JDD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C13 | N1 | sing | 1.35Å | 1.37Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | N4 | sing | 1.40Å | 1.43Å | |
| C18 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.36Å | Aromatic |
| N4 | C21 | sing | 1.35Å | 1.36Å | Aromatic |
| N5 | C23 | doub | 1.31Å | 1.33Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.36Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C3 | sing | 1.46Å | 1.48Å | |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C1 | N | sing | 1.35Å | 1.33Å | |
| N | C | sing | 1.47Å | 1.45Å | |
| C3 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C5 | sing | 1.47Å | 1.47Å | |
| N2 | C8 | sing | 1.39Å | 1.38Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| N3 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C13 | C14 | 120.9° | 120.0° |
| O1 | C13 | N1 | 122.1° | 120.0° |
| C14 | C13 | N1 | 117.0° | 120.0° |
| C13 | C14 | C15 | 115.3° | 109.5° |
| C13 | C14 | H141 | 108.0° | 109.4° |
| C13 | C14 | H142 | 108.0° | 109.4° |
| C13 | N1 | C2 | 121.9° | 120.0° |
| C13 | N1 | C3 | 119.8° | 120.0° |
| C14 | C15 | C20 | 120.6° | 120.0° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C15 | C14 | H141 | 108.0° | 109.5° |
| C15 | C14 | H142 | 108.0° | 109.5° |
| C20 | C15 | C16 | 118.4° | 120.1° |
| C15 | C20 | C19 | 121.1° | 120.1° |
| C15 | C20 | H20 | 119.5° | 119.9° |
| C15 | C16 | C17 | 121.1° | 120.1° |
| C15 | C16 | H16 | 119.5° | 119.9° |
| C20 | C19 | C18 | 119.8° | 119.9° |
| C19 | C20 | H20 | 119.4° | 120.0° |
| C20 | C19 | H19 | 120.1° | 120.0° |
| C19 | C18 | N4 | 120.1° | 120.0° |
| C19 | C18 | C17 | 119.6° | 119.9° |
| C18 | C19 | H19 | 120.1° | 120.1° |
| N4 | C18 | C17 | 120.2° | 120.0° |
| C18 | N4 | N5 | 120.0° | 126.0° |
| C18 | N4 | C21 | 128.3° | 126.0° |
| C18 | C17 | C16 | 119.8° | 119.9° |
| C18 | C17 | H17 | 120.1° | 120.0° |
| N5 | N4 | C21 | 111.7° | 107.9° |
| N4 | N5 | C23 | 104.1° | 108.2° |
| N4 | C21 | C22 | 106.9° | 107.7° |
| N4 | C21 | H21 | 126.5° | 126.2° |
| N5 | C23 | C22 | 112.1° | 108.3° |
| N5 | C23 | H23 | 124.0° | 125.9° |
| C23 | C22 | C21 | 105.2° | 107.9° |
| C22 | C23 | H23 | 123.9° | 125.8° |
| C23 | C22 | H22 | 127.4° | 126.1° |
| C22 | C21 | H21 | 126.5° | 126.1° |
| C21 | C22 | H22 | 127.4° | 126.0° |
| C17 | C16 | H16 | 119.4° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.1° |
| C2 | N1 | C3 | 118.3° | 120.0° |
| N1 | C2 | C1 | 115.5° | 109.5° |
| N1 | C2 | H21C | 107.9° | 109.4° |
| N1 | C2 | H22C | 108.0° | 109.5° |
| N1 | C3 | C7 | 111.9° | 109.5° |
| N1 | C3 | C4 | 111.9° | 109.5° |
| N1 | C3 | H3 | 107.5° | 109.5° |
| C2 | C1 | O | 121.6° | 120.0° |
| C2 | C1 | N | 115.0° | 120.0° |
| C1 | C2 | H21C | 108.0° | 109.5° |
| C1 | C2 | H22C | 107.9° | 109.5° |
| O | C1 | N | 123.3° | 120.0° |
| C1 | N | C | 122.8° | 120.0° |
| C1 | N | H | 118.6° | 120.0° |
| C | N | H | 118.6° | 120.0° |
| N | C | HC1 | 109.5° | 109.5° |
| N | C | HC2 | 109.4° | 109.4° |
| N | C | HC3 | 109.5° | 109.5° |
| C7 | C3 | C4 | 111.3° | 109.2° |
| C3 | C7 | C6 | 110.2° | 109.3° |
| C7 | C3 | H3 | 107.0° | 109.5° |
| C3 | C7 | H71C | 109.3° | 109.5° |
| C3 | C7 | H72C | 109.3° | 109.5° |
| C3 | C4 | C5 | 110.1° | 109.3° |
| C4 | C3 | H3 | 107.0° | 109.6° |
| C3 | C4 | H41C | 109.3° | 109.5° |
| C3 | C4 | H42C | 109.3° | 109.5° |
| C7 | C6 | N2 | 111.9° | 109.5° |
| C6 | C7 | H71C | 109.3° | 109.5° |
| C6 | C7 | H72C | 109.3° | 109.5° |
| C7 | C6 | H61C | 108.9° | 109.5° |
| C7 | C6 | H62C | 108.8° | 109.4° |
| C6 | N2 | C5 | 112.9° | 111.2° |
| C6 | N2 | C8 | 122.5° | 111.0° |
| N2 | C6 | H61C | 108.9° | 109.5° |
| N2 | C6 | H62C | 108.9° | 109.5° |
| C5 | N2 | C8 | 120.2° | 111.0° |
| N2 | C5 | C4 | 111.0° | 109.5° |
| N2 | C5 | H51C | 109.1° | 109.4° |
| N2 | C5 | H52C | 109.1° | 109.4° |
| N2 | C8 | N3 | 116.5° | 119.7° |
| N2 | C8 | C9 | 121.2° | 119.7° |
| C5 | C4 | H41C | 109.3° | 109.5° |
| C5 | C4 | H42C | 109.3° | 109.5° |
| C4 | C5 | H51C | 109.1° | 109.5° |
| C4 | C5 | H52C | 109.1° | 109.5° |
| N3 | C8 | C9 | 122.4° | 120.6° |
| C8 | N3 | C12 | 117.8° | 121.6° |
| C8 | C9 | C10 | 117.9° | 119.1° |
| C8 | C9 | H9 | 121.0° | 120.4° |
| N3 | C12 | C11 | 123.7° | 120.9° |
| N3 | C12 | H12 | 118.1° | 119.6° |
| C12 | C11 | C10 | 118.1° | 119.3° |
| C11 | C12 | H12 | 118.2° | 119.6° |
| C12 | C11 | H11 | 120.9° | 120.3° |
| C11 | C10 | C9 | 120.1° | 118.5° |
| C10 | C11 | H11 | 120.9° | 120.4° |
| C11 | C10 | H10 | 119.9° | 120.8° |
| C10 | C9 | H9 | 121.1° | 120.4° |
| C9 | C10 | H10 | 119.9° | 120.8° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.4° |
| HC1 | C | HC2 | 109.4° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.6° |
| H41C | C4 | H42C | 109.5° | 109.6° |
| H61C | C6 | H62C | 109.5° | 109.4° |
| H51C | C5 | H52C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C13 | C14 | N1 | 179.5° | 179.8° |
| O1 | C13 | C14 | C15 | 1.2° | 0.0° |
| O1 | C13 | N1 | C2 | 0.2° | 176.0° |
| O1 | C13 | N1 | C3 | 179.3° | 4.0° |
| O1 | C13 | C14 | H141 | 119.7° | 120.0° |
| O1 | C13 | C14 | H142 | 122.1° | 120.0° |
| C13 | C14 | C15 | H141 | 120.8° | 119.9° |
| C13 | C14 | C15 | H142 | 120.9° | 120.0° |
| C13 | C14 | C15 | C20 | 113.8° | 90.0° |
| C13 | C14 | C15 | C16 | 71.0° | 90.3° |
| C14 | C13 | N1 | C2 | 179.7° | 4.3° |
| C14 | C13 | N1 | C3 | 1.3° | 175.7° |
| C13 | C14 | H141 | H142 | 117.3° | 119.9° |
| N1 | C13 | C14 | C15 | 178.3° | 179.7° |
| C13 | N1 | C2 | C3 | 179.1° | 180.0° |
| C13 | N1 | C2 | C1 | 67.5° | 71.4° |
| C13 | N1 | C3 | C7 | 99.5° | 57.0° |
| C13 | N1 | C3 | C4 | 134.9° | 176.7° |
| N1 | C13 | C14 | H141 | 60.9° | 59.7° |
| N1 | C13 | C14 | H142 | 57.4° | 60.2° |
| C13 | N1 | C2 | H21C | 171.6° | 168.5° |
| C13 | N1 | C2 | H22C | 53.4° | 48.6° |
| C13 | N1 | C3 | H3 | 17.7° | 63.1° |
| C14 | C15 | C20 | C16 | 175.3° | 179.7° |
| C14 | C15 | C20 | C19 | 179.3° | 180.0° |
| C14 | C15 | C16 | C17 | 178.8° | 179.7° |
| C15 | C14 | H141 | H142 | 117.4° | 120.1° |
| C14 | C15 | C20 | H20 | 0.7° | 0.0° |
| C14 | C15 | C16 | H16 | 1.2° | 0.0° |
| C15 | C20 | C19 | H20 | 180.0° | 180.0° |
| C15 | C20 | C19 | C18 | 2.5° | 0.0° |
| C20 | C15 | C16 | C17 | 3.5° | 0.5° |
| C20 | C15 | C14 | H141 | 7.0° | 30.0° |
| C20 | C15 | C14 | H142 | 125.4° | 150.0° |
| C20 | C15 | C16 | H16 | 176.5° | 179.7° |
| C15 | C20 | C19 | H19 | 177.4° | 180.0° |
| C16 | C15 | C20 | C19 | 4.0° | 0.3° |
| C15 | C16 | C17 | C18 | 1.5° | 0.6° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C16 | C15 | C14 | H141 | 168.1° | 149.8° |
| C16 | C15 | C14 | H142 | 49.8° | 29.7° |
| C16 | C15 | C20 | H20 | 175.9° | 179.7° |
| C15 | C16 | C17 | H17 | 178.5° | 179.7° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | N4 | 176.2° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.1° |
| C19 | C18 | N4 | C17 | 176.6° | 179.9° |
| C19 | C18 | N4 | N5 | 46.1° | 0.1° |
| C19 | C18 | N4 | C21 | 137.0° | 179.7° |
| C19 | C18 | C17 | C16 | 0.1° | 0.3° |
| C18 | C19 | C20 | H20 | 177.4° | 180.0° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | N4 | N5 | C21 | 177.4° | 179.7° |
| C18 | N4 | N5 | C23 | 178.9° | 179.9° |
| C18 | N4 | C21 | C22 | 178.9° | 179.9° |
| N4 | C18 | C17 | C16 | 176.7° | 179.7° |
| N4 | C18 | C19 | H19 | 3.9° | 0.0° |
| N4 | C18 | C17 | H17 | 3.3° | 0.0° |
| C18 | N4 | C21 | H21 | 1.2° | 0.0° |
| C17 | C18 | N4 | N5 | 130.5° | 180.0° |
| C17 | C18 | N4 | C21 | 46.4° | 0.3° |
| C18 | C17 | C16 | H17 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 178.5° | 179.7° |
| C17 | C18 | C19 | H19 | 179.6° | 180.0° |
| N4 | N5 | C23 | C22 | 0.8° | 0.0° |
| N5 | N4 | C21 | C22 | 1.8° | 0.4° |
| N5 | N4 | C21 | H21 | 178.3° | 179.7° |
| N4 | N5 | C23 | H23 | 179.2° | 179.9° |
| C21 | N4 | N5 | C23 | 1.6° | 0.2° |
| N4 | C21 | C22 | C23 | 1.2° | 0.4° |
| N4 | C21 | C22 | H21 | 180.0° | 179.9° |
| N4 | C21 | C22 | H22 | 178.8° | 179.8° |
| N5 | C23 | C22 | H23 | 180.0° | 179.9° |
| N5 | C23 | C22 | C21 | 0.3° | 0.2° |
| N5 | C23 | C22 | H22 | 179.7° | 179.9° |
| C23 | C22 | C21 | H22 | 180.0° | 179.8° |
| C23 | C22 | C21 | H21 | 178.8° | 179.7° |
| C21 | C22 | C23 | H23 | 179.7° | 179.9° |
| N1 | C2 | C1 | H21C | 120.9° | 120.0° |
| N1 | C2 | C1 | H22C | 120.9° | 120.0° |
| N1 | C2 | C1 | O | 21.6° | 6.5° |
| N1 | C2 | C1 | N | 154.4° | 173.5° |
| C2 | N1 | C3 | C7 | 81.4° | 123.0° |
| C2 | N1 | C3 | C4 | 44.2° | 3.3° |
| N1 | C2 | H21C | H22C | 117.3° | 120.0° |
| C2 | N1 | C3 | H3 | 161.4° | 116.9° |
| C3 | N1 | C2 | C1 | 113.4° | 108.5° |
| N1 | C3 | C7 | C4 | 126.0° | 119.9° |
| N1 | C3 | C7 | H3 | 117.5° | 120.1° |
| N1 | C3 | C4 | H3 | 117.5° | 120.1° |
| N1 | C3 | C7 | C6 | 179.8° | 62.3° |
| N1 | C3 | C4 | C5 | 178.9° | 62.2° |
| C3 | N1 | C2 | H21C | 7.5° | 11.5° |
| C3 | N1 | C2 | H22C | 125.7° | 131.4° |
| N1 | C3 | C7 | H71C | 59.7° | 57.6° |
| N1 | C3 | C7 | H72C | 60.1° | 177.8° |
| N1 | C3 | C4 | H41C | 58.8° | 177.8° |
| N1 | C3 | C4 | H42C | 61.0° | 57.7° |
| C2 | C1 | O | N | 175.7° | 180.0° |
| C2 | C1 | N | C | 129.3° | 180.0° |
| C1 | C2 | H21C | H22C | 117.2° | 120.0° |
| C2 | C1 | N | H | 50.7° | 0.0° |
| O | C1 | N | C | 46.6° | 0.0° |
| O | C1 | C2 | H21C | 99.3° | 126.5° |
| O | C1 | C2 | H22C | 142.5° | 113.5° |
| O | C1 | N | H | 133.4° | 180.0° |
| C1 | N | C | H | 180.0° | 180.0° |
| N | C1 | C2 | H21C | 84.7° | 53.5° |
| N | C1 | C2 | H22C | 33.5° | 66.5° |
| C1 | N | C | HC1 | 180.0° | 60.0° |
| C1 | N | C | HC2 | 60.0° | 60.0° |
| C1 | N | C | HC3 | 60.0° | 179.9° |
| N | C | HC1 | HC2 | 120.0° | 119.9° |
| N | C | HC1 | HC3 | 120.0° | 120.0° |
| N | C | HC2 | HC3 | 120.0° | 120.0° |
| C7 | C3 | C4 | H3 | 116.5° | 120.0° |
| C3 | C7 | C6 | H71C | 120.1° | 119.9° |
| C3 | C7 | C6 | H72C | 120.1° | 119.9° |
| C3 | C7 | C6 | N2 | 53.7° | 59.2° |
| C7 | C3 | C4 | C5 | 55.1° | 57.7° |
| C3 | C7 | H71C | H72C | 119.7° | 120.2° |
| C7 | C3 | C4 | H41C | 175.2° | 62.3° |
| C7 | C3 | C4 | H42C | 65.0° | 177.6° |
| C3 | C7 | C6 | H61C | 174.1° | 60.9° |
| C3 | C7 | C6 | H62C | 66.6° | 179.2° |
| C4 | C3 | C7 | C6 | 53.8° | 57.6° |
| C3 | C4 | C5 | N2 | 56.1° | 59.2° |
| C3 | C4 | C5 | H41C | 120.1° | 120.0° |
| C3 | C4 | C5 | H42C | 120.1° | 119.9° |
| C4 | C3 | C7 | H71C | 66.3° | 177.6° |
| C4 | C3 | C7 | H72C | 173.9° | 62.2° |
| C3 | C4 | H41C | H42C | 119.7° | 120.1° |
| C3 | C4 | C5 | H51C | 176.3° | 60.8° |
| C3 | C4 | C5 | H52C | 64.1° | 179.1° |
| C7 | C6 | N2 | H61C | 120.4° | 120.1° |
| C7 | C6 | N2 | H62C | 120.3° | 120.0° |
| C7 | C6 | N2 | C5 | 56.4° | 61.8° |
| C7 | C6 | N2 | C8 | 99.9° | 174.2° |
| C6 | C7 | C3 | H3 | 62.7° | 177.6° |
| C6 | C7 | H71C | H72C | 119.7° | 120.1° |
| C7 | C6 | H61C | H62C | 118.9° | 119.9° |
| C6 | N2 | C5 | C8 | 156.9° | 124.1° |
| C6 | N2 | C5 | C4 | 57.4° | 61.8° |
| C6 | N2 | C8 | N3 | 26.5° | 0.0° |
| C6 | N2 | C8 | C9 | 154.2° | 179.7° |
| N2 | C6 | C7 | H71C | 66.3° | 179.1° |
| N2 | C6 | C7 | H72C | 173.8° | 60.7° |
| N2 | C6 | H61C | H62C | 118.9° | 120.0° |
| C6 | N2 | C5 | H51C | 177.6° | 58.2° |
| C6 | N2 | C5 | H52C | 62.9° | 178.2° |
| N2 | C5 | C4 | H51C | 120.2° | 120.0° |
| N2 | C5 | C4 | H52C | 120.2° | 120.0° |
| C5 | N2 | C8 | N3 | 178.8° | 124.2° |
| C5 | N2 | C8 | C9 | 0.4° | 56.1° |
| N2 | C5 | C4 | H41C | 176.2° | 60.8° |
| N2 | C5 | C4 | H42C | 63.9° | 179.1° |
| C5 | N2 | C6 | H61C | 176.8° | 58.3° |
| C5 | N2 | C6 | H62C | 63.9° | 178.2° |
| N2 | C5 | H51C | H52C | 119.3° | 119.9° |
| C8 | N2 | C5 | C4 | 99.5° | 174.2° |
| N2 | C8 | N3 | C9 | 179.2° | 179.7° |
| N2 | C8 | N3 | C12 | 178.3° | 179.9° |
| N2 | C8 | C9 | C10 | 180.0° | 179.7° |
| C8 | N2 | C6 | H61C | 20.5° | 65.8° |
| C8 | N2 | C6 | H62C | 139.7° | 54.2° |
| C8 | N2 | C5 | H51C | 20.7° | 65.8° |
| C8 | N2 | C5 | H52C | 140.2° | 54.2° |
| N2 | C8 | C9 | H9 | 0.0° | 0.0° |
| C5 | C4 | C3 | H3 | 61.4° | 177.6° |
| C5 | C4 | H41C | H42C | 119.7° | 120.0° |
| C4 | C5 | H51C | H52C | 119.3° | 120.1° |
| C8 | N3 | C12 | C11 | 2.9° | 0.0° |
| N3 | C8 | C9 | C10 | 0.8° | 0.6° |
| N3 | C8 | C9 | H9 | 179.2° | 179.7° |
| C8 | N3 | C12 | H12 | 177.1° | 180.0° |
| C9 | C8 | N3 | C12 | 1.0° | 0.3° |
| C8 | C9 | C10 | C11 | 0.7° | 0.6° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C8 | C9 | C10 | H10 | 179.3° | 179.7° |
| N3 | C12 | C11 | H12 | 180.0° | 180.0° |
| N3 | C12 | C11 | C10 | 3.0° | 0.0° |
| N3 | C12 | C11 | H11 | 177.0° | 179.9° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 1.1° | 0.3° |
| C12 | C11 | C10 | H10 | 178.9° | 180.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C11 | C10 | C9 | H9 | 179.3° | 179.7° |
| C10 | C11 | C12 | H12 | 177.0° | 180.0° |
| C9 | C10 | C11 | H11 | 178.9° | 179.8° |
| H20 | C20 | C19 | H19 | 2.6° | 0.0° |
| H16 | C16 | C17 | H17 | 1.5° | 0.0° |
| H21 | C21 | C22 | H22 | 1.2° | 0.1° |
| H23 | C23 | C22 | H22 | 0.3° | 0.0° |
| H3 | C3 | C7 | H71C | 177.2° | 62.4° |
| H3 | C3 | C7 | H72C | 57.4° | 57.7° |
| H3 | C3 | C4 | H41C | 58.7° | 57.7° |
| H3 | C3 | C4 | H42C | 178.6° | 62.5° |
| H | N | C | HC1 | 0.0° | 120.0° |
| H | N | C | HC2 | 120.0° | 120.0° |
| H | N | C | HC3 | 120.0° | 0.1° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.1° |
| H71C | C7 | C6 | H61C | 54.1° | 59.1° |
| H71C | C7 | C6 | H62C | 173.3° | 60.9° |
| H72C | C7 | C6 | H61C | 65.8° | 179.2° |
| H72C | C7 | C6 | H62C | 53.5° | 59.3° |
| H41C | C4 | C5 | H51C | 63.5° | 179.3° |
| H41C | C4 | C5 | H52C | 56.0° | 59.2° |
| H42C | C4 | C5 | H51C | 56.3° | 59.2° |
| H42C | C4 | C5 | H52C | 175.8° | 60.9° |
| H9 | C9 | C10 | H10 | 0.7° | 0.0° |
| H12 | C12 | C11 | H11 | 3.0° | 0.1° |
| H11 | C11 | C10 | H10 | 1.1° | 0.0° |
