GS3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | N7 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C8 | sing | 1.39Å | 1.40Å | |
| C8 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C8 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C9 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | N3 | sing | 1.38Å | 1.41Å | |
| C9 | C17 | doub | 1.40Å | 1.38Å | Aromatic |
| N3 | C10 | sing | 1.39Å | 1.40Å | |
| C10 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | F1 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | doub | 1.40Å | 1.38Å | Aromatic |
| C15 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | O2 | doub | 1.22Å | 1.22Å | |
| C16 | N4 | sing | 1.35Å | 1.37Å | |
| C17 | C18 | sing | 1.46Å | 1.42Å | Aromatic |
| C17 | C20 | sing | 1.41Å | 1.37Å | Aromatic |
| C18 | C19 | doub | 1.34Å | 1.37Å | Aromatic |
| C19 | N5 | sing | 1.37Å | 1.36Å | Aromatic |
| N5 | C20 | sing | 1.37Å | 1.37Å | Aromatic |
| C20 | N6 | doub | 1.33Å | 1.33Å | Aromatic |
| N7 | C21 | sing | 1.47Å | 1.45Å | |
| N7 | C24 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | N8 | sing | 1.47Å | 1.49Å | |
| N8 | C23 | sing | 1.47Å | 1.50Å | |
| N8 | C25 | sing | 1.47Å | 1.50Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N4 | HN4A | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C2 | 108.8° | 117.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H1A | 109.4° | 109.5° |
| O1 | C1 | H1B | 109.4° | 109.5° |
| O1 | C2 | C3 | 122.1° | 120.1° |
| O1 | C2 | C7 | 116.3° | 120.0° |
| C3 | C2 | C7 | 121.5° | 119.9° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H3 | 119.7° | 120.0° |
| C2 | C7 | C6 | 118.2° | 120.0° |
| C2 | C7 | N1 | 117.1° | 120.0° |
| C3 | C4 | C5 | 117.7° | 120.0° |
| C3 | C4 | N7 | 120.5° | 120.0° |
| C4 | C3 | H3 | 119.7° | 120.0° |
| C5 | C4 | N7 | 121.8° | 120.0° |
| C4 | C5 | C6 | 122.0° | 120.1° |
| C4 | C5 | H5 | 119.0° | 119.9° |
| C4 | N7 | C21 | 110.5° | 111.0° |
| C4 | N7 | C24 | 114.1° | 111.0° |
| C5 | C6 | C7 | 120.0° | 120.0° |
| C6 | C5 | H5 | 119.0° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | N1 | 124.7° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C7 | N1 | C8 | 128.7° | 120.0° |
| C7 | N1 | HN1 | 115.6° | 120.1° |
| N1 | C8 | N2 | 119.1° | 118.8° |
| N1 | C8 | N6 | 115.3° | 118.7° |
| C8 | N1 | HN1 | 115.7° | 119.9° |
| N2 | C8 | N6 | 125.6° | 122.5° |
| C8 | N2 | C9 | 120.2° | 121.0° |
| C8 | N6 | C20 | 113.1° | 120.7° |
| N2 | C9 | N3 | 123.5° | 120.8° |
| N2 | C9 | C17 | 117.9° | 118.4° |
| N3 | C9 | C17 | 118.6° | 120.8° |
| C9 | N3 | C10 | 126.6° | 120.0° |
| C9 | N3 | HN3 | 116.7° | 120.0° |
| C9 | C17 | C18 | 135.1° | 135.0° |
| C9 | C17 | C20 | 117.6° | 118.8° |
| N3 | C10 | C11 | 122.5° | 120.2° |
| N3 | C10 | C15 | 119.5° | 120.1° |
| C10 | N3 | HN3 | 116.7° | 120.0° |
| C11 | C10 | C15 | 118.0° | 119.7° |
| C10 | C11 | C12 | 120.6° | 120.1° |
| C10 | C11 | H11 | 119.7° | 120.0° |
| C10 | C15 | C14 | 121.9° | 119.5° |
| C10 | C15 | C16 | 121.0° | 120.3° |
| C11 | C12 | C13 | 120.9° | 120.5° |
| C12 | C11 | H11 | 119.7° | 119.9° |
| C11 | C12 | H12 | 119.5° | 119.8° |
| C12 | C13 | C14 | 119.0° | 120.3° |
| C13 | C12 | H12 | 119.5° | 119.7° |
| C12 | C13 | H13 | 120.5° | 119.8° |
| C13 | C14 | F1 | 121.4° | 120.1° |
| C13 | C14 | C15 | 119.7° | 119.9° |
| C14 | C13 | H13 | 120.5° | 119.8° |
| F1 | C14 | C15 | 118.9° | 120.1° |
| C14 | C15 | C16 | 117.1° | 120.2° |
| C15 | C16 | O2 | 121.7° | 120.0° |
| C15 | C16 | N4 | 112.4° | 120.0° |
| O2 | C16 | N4 | 125.9° | 120.0° |
| C16 | N4 | HN4 | 110.7° | 120.0° |
| C16 | N4 | HN4A | 124.6° | 120.0° |
| C18 | C17 | C20 | 107.2° | 106.2° |
| C17 | C18 | C19 | 107.3° | 106.8° |
| C17 | C18 | H18 | 126.3° | 126.6° |
| C17 | C20 | N5 | 107.8° | 107.1° |
| C17 | C20 | N6 | 125.6° | 118.6° |
| C18 | C19 | N5 | 107.9° | 109.8° |
| C19 | C18 | H18 | 126.4° | 126.6° |
| C18 | C19 | H19 | 126.0° | 125.1° |
| C19 | N5 | C20 | 109.7° | 110.0° |
| N5 | C19 | H19 | 126.1° | 125.1° |
| C19 | N5 | HN5 | 125.2° | 125.0° |
| N5 | C20 | N6 | 126.6° | 134.2° |
| C20 | N5 | HN5 | 125.2° | 125.0° |
| C21 | N7 | C24 | 111.5° | 110.9° |
| N7 | C21 | C22 | 107.4° | 109.4° |
| N7 | C21 | H21 | 110.2° | 109.5° |
| N7 | C21 | H21A | 110.6° | 109.5° |
| N7 | C24 | C23 | 106.9° | 109.4° |
| N7 | C24 | H24 | 110.3° | 109.5° |
| N7 | C24 | H24A | 110.9° | 109.5° |
| C21 | C22 | N8 | 107.2° | 109.4° |
| C22 | C21 | H21 | 110.2° | 109.5° |
| C22 | C21 | H21A | 110.7° | 109.5° |
| C21 | C22 | H22 | 110.3° | 109.5° |
| C21 | C22 | H22A | 110.7° | 109.5° |
| C22 | N8 | C23 | 113.8° | 110.9° |
| C22 | N8 | C25 | 111.6° | 111.0° |
| N8 | C22 | H22 | 110.2° | 109.4° |
| N8 | C22 | H22A | 110.7° | 109.5° |
| C23 | N8 | C25 | 115.1° | 111.0° |
| N8 | C23 | C24 | 111.0° | 109.4° |
| N8 | C23 | H23 | 109.0° | 109.4° |
| N8 | C23 | H23A | 108.6° | 109.5° |
| N8 | C25 | C26 | 109.0° | 109.5° |
| N8 | C25 | C27 | 108.6° | 109.5° |
| N8 | C25 | H25 | 109.3° | 109.5° |
| C24 | C23 | H23 | 109.0° | 109.5° |
| C24 | C23 | H23A | 108.6° | 109.5° |
| C23 | C24 | H24 | 110.3° | 109.5° |
| C23 | C24 | H24A | 110.9° | 109.5° |
| C26 | C25 | C27 | 106.2° | 109.4° |
| C26 | C25 | H25 | 111.6° | 109.4° |
| C25 | C26 | H26 | 109.5° | 109.5° |
| C25 | C26 | H26A | 109.4° | 109.5° |
| C25 | C26 | H26B | 109.5° | 109.4° |
| C27 | C25 | H25 | 112.0° | 109.4° |
| C25 | C27 | H27 | 109.5° | 109.5° |
| C25 | C27 | H27A | 109.5° | 109.6° |
| C25 | C27 | H27B | 109.5° | 109.4° |
| H1 | C1 | H1A | 109.5° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| HN4 | N4 | HN4A | 124.7° | 120.0° |
| H21 | C21 | H21A | 107.8° | 109.5° |
| H22 | C22 | H22A | 107.7° | 109.5° |
| H23 | C23 | H23A | 110.7° | 109.5° |
| H24 | C24 | H24A | 107.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.4° |
| H26 | C26 | H26B | 109.5° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.4° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O1 | C2 | C3 | 13.8° | 0.0° |
| C1 | O1 | C2 | C7 | 166.1° | 179.7° |
| O1 | C1 | H1 | H1A | 120.0° | 120.0° |
| O1 | C1 | H1 | H1B | 120.0° | 120.0° |
| O1 | C1 | H1A | H1B | 120.0° | 120.1° |
| O1 | C2 | C3 | C7 | 180.0° | 179.7° |
| O1 | C2 | C3 | C4 | 179.0° | 180.0° |
| O1 | C2 | C7 | C6 | 179.7° | 179.7° |
| O1 | C2 | C7 | N1 | 0.2° | 0.0° |
| C2 | O1 | C1 | H1 | 15.6° | 180.0° |
| C2 | O1 | C1 | H1A | 104.5° | 60.1° |
| C2 | O1 | C1 | H1B | 135.5° | 60.0° |
| O1 | C2 | C3 | H3 | 1.0° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | N7 | 180.0° | 180.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.6° |
| C3 | C2 | C7 | N1 | 179.9° | 179.8° |
| C7 | C2 | C3 | C4 | 1.0° | 0.3° |
| C2 | C7 | C6 | C5 | 0.6° | 0.6° |
| C2 | C7 | C6 | N1 | 179.9° | 179.7° |
| C2 | C7 | N1 | C8 | 162.9° | 155.2° |
| C7 | C2 | C3 | H3 | 179.0° | 179.7° |
| C2 | C7 | C6 | H6 | 179.4° | 179.7° |
| C2 | C7 | N1 | HN1 | 17.1° | 24.7° |
| C3 | C4 | C5 | N7 | 179.1° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | N7 | C21 | 163.1° | 180.0° |
| C3 | C4 | N7 | C24 | 70.2° | 56.2° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.7° | 0.3° |
| C5 | C4 | N7 | C21 | 16.0° | 0.0° |
| C5 | C4 | N7 | C24 | 110.7° | 123.8° |
| C5 | C4 | C3 | H3 | 179.1° | 180.0° |
| C4 | C5 | C6 | H6 | 179.3° | 179.9° |
| N7 | C4 | C5 | C6 | 179.2° | 180.0° |
| C4 | N7 | C21 | C24 | 128.1° | 123.9° |
| C4 | N7 | C21 | C22 | 162.2° | 176.8° |
| C4 | N7 | C24 | C23 | 170.1° | 176.8° |
| N7 | C4 | C3 | H3 | 0.0° | 0.0° |
| N7 | C4 | C5 | H5 | 0.8° | 0.0° |
| C4 | N7 | C21 | H21 | 42.2° | 56.8° |
| C4 | N7 | C21 | H21A | 76.9° | 63.3° |
| C4 | N7 | C24 | H24 | 69.9° | 63.3° |
| C4 | N7 | C24 | H24A | 49.1° | 56.8° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | N1 | 179.3° | 179.7° |
| C6 | C7 | N1 | C8 | 17.0° | 25.1° |
| C7 | C6 | C5 | H5 | 179.3° | 179.7° |
| C6 | C7 | N1 | HN1 | 163.0° | 155.0° |
| C7 | N1 | C8 | HN1 | 180.0° | 180.0° |
| C7 | N1 | C8 | N2 | 9.4° | 174.0° |
| C7 | N1 | C8 | N6 | 169.9° | 5.8° |
| N1 | C7 | C6 | H6 | 0.7° | 0.0° |
| N1 | C8 | N2 | N6 | 179.2° | 179.8° |
| N1 | C8 | N2 | C9 | 179.0° | 180.0° |
| N1 | C8 | N6 | C20 | 179.4° | 179.8° |
| C8 | N2 | C9 | N3 | 180.0° | 180.0° |
| C8 | N2 | C9 | C17 | 0.2° | 0.1° |
| N2 | C8 | N6 | C20 | 0.2° | 0.5° |
| N2 | C8 | N1 | HN1 | 170.6° | 6.0° |
| N6 | C8 | N2 | C9 | 0.1° | 0.2° |
| C8 | N6 | C20 | C17 | 0.4° | 0.5° |
| C8 | N6 | C20 | N5 | 179.6° | 179.8° |
| N6 | C8 | N1 | HN1 | 10.1° | 174.2° |
| N2 | C9 | N3 | C17 | 179.7° | 179.9° |
| N2 | C9 | N3 | C10 | 3.1° | 5.8° |
| N2 | C9 | C17 | C18 | 179.7° | 180.0° |
| N2 | C9 | C17 | C20 | 0.1° | 0.1° |
| N2 | C9 | N3 | HN3 | 176.9° | 174.3° |
| C9 | N3 | C10 | HN3 | 180.0° | 179.9° |
| C9 | N3 | C10 | C11 | 34.8° | 24.7° |
| C9 | N3 | C10 | C15 | 146.0° | 155.6° |
| N3 | C9 | C17 | C18 | 0.1° | 0.1° |
| N3 | C9 | C17 | C20 | 179.8° | 180.0° |
| C17 | C9 | N3 | C10 | 177.1° | 174.1° |
| C9 | C17 | C18 | C20 | 179.7° | 179.9° |
| C9 | C17 | C18 | C19 | 179.6° | 179.9° |
| C9 | C17 | C20 | N5 | 179.7° | 180.0° |
| C9 | C17 | C20 | N6 | 0.3° | 0.3° |
| C17 | C9 | N3 | HN3 | 2.9° | 5.8° |
| C9 | C17 | C18 | H18 | 0.4° | 0.0° |
| N3 | C10 | C11 | C15 | 179.1° | 179.7° |
| N3 | C10 | C11 | C12 | 179.6° | 180.0° |
| N3 | C10 | C15 | C14 | 179.8° | 179.8° |
| N3 | C10 | C15 | C16 | 1.0° | 0.0° |
| N3 | C10 | C11 | H11 | 0.4° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C15 | C14 | 0.6° | 0.5° |
| C11 | C10 | C15 | C16 | 179.8° | 179.7° |
| C11 | C10 | N3 | HN3 | 145.2° | 155.2° |
| C10 | C11 | C12 | H12 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 0.4° | 0.2° |
| C10 | C15 | C14 | C13 | 0.4° | 0.5° |
| C10 | C15 | C14 | F1 | 179.7° | 179.8° |
| C10 | C15 | C14 | C16 | 179.2° | 179.8° |
| C10 | C15 | C16 | O2 | 46.5° | 89.9° |
| C10 | C15 | C16 | N4 | 133.4° | 90.0° |
| C15 | C10 | N3 | HN3 | 34.0° | 24.5° |
| C15 | C10 | C11 | H11 | 179.6° | 179.8° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H13 | 179.8° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | F1 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.2° |
| C13 | C12 | C11 | H11 | 180.0° | 180.0° |
| C13 | C14 | F1 | C15 | 179.9° | 179.7° |
| C13 | C14 | C15 | C16 | 179.6° | 179.7° |
| C14 | C13 | C12 | H12 | 179.8° | 179.9° |
| F1 | C14 | C15 | C16 | 0.5° | 0.0° |
| F1 | C14 | C13 | H13 | 0.1° | 0.1° |
| C14 | C15 | C16 | O2 | 134.2° | 89.8° |
| C14 | C15 | C16 | N4 | 45.8° | 90.3° |
| C15 | C14 | C13 | H13 | 180.0° | 179.8° |
| C15 | C16 | O2 | N4 | 179.9° | 179.9° |
| C15 | C16 | N4 | HN4 | 0.0° | 0.1° |
| C15 | C16 | N4 | HN4A | 180.0° | 180.0° |
| O2 | C16 | N4 | HN4 | 180.0° | 180.0° |
| O2 | C16 | N4 | HN4A | 0.1° | 0.1° |
| C16 | N4 | HN4 | HN4A | 180.0° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | N5 | 0.1° | 0.0° |
| C18 | C17 | C20 | N5 | 0.1° | 0.0° |
| C18 | C17 | C20 | N6 | 179.9° | 179.8° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C20 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C20 | N5 | C19 | 0.1° | 0.0° |
| C17 | C20 | N5 | N6 | 179.9° | 179.7° |
| C20 | C17 | C18 | H18 | 179.9° | 180.0° |
| C17 | C20 | N5 | HN5 | 180.0° | 179.9° |
| C18 | C19 | N5 | H19 | 180.0° | 180.0° |
| C18 | C19 | N5 | C20 | 0.0° | 0.0° |
| C18 | C19 | N5 | HN5 | 179.9° | 179.9° |
| C19 | N5 | C20 | HN5 | 180.0° | 179.9° |
| C19 | N5 | C20 | N6 | 180.0° | 179.7° |
| N5 | C19 | C18 | H18 | 179.9° | 180.0° |
| C20 | N5 | C19 | H19 | 180.0° | 180.0° |
| N6 | C20 | N5 | HN5 | 0.0° | 0.2° |
| N7 | C21 | C22 | H21 | 120.0° | 120.0° |
| N7 | C21 | C22 | H21A | 120.8° | 120.0° |
| N7 | C21 | C22 | N8 | 61.6° | 58.4° |
| C21 | N7 | C24 | C23 | 63.8° | 59.3° |
| N7 | C21 | H21 | H21A | 120.8° | 120.0° |
| N7 | C21 | C22 | H22 | 58.4° | 61.5° |
| N7 | C21 | C22 | H22A | 177.5° | 178.3° |
| C21 | N7 | C24 | H24 | 56.2° | 60.7° |
| C21 | N7 | C24 | H24A | 175.2° | 179.3° |
| C24 | N7 | C21 | C22 | 69.7° | 59.3° |
| N7 | C24 | C23 | N8 | 52.6° | 58.3° |
| N7 | C24 | C23 | H24 | 120.0° | 120.0° |
| N7 | C24 | C23 | H24A | 121.0° | 120.0° |
| C24 | N7 | C21 | H21 | 170.3° | 179.3° |
| C24 | N7 | C21 | H21A | 51.1° | 60.6° |
| N7 | C24 | C23 | H23 | 67.4° | 61.5° |
| N7 | C24 | C23 | H23A | 172.0° | 178.4° |
| N7 | C24 | H24 | H24A | 121.0° | 120.1° |
| C21 | C22 | N8 | H22 | 120.0° | 120.0° |
| C21 | C22 | N8 | H22A | 120.9° | 120.0° |
| C21 | C22 | N8 | C23 | 55.0° | 59.3° |
| C21 | C22 | N8 | C25 | 172.7° | 176.8° |
| C22 | C21 | H21 | H21A | 120.9° | 120.0° |
| C21 | C22 | H22 | H22A | 120.9° | 120.1° |
| C22 | N8 | C23 | C25 | 130.6° | 123.9° |
| C22 | N8 | C23 | C24 | 51.7° | 59.3° |
| C22 | N8 | C25 | C26 | 67.3° | 175.0° |
| C22 | N8 | C25 | C27 | 177.4° | 65.0° |
| N8 | C22 | C21 | H21 | 178.4° | 178.4° |
| N8 | C22 | C21 | H21A | 59.2° | 61.6° |
| N8 | C22 | H22 | H22A | 120.9° | 120.0° |
| C22 | N8 | C23 | H23 | 68.3° | 60.6° |
| C22 | N8 | C23 | H23A | 171.1° | 179.3° |
| C22 | N8 | C25 | H25 | 55.0° | 55.0° |
| N8 | C23 | C24 | H23 | 120.0° | 119.9° |
| N8 | C23 | C24 | H23A | 119.4° | 120.0° |
| C23 | N8 | C25 | C26 | 161.1° | 61.1° |
| C23 | N8 | C25 | C27 | 45.8° | 58.9° |
| C23 | N8 | C22 | H22 | 65.0° | 60.7° |
| C23 | N8 | C22 | H22A | 175.9° | 179.3° |
| N8 | C23 | H23 | H23A | 119.4° | 120.1° |
| N8 | C23 | C24 | H24 | 67.4° | 61.6° |
| N8 | C23 | C24 | H24A | 173.6° | 178.3° |
| C23 | N8 | C25 | H25 | 76.7° | 178.9° |
| C25 | N8 | C23 | C24 | 177.7° | 176.8° |
| N8 | C25 | C26 | C27 | 116.9° | 120.1° |
| N8 | C25 | C26 | H25 | 120.8° | 120.0° |
| N8 | C25 | C27 | H25 | 120.8° | 120.0° |
| C25 | N8 | C22 | H22 | 67.3° | 63.2° |
| C25 | N8 | C22 | H22A | 51.8° | 56.8° |
| C25 | N8 | C23 | H23 | 62.3° | 63.3° |
| C25 | N8 | C23 | H23A | 58.3° | 56.8° |
| N8 | C25 | C26 | H26 | 6.6° | 180.0° |
| N8 | C25 | C26 | H26A | 113.4° | 60.0° |
| N8 | C25 | C26 | H26B | 126.6° | 60.0° |
| N8 | C25 | C27 | H27 | 178.3° | 59.9° |
| N8 | C25 | C27 | H27A | 61.7° | 180.0° |
| N8 | C25 | C27 | H27B | 58.3° | 60.0° |
| C24 | C23 | H23 | H23A | 119.4° | 120.1° |
| C23 | C24 | H24 | H24A | 121.1° | 120.0° |
| C26 | C25 | C27 | H25 | 122.1° | 119.9° |
| C25 | C26 | H26 | H26A | 120.0° | 120.0° |
| C25 | C26 | H26 | H26B | 120.0° | 120.0° |
| C25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C26 | C25 | C27 | H27 | 64.6° | 180.0° |
| C26 | C25 | C27 | H27A | 55.4° | 60.0° |
| C26 | C25 | C27 | H27B | 175.4° | 60.1° |
| C27 | C25 | C26 | H26 | 123.4° | 60.0° |
| C27 | C25 | C26 | H26A | 3.4° | 179.9° |
| C27 | C25 | C26 | H26B | 116.6° | 60.1° |
| C25 | C27 | H27 | H27A | 120.0° | 120.1° |
| C25 | C27 | H27 | H27B | 120.0° | 119.9° |
| C25 | C27 | H27A | H27B | 120.0° | 120.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H5 | C5 | C6 | H6 | 0.7° | 0.0° |
| H11 | C11 | C12 | H12 | 0.0° | 0.1° |
| H12 | C12 | C13 | H13 | 0.2° | 0.0° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H19 | C19 | N5 | HN5 | 0.1° | 0.1° |
| H21 | C21 | C22 | H22 | 61.6° | 58.5° |
| H21 | C21 | C22 | H22A | 57.4° | 61.6° |
| H21A | C21 | C22 | H22 | 179.2° | 178.5° |
| H21A | C21 | C22 | H22A | 61.7° | 58.4° |
| H23 | C23 | C24 | H24 | 172.6° | 178.5° |
| H23 | C23 | C24 | H24A | 53.6° | 58.5° |
| H23A | C23 | C24 | H24 | 52.0° | 58.4° |
| H23A | C23 | C24 | H24A | 67.0° | 61.7° |
| H25 | C25 | C26 | H26 | 114.2° | 60.0° |
| H25 | C25 | C26 | H26A | 125.8° | 60.0° |
| H25 | C25 | C26 | H26B | 5.8° | 180.0° |
| H25 | C25 | C27 | H27 | 57.5° | 60.1° |
| H25 | C25 | C27 | H27A | 177.5° | 60.0° |
| H25 | C25 | C27 | H27B | 62.5° | 180.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
