O | C17 | H12 | 60.0° | 60.1° |
| C14 | O | C17 | H13 | 60.0° | 59.9° |
| C14 | C15 | C16 | H10 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C15 | C14 | C13 | H9 | 177.6° | 179.7° |
| C14 | C15 | C16 | H19 | 179.9° | 180.0° |
| C12 | C11 | C16 | C15 | 2.3° | 0.1° |
| C12 | C11 | C16 | C10 | 176.7° | 179.9° |
| C12 | C11 | C10 | C19 | 32.0° | 140.7° |
| C12 | C11 | C10 | C | 97.1° | 96.7° |
| C12 | C11 | C10 | N | 141.8° | 25.9° |
| C11 | C12 | C13 | H9 | 180.0° | 179.8° |
| C12 | C11 | C16 | H19 | 177.7° | 180.0° |
| O1 | C19 | C10 | C11 | 68.3° | 61.4° |
| O1 | C19 | C10 | N1 | 178.6° | 180.0° |
| O1 | C19 | C10 | C | 60.7° | 61.3° |
| O1 | C19 | C10 | N | 176.7° | 179.8° |
| O1 | C19 | N1 | C20 | 1.8° | 0.3° |
| O1 | C19 | N1 | C18 | 176.5° | 180.0° |
| C2 | C1 | C | H26 | 120.3° | 120.1° |
| C2 | C1 | C | H27 | 120.3° | 120.0° |
| C1 | C2 | C3 | C9 | 119.9° | 120.0° |
| C1 | C2 | C3 | H25 | 119.9° | 120.0° |
| C1 | C2 | C9 | H25 | 119.9° | 120.0° |
| C1 | C2 | C3 | C4 | 60.1° | 60.0° |
| C1 | C2 | C9 | C7 | 60.1° | 60.0° |
| C2 | C1 | C | C10 | 179.4° | 180.0° |
| C2 | C1 | C | C5 | 57.8° | 60.0° |
| C2 | C1 | C | C8 | 57.6° | 60.0° |
| C1 | C2 | C3 | H21 | 59.9° | 180.0° |
| C1 | C2 | C3 | H22 | 179.9° | 60.0° |
| C1 | C2 | C9 | H23 | 179.9° | 60.0° |
| C1 | C2 | C9 | H24 | 60.0° | 180.0° |
| C2 | C1 | H26 | H27 | 119.1° | 120.0° |
| C | C1 | C2 | C3 | 60.1° | 60.0° |
| C | C1 | C2 | C9 | 59.9° | 60.0° |
| C1 | C | C10 | C11 | 48.0° | 56.9° |
| C1 | C | C10 | C19 | 79.9° | 66.1° |
| C1 | C | C10 | C5 | 119.6° | 120.0° |
| C1 | C | C10 | C8 | 120.4° | 120.0° |
| C1 | C | C10 | N | 169.0° | 179.5° |
| C1 | C | C5 | C8 | 115.4° | 120.0° |
| C1 | C | C5 | C4 | 57.8° | 60.0° |
| C1 | C | C8 | C7 | 57.8° | 60.0° |
| C1 | C | C5 | H2 | 178.1° | 60.0° |
| C1 | C | C5 | H3 | 62.5° | 180.0° |
| C1 | C | C8 | H7 | 62.5° | 180.0° |
| C1 | C | C8 | H8 | 178.1° | 60.0° |
| C | C1 | C2 | H25 | 179.9° | 180.0° |
| C | C1 | H26 | H27 | 119.1° | 120.0° |
| C3 | C2 | C9 | H25 | 120.2° | 120.0° |
| C2 | C3 | C4 | H21 | 120.0° | 120.0° |
| C2 | C3 | C4 | H22 | 120.0° | 120.0° |
| C3 | C2 | C9 | C7 | 59.8° | 60.0° |
| C2 | C3 | C4 | C5 | 60.1° | 60.0° |
| C2 | C3 | C4 | C6 | 59.8° | 60.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | H21 | H22 | 120.0° | 120.0° |
| C3 | C2 | C9 | H23 | 60.2° | 180.0° |
| C3 | C2 | C9 | H24 | 179.8° | 60.0° |
| C3 | C2 | C1 | H26 | 179.6° | 60.0° |
| C3 | C2 | C1 | H27 | 60.1° | 180.0° |
| C9 | C2 | C3 | C4 | 59.8° | 60.0° |
| C2 | C9 | C7 | H23 | 120.0° | 120.0° |
| C2 | C9 | C7 | H24 | 120.0° | 120.0° |
| C2 | C9 | C7 | C8 | 60.1° | 60.0° |
| C2 | C9 | C7 | C6 | 59.7° | 60.0° |
| C2 | C9 | C7 | H6 | 180.0° | 180.0° |
| C9 | C2 | C3 | H21 | 179.8° | 60.0° |
| C9 | C2 | C3 | H22 | 60.3° | 180.0° |
| C2 | C9 | H23 | H24 | 120.0° | 120.0° |
| C9 | C2 | C1 | H26 | 60.4° | 180.0° |
| C9 | C2 | C1 | H27 | 179.8° | 60.0° |
| C3 | C4 | C5 | C | 60.0° | 60.0° |
| C3 | C4 | C5 | C6 | 120.0° | 120.0° |
| C3 | C4 | C5 | H1 | 120.0° | 120.0° |
| C3 | C4 | C6 | H1 | 120.2° | 120.0° |
| C3 | C4 | C6 | C7 | 59.8° | 60.0° |
| C3 | C4 | C5 | H2 | 179.6° | 60.0° |
| C3 | C4 | C5 | H3 | 60.3° | 180.0° |
| C3 | C4 | C6 | H4 | 179.8° | 180.0° |
| C3 | C4 | C6 | H5 | 60.2° | 60.0° |
| C4 | C3 | H21 | H22 | 120.0° | 120.0° |
| C4 | C3 | C2 | H25 | 180.0° | 180.0° |
| C15 | C16 | C11 | H19 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 174.4° | 180.0° |
| C16 | C11 | C10 | C19 | 151.4° | 39.4° |
| C16 | C11 | C10 | C | 79.5° | 83.2° |
| C16 | C11 | C10 | N | 41.5° | 154.2° |
| C11 | C16 | C15 | H10 | 179.9° | 179.9° |
| C16 | C11 | C12 | H20 | 177.6° | 179.9° |
| C11 | C10 | C19 | C | 129.0° | 122.7° |
| C11 | C10 | C19 | N | 115.0° | 118.8° |
| C11 | C10 | C19 | N1 | 113.1° | 118.6° |
| C11 | C10 | C | N | 121.0° | 122.6° |
| C11 | C10 | C | C5 | 167.6° | 176.9° |
| C11 | C10 | C | C8 | 72.4° | 63.1° |
| C11 | C10 | N | C18 | 115.7° | 118.7° |
| C10 | C11 | C16 | H19 | 5.5° | 0.0° |
| C10 | C11 | C12 | H20 | 5.7° | 0.0° |
| C19 | C10 | C | N | 111.2° | 114.3° |
| C19 | C10 | C | C5 | 39.8° | 53.9° |
| C19 | C10 | C | C8 | 159.7° | 173.9° |
| C10 | C19 | N1 | C20 | 179.5° | 179.7° |
| C10 | C19 | N1 | C18 | 2.2° | 0.0° |
| C19 | C10 | N | C18 | 1.0° | 0.4° |
| N1 | C19 | C10 | C | 118.0° | 118.7° |
| N1 | C19 | C10 | N | 1.9° | 0.2° |
| C19 | N1 | C20 | C18 | 178.0° | 179.6° |
| C19 | N1 | C18 | N | 1.6° | 0.3° |
| C19 | N1 | C18 | N2 | 177.6° | 179.8° |
| C19 | N1 | C20 | H14 | 180.0° | 179.7° |
| C19 | N1 | C20 | H15 | 60.0° | 59.7° |
| C19 | N1 | C20 | H16 | 60.0° | 60.3° |
| C9 | C7 | C8 | C | 60.1° | 60.0° |
| C9 | C7 | C6 | C4 | 59.8° | 60.0° |
| C9 | C7 | C8 | C6 | 120.0° | 120.0° |
| C9 | C7 | C8 | H6 | 120.0° | 120.0° |
| C9 | C7 | C6 | H6 | 120.2° | 120.0° |
| C9 | C7 | C6 | H4 | 179.8° | 180.0° |
| C9 | C7 | C6 | H5 | 60.2° | 60.0° |
| C9 | C7 | C8 | H7 | 60.2° | 179.9° |
| C9 | C7 | C8 | H8 | 179.6° | 60.0° |
| C7 | C9 | H23 | H24 | 120.0° | 120.0° |
| C7 | C9 | C2 | H25 | 180.0° | 180.0° |
| C10 | C | C5 | C8 | 122.6° | 120.0° |
| C10 | C | C5 | C4 | 179.8° | 180.0° |
| C10 | C | C8 | C7 | 179.5° | 180.0° |
| C | C10 | N | C18 | 120.6° | 118.7° |
| C10 | C | C5 | H2 | 59.9° | 60.0° |
| C10 | C | C5 | H3 | 59.5° | 60.0° |
| C10 | C | C8 | H7 | 60.2° | 60.0° |
| C10 | C | C8 | H8 | 59.2° | 60.0° |
| C10 | C | C1 | H26 | 60.4° | 60.0° |
| C10 | C | C1 | H27 | 59.1° | 60.0° |
| N | C10 | C | C5 | 71.4° | 60.5° |
| N | C10 | C | C8 | 48.6° | 59.6° |
| C10 | N | C18 | N1 | 0.3° | 0.5° |
| C10 | N | C18 | N2 | 178.9° | 179.7° |
| C | C5 | C4 | H2 | 120.3° | 120.0° |
| C | C5 | C4 | H3 | 120.3° | 120.0° |
| C | C5 | C4 | C6 | 60.0° | 60.0° |
| C5 | C | C8 | C7 | 57.6° | 60.0° |
| C | C5 | C4 | H1 | 180.0° | 180.0° |
| C | C5 | H2 | H3 | 119.1° | 120.0° |
| C5 | C | C8 | H7 | 177.9° | 60.0° |
| C5 | C | C8 | H8 | 62.7° | 180.0° |
| C5 | C | C1 | H26 | 178.0° | 60.0° |
| C5 | C | C1 | H27 | 62.5° | 180.0° |
| C8 | C | C5 | C4 | 57.7° | 60.0° |
| C | C8 | C7 | H7 | 120.3° | 120.0° |
| C | C8 | C7 | H8 | 120.3° | 120.0° |
| C | C8 | C7 | C6 | 59.9° | 60.0° |
| C8 | C | C5 | H2 | 62.6° | 180.0° |
| C8 | C | C5 | H3 | 178.0° | 60.0° |
| C | C8 | C7 | H6 | 179.9° | 180.0° |
| C | C8 | H7 | H8 | 119.1° | 120.0° |
| C8 | C | C1 | H26 | 62.6° | 180.0° |
| C8 | C | C1 | H27 | 177.9° | 60.0° |
| C20 | N1 | C18 | N | 179.9° | 180.0° |
| C20 | N1 | C18 | N2 | 0.7° | 0.1° |
| N1 | C20 | H14 | H15 | 120.0° | 120.0° |
| N1 | C20 | H14 | H16 | 120.0° | 120.0° |
| N1 | C20 | H15 | H16 | 120.0° | 120.0° |
| N1 | C18 | N | N2 | 179.2° | 179.9° |
| C18 | N1 | C20 | H14 | 2.0° | 0.1° |
| C18 | N1 | C20 | H15 | 122.0° | 119.9° |
| C18 | N1 | C20 | H16 | 118.0° | 120.0° |
| N1 | C18 | N2 | H17 | 179.1° | 0.1° |
| N1 | C18 | N2 | H18 | 0.9° | 179.9° |
| C5 | C4 | C6 | H1 | 119.9° | 120.0° |
| C5 | C4 | C6 | C7 | 60.1° | 60.0° |
| C4 | C5 | H2 | H3 | 119.1° | 120.0° |
| C5 | C4 | C6 | H4 | 60.0° | 60.0° |
| C5 | C4 | C6 | H5 | 179.9° | 180.0° |
| C5 | C4 | C3 | H21 | 59.9° | 180.0° |
| C5 | C4 | C3 | H22 | 179.9° | 60.0° |
| C4 | C6 | C7 | C8 | 60.0° | 60.0° |
| C4 | C6 | C7 | H4 | 120.0° | 120.0° |
| C4 | C6 | C7 | H5 | 120.0° | 120.0° |
| C6 | C4 | C5 | H2 | 60.3° | 180.0° |
| C6 | C4 | C5 | H3 | 179.7° | 60.0° |
| C4 | C6 | H4 | H5 | 119.9° | 120.0° |
| C4 | C6 | C7 | H6 | 180.0° | 180.0° |
| C6 | C4 | C3 | H21 | 179.8° | 60.0° |
| C6 | C4 | C3 | H22 | 60.2° | 180.0° |
| C8 | C7 | C6 | H6 | 119.9° | 120.0° |
| C8 | C7 | C6 | H4 | 60.0° | 60.0° |
| C8 | C7 | C6 | H5 | 180.0° | 180.0° |
| C7 | C8 | H7 | H8 | 119.1° | 120.0° |
| C8 | C7 | C9 | H23 | 179.9° | 60.0° |
| C8 | C7 | C9 | H24 | 59.9° | 180.0° |
| C7 | C6 | C4 | H1 | 180.0° | 180.0° |
| C7 | C6 | H4 | H5 | 120.0° | 120.0° |
| C6 | C7 | C8 | H7 | 179.8° | 60.1° |
| C6 | C7 | C8 | H8 | 60.4° | 180.0° |
| C6 | C7 | C9 | H23 | 60.2° | 180.0° |
| C6 | C7 | C9 | H24 | 179.8° | 60.0° |
| N | C18 | N2 | H17 | 0.0° | 179.9° |
| N | C18 | N2 | H18 | 180.0° | 0.1° |
| C18 | N2 | H17 | H18 | 179.9° | 180.0° |
| H1 | C4 | C5 | H2 | 59.7° | 60.0° |
| H1 | C4 | C5 | H3 | 59.7° | 60.0° |
| H1 | C4 | C6 | H4 | 60.0° | 60.0° |
| H1 | C4 | C6 | H5 | 60.0° | 60.0° |
| H1 | C4 | C3 | H21 | 60.0° | 60.0° |
| H1 | C4 | C3 | H22 | 60.0° | 60.0° |
| H4 | C6 | C7 | H6 | 59.9° | 60.0° |
| H5 | C6 | C7 | H6 | 60.0° | 60.0° |
| H6 | C7 | C8 | H7 | 59.7° | 60.0° |
| H6 | C7 | C8 | H8 | 59.6° | 60.0° |
| H6 | C7 | C9 | H23 | 60.0° | 60.0° |
| H6 | C7 | C9 | H24 | 60.0° | 60.0° |
| H9 | C13 | C12 | H20 | 0.1° | 0.2° |
| H10 | C15 | C16 | H19 | 0.1° | 0.1° |
| H11 | C17 | H12 | H13 | 120.0° | 120.1° |
| H14 | C20 | H15 | H16 | 120.0° | 120.0° |
| H21 | C3 | C2 | H25 | 60.0° | 60.0° |
| H22 | C3 | C2 | H25 | 60.0° | 60.0° |
| H23 | C9 | C2 | H25 | 60.0° | 60.0° |
| H24 | C9 | C2 | H25 | 60.0° | 60.0° |
| H25 | C2 | C1 | H26 | 59.6° | 60.0° |
| H25 | C2 | C1 | H27 | 59.8° | 60.0° |
