117
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C12 | C10 | sing | 1.48Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C83 | C82 | doub | 1.38Å | 1.41Å | Aromatic |
| C83 | C84 | sing | 1.38Å | 1.42Å | Aromatic |
| C83 | H83 | sing | 1.08Å | 1.10Å | |
| C82 | C81 | sing | 1.40Å | 1.41Å | Aromatic |
| C82 | H82 | sing | 1.08Å | 1.10Å | |
| C81 | C86 | doub | 1.40Å | 1.41Å | Aromatic |
| C81 | C8 | sing | 1.48Å | 1.41Å | Aromatic |
| C86 | C85 | sing | 1.38Å | 1.38Å | Aromatic |
| C86 | H86 | sing | 1.08Å | 1.10Å | |
| C85 | C84 | doub | 1.39Å | 1.38Å | Aromatic |
| C85 | H85 | sing | 1.08Å | 1.10Å | |
| C84 | F1 | sing | 1.35Å | 1.36Å | |
| C8 | N1 | sing | 1.37Å | 1.43Å | Aromatic |
| C8 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | N2 | sing | 1.40Å | 1.28Å | |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| O1B | C1 | sing | 1.34Å | 1.22Å | |
| O1B | H1B | sing | 0.97Å | 0.95Å | |
| O1A | C1 | doub | 1.21Å | 1.33Å | |
| O3 | C3 | sing | 1.43Å | 1.41Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21A | sing | 1.09Å | 1.11Å | |
| C2 | H22A | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | O5 | sing | 1.43Å | 1.41Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | N1 | sing | 1.46Å | 1.52Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| N1 | C9 | sing | 1.35Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.47Å | 1.43Å | Aromatic |
| C11 | C18 | sing | 1.47Å | 1.53Å | |
| C11 | C9 | doub | 1.37Å | 1.41Å | Aromatic |
| C18 | N2 | sing | 1.35Å | 1.44Å | |
| C18 | O18 | doub | 1.22Å | 1.24Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C9 | C91 | sing | 1.51Å | 1.57Å | |
| C91 | C93 | sing | 1.53Å | 1.54Å | |
| C91 | C92 | sing | 1.53Å | 1.56Å | |
| C91 | H91 | sing | 1.09Å | 1.12Å | |
| C93 | H931 | sing | 1.09Å | 1.12Å | |
| C93 | H932 | sing | 1.09Å | 1.11Å | |
| C93 | H933 | sing | 1.09Å | 1.11Å | |
| C92 | H921 | sing | 1.09Å | 1.12Å | |
| C92 | H922 | sing | 1.09Å | 1.11Å | |
| C92 | H923 | sing | 1.09Å | 1.12Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C17 | C16 | 121.2° | 119.9° |
| C12 | C17 | H17 | 119.6° | 120.0° |
| C17 | C12 | C13 | 117.5° | 119.7° |
| C17 | C12 | C10 | 121.8° | 120.1° |
| C16 | C17 | H17 | 119.1° | 120.1° |
| C17 | C16 | C15 | 120.4° | 120.2° |
| C17 | C16 | H16 | 119.7° | 120.0° |
| C13 | C12 | C10 | 120.7° | 120.2° |
| C12 | C13 | C14 | 121.3° | 120.0° |
| C12 | C13 | H13 | 119.6° | 120.0° |
| C12 | C10 | C8 | 124.4° | 127.1° |
| C12 | C10 | C11 | 130.1° | 127.1° |
| C14 | C13 | H13 | 119.1° | 120.0° |
| C13 | C14 | C15 | 119.8° | 120.1° |
| C13 | C14 | H14 | 120.7° | 120.0° |
| C15 | C14 | H14 | 119.5° | 119.9° |
| C14 | C15 | C16 | 119.8° | 120.3° |
| C14 | C15 | H15 | 119.8° | 119.8° |
| C16 | C15 | H15 | 120.4° | 119.9° |
| C15 | C16 | H16 | 119.9° | 119.9° |
| C82 | C83 | C84 | 120.0° | 120.1° |
| C82 | C83 | H83 | 119.7° | 119.9° |
| C83 | C82 | C81 | 119.7° | 119.9° |
| C83 | C82 | H82 | 119.9° | 120.0° |
| C84 | C83 | H83 | 120.3° | 119.9° |
| C83 | C84 | C85 | 120.4° | 120.3° |
| C83 | C84 | F1 | 120.8° | 119.9° |
| C81 | C82 | H82 | 120.4° | 120.1° |
| C82 | C81 | C86 | 118.4° | 119.7° |
| C82 | C81 | C8 | 124.6° | 120.2° |
| C86 | C81 | C8 | 117.1° | 120.1° |
| C81 | C86 | C85 | 122.2° | 119.9° |
| C81 | C86 | H86 | 120.0° | 120.1° |
| C81 | C8 | N1 | 123.3° | 126.0° |
| C81 | C8 | C10 | 125.7° | 125.9° |
| C85 | C86 | H86 | 117.8° | 120.0° |
| C86 | C85 | C84 | 119.4° | 120.1° |
| C86 | C85 | H85 | 120.3° | 120.0° |
| C84 | C85 | H85 | 120.4° | 119.9° |
| C85 | C84 | F1 | 118.8° | 119.8° |
| N1 | C8 | C10 | 111.0° | 108.1° |
| C8 | N1 | C7 | 128.7° | 124.7° |
| C8 | N1 | C9 | 104.8° | 110.6° |
| C8 | C10 | C11 | 105.5° | 105.9° |
| C20 | C19 | C24 | 118.9° | 119.8° |
| C20 | C19 | N2 | 120.5° | 120.1° |
| C19 | C20 | C21 | 120.3° | 120.0° |
| C19 | C20 | H20 | 120.2° | 120.0° |
| C24 | C19 | N2 | 120.6° | 120.1° |
| C19 | C24 | C23 | 120.6° | 119.9° |
| C19 | C24 | H24 | 120.6° | 120.0° |
| C19 | N2 | C18 | 126.5° | 120.0° |
| C19 | N2 | HN2 | 110.5° | 120.0° |
| C21 | C20 | H20 | 119.5° | 120.1° |
| C20 | C21 | C22 | 120.2° | 120.1° |
| C20 | C21 | H21 | 119.5° | 120.0° |
| C22 | C21 | H21 | 120.2° | 119.9° |
| C21 | C22 | C23 | 120.1° | 120.1° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C23 | C22 | H22 | 119.7° | 119.9° |
| C22 | C23 | C24 | 119.9° | 120.1° |
| C22 | C23 | H23 | 120.2° | 120.0° |
| C24 | C23 | H23 | 119.9° | 119.9° |
| C23 | C24 | H24 | 118.8° | 120.1° |
| C1 | O1B | H1B | 123.9° | 120.0° |
| O1B | C1 | O1A | 123.9° | 120.0° |
| O1B | C1 | C2 | 123.9° | 120.0° |
| O1A | C1 | C2 | 112.2° | 120.0° |
| C3 | O3 | HO3 | 107.7° | 106.8° |
| O3 | C3 | C2 | 107.6° | 109.4° |
| O3 | C3 | C4 | 109.2° | 109.5° |
| O3 | C3 | H3 | 111.5° | 109.6° |
| C1 | C2 | C3 | 111.6° | 109.5° |
| C1 | C2 | H21A | 111.4° | 109.4° |
| C1 | C2 | H22A | 111.4° | 109.5° |
| C3 | C2 | H21A | 111.4° | 109.5° |
| C3 | C2 | H22A | 111.5° | 109.5° |
| C2 | C3 | C4 | 111.3° | 109.4° |
| C2 | C3 | H3 | 109.4° | 109.4° |
| H21A | C2 | H22A | 98.9° | 109.5° |
| C4 | C3 | H3 | 107.9° | 109.4° |
| C3 | C4 | C5 | 113.0° | 109.5° |
| C3 | C4 | H41 | 110.9° | 109.5° |
| C3 | C4 | H42 | 110.9° | 109.5° |
| C5 | C4 | H41 | 110.9° | 109.4° |
| C5 | C4 | H42 | 110.9° | 109.5° |
| C4 | C5 | C6 | 111.0° | 109.5° |
| C4 | C5 | O5 | 106.8° | 109.5° |
| C4 | C5 | H5 | 110.4° | 109.5° |
| H41 | C4 | H42 | 99.4° | 109.5° |
| C6 | C5 | O5 | 109.9° | 109.4° |
| C6 | C5 | H5 | 107.4° | 109.5° |
| C5 | C6 | C7 | 113.0° | 109.5° |
| C5 | C6 | H61 | 110.9° | 109.5° |
| C5 | C6 | H62 | 110.9° | 109.4° |
| O5 | C5 | H5 | 111.5° | 109.4° |
| C5 | O5 | HO5 | 106.9° | 106.8° |
| C7 | C6 | H61 | 110.9° | 109.4° |
| C7 | C6 | H62 | 111.0° | 109.5° |
| C6 | C7 | N1 | 111.6° | 109.5° |
| C6 | C7 | H71 | 111.4° | 109.5° |
| C6 | C7 | H72 | 111.4° | 109.4° |
| H61 | C6 | H62 | 99.4° | 109.5° |
| N1 | C7 | H71 | 111.4° | 109.5° |
| N1 | C7 | H72 | 111.4° | 109.5° |
| C7 | N1 | C9 | 126.6° | 124.7° |
| H71 | C7 | H72 | 99.0° | 109.4° |
| N1 | C9 | C11 | 110.8° | 109.1° |
| N1 | C9 | C91 | 120.3° | 125.4° |
| C10 | C11 | C18 | 130.3° | 126.9° |
| C10 | C11 | C9 | 107.9° | 106.3° |
| C18 | C11 | C9 | 121.8° | 126.8° |
| C11 | C18 | N2 | 120.6° | 120.0° |
| C11 | C18 | O18 | 117.6° | 120.0° |
| C11 | C9 | C91 | 128.9° | 125.4° |
| N2 | C18 | O18 | 121.8° | 120.0° |
| C18 | N2 | HN2 | 123.0° | 120.0° |
| C9 | C91 | C93 | 114.1° | 109.5° |
| C9 | C91 | C92 | 112.5° | 109.5° |
| C9 | C91 | H91 | 103.8° | 109.5° |
| C93 | C91 | C92 | 109.2° | 109.4° |
| C93 | C91 | H91 | 107.5° | 109.4° |
| C91 | C93 | H931 | 114.1° | 109.4° |
| C91 | C93 | H932 | 110.5° | 109.4° |
| C91 | C93 | H933 | 110.5° | 109.5° |
| C92 | C91 | H91 | 109.3° | 109.5° |
| C91 | C92 | H921 | 112.5° | 109.4° |
| C91 | C92 | H922 | 111.1° | 109.5° |
| C91 | C92 | H923 | 111.1° | 109.5° |
| H931 | C93 | H932 | 110.5° | 109.5° |
| H931 | C93 | H933 | 110.5° | 109.5° |
| H932 | C93 | H933 | 99.8° | 109.5° |
| H921 | C92 | H922 | 111.1° | 109.5° |
| H921 | C92 | H923 | 111.1° | 109.5° |
| H922 | C92 | H923 | 99.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C17 | C12 | C13 | C10 | 178.0° | 179.7° |
| C17 | C12 | C13 | C14 | 0.6° | 0.6° |
| C17 | C12 | C13 | H13 | 179.4° | 180.0° |
| C12 | C17 | C16 | C15 | 0.0° | 0.1° |
| C12 | C17 | C16 | H16 | 180.0° | 180.0° |
| C17 | C12 | C10 | C8 | 51.6° | 120.0° |
| C17 | C12 | C10 | C11 | 127.9° | 59.7° |
| C16 | C17 | C12 | C13 | 0.4° | 0.3° |
| C16 | C17 | C12 | C10 | 178.4° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C17 | C16 | C15 | H16 | 180.0° | 180.0° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| H17 | C17 | C12 | C13 | 179.6° | 179.7° |
| H17 | C17 | C12 | C10 | 1.6° | 0.0° |
| H17 | C17 | C16 | C15 | 180.0° | 180.0° |
| H17 | C17 | C16 | H16 | 0.0° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.4° |
| C12 | C13 | C14 | C15 | 0.4° | 0.6° |
| C12 | C13 | C14 | H14 | 179.6° | 179.7° |
| C13 | C12 | C10 | C8 | 126.3° | 60.3° |
| C13 | C12 | C10 | C11 | 54.2° | 120.0° |
| C10 | C12 | C13 | C14 | 178.6° | 179.7° |
| C10 | C12 | C13 | H13 | 1.4° | 0.3° |
| C12 | C10 | C8 | C81 | 1.9° | 0.0° |
| C12 | C10 | C8 | N1 | 179.3° | 180.0° |
| C12 | C10 | C8 | C11 | 179.6° | 179.8° |
| C12 | C10 | C11 | C18 | 1.4° | 0.2° |
| C12 | C10 | C11 | C9 | 179.7° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 179.7° |
| C13 | C14 | C15 | C16 | 0.0° | 0.3° |
| C13 | C14 | C15 | H15 | 180.0° | 179.7° |
| H13 | C13 | C14 | C15 | 179.6° | 180.0° |
| H13 | C13 | C14 | H14 | 0.3° | 0.3° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 179.8° | 180.0° |
| H14 | C14 | C15 | C16 | 180.0° | 180.0° |
| H14 | C14 | C15 | H15 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
| C82 | C83 | C84 | H83 | 180.0° | 180.0° |
| C83 | C82 | C81 | H82 | 180.0° | 180.0° |
| C83 | C82 | C81 | C86 | 0.1° | 0.2° |
| C83 | C82 | C81 | C8 | 179.7° | 180.0° |
| C82 | C83 | C84 | C85 | 0.1° | 0.0° |
| C82 | C83 | C84 | F1 | 179.8° | 180.0° |
| C84 | C83 | C82 | C81 | 0.1° | 0.0° |
| C84 | C83 | C82 | H82 | 179.9° | 180.0° |
| C83 | C84 | C85 | C86 | 0.1° | 0.3° |
| C83 | C84 | C85 | F1 | 179.8° | 180.0° |
| C83 | C84 | C85 | H85 | 179.9° | 180.0° |
| H83 | C83 | C82 | C81 | 179.9° | 180.0° |
| H83 | C83 | C82 | H82 | 0.1° | 0.0° |
| H83 | C83 | C84 | C85 | 179.9° | 180.0° |
| H83 | C83 | C84 | F1 | 0.2° | 0.0° |
| C82 | C81 | C86 | C8 | 179.6° | 179.8° |
| C82 | C81 | C86 | C85 | 0.1° | 0.5° |
| C82 | C81 | C86 | H86 | 179.9° | 180.0° |
| C82 | C81 | C8 | N1 | 108.4° | 119.9° |
| C82 | C81 | C8 | C10 | 73.1° | 60.0° |
| H82 | C82 | C81 | C86 | 179.9° | 179.8° |
| H82 | C82 | C81 | C8 | 0.3° | 0.0° |
| C81 | C86 | C85 | H86 | 180.0° | 179.6° |
| C81 | C86 | C85 | C84 | 0.1° | 0.5° |
| C81 | C86 | C85 | H85 | 179.9° | 179.8° |
| C86 | C81 | C8 | N1 | 72.1° | 60.3° |
| C86 | C81 | C8 | C10 | 106.5° | 119.8° |
| C8 | C81 | C86 | C85 | 179.7° | 179.7° |
| C8 | C81 | C86 | H86 | 0.3° | 0.2° |
| C81 | C8 | N1 | C10 | 178.8° | 180.0° |
| C81 | C8 | N1 | C7 | 1.5° | 0.0° |
| C81 | C8 | N1 | C9 | 177.8° | 180.0° |
| C81 | C8 | C10 | C11 | 177.6° | 179.7° |
| C86 | C85 | C84 | H85 | 180.0° | 179.7° |
| C86 | C85 | C84 | F1 | 179.8° | 179.8° |
| H86 | C86 | C85 | C84 | 179.9° | 180.0° |
| H86 | C86 | C85 | H85 | 0.1° | 0.2° |
| H85 | C85 | C84 | F1 | 0.2° | 0.0° |
| C8 | N1 | C7 | C6 | 99.1° | 90.0° |
| C8 | N1 | C7 | C9 | 179.2° | 180.0° |
| C8 | N1 | C7 | H71 | 135.7° | 30.0° |
| C8 | N1 | C7 | H72 | 26.1° | 150.0° |
| N1 | C8 | C10 | C11 | 1.1° | 0.2° |
| C8 | N1 | C9 | C11 | 0.4° | 0.3° |
| C8 | N1 | C9 | C91 | 179.3° | 180.0° |
| C10 | C8 | N1 | C7 | 179.7° | 180.0° |
| C10 | C8 | N1 | C9 | 0.9° | 0.0° |
| C8 | C10 | C11 | C18 | 178.2° | 180.0° |
| C8 | C10 | C11 | C9 | 0.8° | 0.4° |
| C20 | C19 | C24 | N2 | 179.1° | 179.6° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.6° |
| C20 | C19 | C24 | H24 | 179.9° | 180.0° |
| C20 | C19 | N2 | C18 | 140.2° | 146.7° |
| C20 | C19 | N2 | HN2 | 39.8° | 33.2° |
| C24 | C19 | C20 | C21 | 0.1° | 0.3° |
| C24 | C19 | C20 | H20 | 179.9° | 179.7° |
| C19 | C24 | C23 | C22 | 0.1° | 0.6° |
| C19 | C24 | C23 | H24 | 180.0° | 179.4° |
| C19 | C24 | C23 | H23 | 180.0° | 179.7° |
| C24 | C19 | N2 | C18 | 38.9° | 33.7° |
| C24 | C19 | N2 | HN2 | 141.1° | 146.4° |
| N2 | C19 | C20 | C21 | 179.2° | 179.9° |
| N2 | C19 | C20 | H20 | 0.8° | 0.1° |
| N2 | C19 | C24 | C23 | 179.2° | 179.8° |
| N2 | C19 | C24 | H24 | 0.7° | 0.4° |
| C19 | N2 | C18 | C11 | 178.8° | 174.5° |
| C19 | N2 | C18 | HN2 | 180.0° | 179.9° |
| C19 | N2 | C18 | O18 | 0.2° | 5.5° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 179.9° | 180.0° |
| H20 | C20 | C21 | C22 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.0° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C21 | C22 | C23 | H23 | 180.0° | 180.0° |
| H21 | C21 | C22 | C23 | 179.9° | 180.0° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.9° | 179.7° |
| H22 | C22 | C23 | H23 | 0.0° | 0.1° |
| H23 | C23 | C24 | H24 | 0.1° | 0.3° |
| O1B | C1 | O1A | C2 | 179.5° | 180.0° |
| O1B | C1 | C2 | C3 | 70.4° | 180.0° |
| O1B | C1 | C2 | H21A | 54.9° | 60.0° |
| O1B | C1 | C2 | H22A | 164.3° | 60.0° |
| H1B | O1B | C1 | O1A | 179.9° | 0.0° |
| H1B | O1B | C1 | C2 | 0.6° | 180.0° |
| O1A | C1 | C2 | C3 | 109.2° | 0.0° |
| O1A | C1 | C2 | H21A | 125.5° | 120.0° |
| O1A | C1 | C2 | H22A | 16.1° | 120.0° |
| O3 | C3 | C2 | C1 | 72.7° | 60.0° |
| O3 | C3 | C2 | C4 | 119.6° | 119.9° |
| O3 | C3 | C2 | H3 | 121.3° | 120.1° |
| O3 | C3 | C2 | H21A | 162.1° | 59.9° |
| O3 | C3 | C2 | H22A | 52.6° | 180.0° |
| O3 | C3 | C4 | H3 | 121.3° | 120.1° |
| O3 | C3 | C4 | C5 | 69.4° | 60.1° |
| O3 | C3 | C4 | H41 | 165.3° | 59.9° |
| O3 | C3 | C4 | H42 | 55.9° | 179.9° |
| HO3 | O3 | C3 | C2 | 180.0° | 60.0° |
| HO3 | O3 | C3 | C4 | 59.1° | 60.0° |
| HO3 | O3 | C3 | H3 | 60.0° | 180.0° |
| C1 | C2 | C3 | H21A | 125.3° | 120.0° |
| C1 | C2 | C3 | H22A | 125.2° | 120.0° |
| C1 | C2 | H21A | H22A | 117.2° | 120.0° |
| C1 | C2 | C3 | C4 | 167.8° | 180.0° |
| C1 | C2 | C3 | H3 | 48.6° | 60.1° |
| C3 | C2 | H21A | H22A | 117.4° | 120.1° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | C5 | 172.0° | 180.0° |
| C2 | C3 | C4 | H41 | 46.7° | 60.0° |
| C2 | C3 | C4 | H42 | 62.8° | 60.0° |
| H21A | C2 | C3 | C4 | 42.5° | 60.0° |
| H21A | C2 | C3 | H3 | 76.7° | 179.9° |
| H22A | C2 | C3 | C4 | 67.0° | 60.0° |
| H22A | C2 | C3 | H3 | 173.9° | 59.9° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 116.7° | 120.0° |
| C3 | C4 | C5 | C6 | 65.9° | 180.0° |
| C3 | C4 | C5 | O5 | 174.4° | 60.0° |
| C3 | C4 | C5 | H5 | 53.1° | 59.9° |
| H3 | C3 | C4 | C5 | 52.0° | 60.1° |
| H3 | C3 | C4 | H41 | 73.3° | 179.9° |
| H3 | C3 | C4 | H42 | 177.2° | 59.9° |
| C5 | C4 | H41 | H42 | 116.8° | 120.0° |
| C4 | C5 | C6 | O5 | 117.9° | 120.0° |
| C4 | C5 | C6 | H5 | 120.7° | 120.0° |
| C4 | C5 | O5 | H5 | 120.6° | 120.0° |
| C4 | C5 | C6 | C7 | 157.5° | 180.0° |
| C4 | C5 | C6 | H61 | 32.2° | 60.0° |
| C4 | C5 | C6 | H62 | 77.2° | 60.0° |
| C4 | C5 | O5 | HO5 | 180.0° | 60.0° |
| H41 | C4 | C5 | C6 | 59.4° | 60.0° |
| H41 | C4 | C5 | O5 | 60.3° | 60.0° |
| H41 | C4 | C5 | H5 | 178.3° | 180.0° |
| H42 | C4 | C5 | C6 | 168.9° | 60.0° |
| H42 | C4 | C5 | O5 | 49.1° | 180.0° |
| H42 | C4 | C5 | H5 | 72.2° | 60.1° |
| C6 | C5 | O5 | H5 | 118.9° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 116.7° | 120.0° |
| C5 | C6 | C7 | N1 | 171.5° | 180.0° |
| C5 | C6 | C7 | H71 | 63.2° | 59.9° |
| C5 | C6 | C7 | H72 | 46.3° | 59.9° |
| C6 | C5 | O5 | HO5 | 59.6° | 60.0° |
| O5 | C5 | C6 | C7 | 84.6° | 60.0° |
| O5 | C5 | C6 | H61 | 150.1° | 60.0° |
| O5 | C5 | C6 | H62 | 40.7° | 180.0° |
| H5 | C5 | C6 | C7 | 36.8° | 60.0° |
| H5 | C5 | C6 | H61 | 88.5° | 180.0° |
| H5 | C5 | C6 | H62 | 162.1° | 60.1° |
| H5 | C5 | O5 | HO5 | 59.4° | 180.0° |
| C7 | C6 | H61 | H62 | 116.8° | 120.0° |
| C6 | C7 | N1 | H71 | 125.2° | 120.0° |
| C6 | C7 | N1 | H72 | 125.2° | 120.0° |
| C6 | C7 | H71 | H72 | 117.3° | 119.9° |
| C6 | C7 | N1 | C9 | 80.1° | 90.0° |
| H61 | C6 | C7 | N1 | 46.3° | 60.0° |
| H61 | C6 | C7 | H71 | 171.6° | 180.0° |
| H61 | C6 | C7 | H72 | 79.0° | 60.1° |
| H62 | C6 | C7 | N1 | 63.2° | 60.0° |
| H62 | C6 | C7 | H71 | 62.1° | 60.1° |
| H62 | C6 | C7 | H72 | 171.5° | 180.0° |
| N1 | C7 | H71 | H72 | 117.4° | 120.1° |
| C7 | N1 | C9 | C11 | 179.8° | 179.7° |
| C7 | N1 | C9 | C91 | 0.1° | 0.0° |
| H71 | C7 | N1 | C9 | 45.2° | 150.0° |
| H72 | C7 | N1 | C9 | 154.7° | 30.0° |
| N1 | C9 | C11 | C10 | 0.2° | 0.4° |
| N1 | C9 | C11 | C18 | 178.8° | 180.0° |
| N1 | C9 | C11 | C91 | 179.7° | 179.7° |
| N1 | C9 | C91 | C93 | 124.9° | 120.0° |
| N1 | C9 | C91 | C92 | 109.9° | 120.0° |
| N1 | C9 | C91 | H91 | 8.2° | 0.1° |
| C10 | C11 | C18 | C9 | 178.8° | 179.5° |
| C10 | C11 | C18 | N2 | 76.5° | 90.0° |
| C10 | C11 | C18 | O18 | 104.4° | 90.0° |
| C10 | C11 | C9 | C91 | 179.9° | 179.9° |
| C11 | C18 | N2 | O18 | 179.1° | 180.0° |
| C11 | C18 | N2 | HN2 | 1.2° | 5.5° |
| C18 | C11 | C9 | C91 | 0.8° | 0.3° |
| C9 | C11 | C18 | N2 | 104.7° | 89.5° |
| C9 | C11 | C18 | O18 | 74.4° | 90.5° |
| C11 | C9 | C91 | C93 | 55.4° | 60.3° |
| C11 | C9 | C91 | C92 | 69.8° | 59.7° |
| C11 | C9 | C91 | H91 | 172.1° | 179.7° |
| O18 | C18 | N2 | HN2 | 179.8° | 174.4° |
| C9 | C91 | C93 | C92 | 126.9° | 120.0° |
| C9 | C91 | C93 | H91 | 114.6° | 120.0° |
| C9 | C91 | C92 | H91 | 114.8° | 120.1° |
| C9 | C91 | C93 | H931 | 180.0° | 60.0° |
| C9 | C91 | C93 | H932 | 54.8° | 60.0° |
| C9 | C91 | C93 | H933 | 54.7° | 180.0° |
| C9 | C91 | C92 | H921 | 180.0° | 60.0° |
| C9 | C91 | C92 | H922 | 54.7° | 180.0° |
| C9 | C91 | C92 | H923 | 54.8° | 60.0° |
| C93 | C91 | C92 | H91 | 117.4° | 119.9° |
| C91 | C93 | H931 | H932 | 125.2° | 120.0° |
| C91 | C93 | H931 | H933 | 125.2° | 120.0° |
| C91 | C93 | H932 | H933 | 116.3° | 120.0° |
| C93 | C91 | C92 | H921 | 52.2° | 180.0° |
| C93 | C91 | C92 | H922 | 73.2° | 60.0° |
| C93 | C91 | C92 | H923 | 177.4° | 60.0° |
| C92 | C91 | C93 | H931 | 53.1° | 180.0° |
| C92 | C91 | C93 | H932 | 178.3° | 60.0° |
| C92 | C91 | C93 | H933 | 72.2° | 60.0° |
| C91 | C92 | H921 | H922 | 125.3° | 120.0° |
| C91 | C92 | H921 | H923 | 125.3° | 120.0° |
| C91 | C92 | H922 | H923 | 117.0° | 120.0° |
| H91 | C91 | C93 | H931 | 65.4° | 60.0° |
| H91 | C91 | C93 | H932 | 59.8° | 180.0° |
| H91 | C91 | C93 | H933 | 169.3° | 60.0° |
| H91 | C91 | C92 | H921 | 65.2° | 60.1° |
| H91 | C91 | C92 | H922 | 169.5° | 59.9° |
| H91 | C91 | C92 | H923 | 60.0° | 180.0° |
| H931 | C93 | H932 | H933 | 116.4° | 120.1° |
| H921 | C92 | H922 | H923 | 116.9° | 120.1° |
