6DA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C3 | sing | 1.43Å | 1.43Å | |
| O | C4 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C26 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C27 | C22 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | N | sing | 1.47Å | 1.47Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C18 | sing | 1.48Å | 1.49Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| N6 | C18 | doub | 1.33Å | 1.35Å | Aromatic |
| N6 | C17 | sing | 1.31Å | 1.32Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C | N1 | sing | 1.46Å | 1.46Å | |
| C17 | C16 | doub | 1.40Å | 1.45Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.34Å | |
| C19 | C20 | doub | 1.40Å | 1.42Å | Aromatic |
| N2 | C6 | doub | 1.29Å | 1.30Å | Aromatic |
| N2 | C7 | sing | 1.35Å | 1.39Å | Aromatic |
| C6 | S | sing | 1.76Å | 1.75Å | Aromatic |
| C16 | C20 | sing | 1.42Å | 1.42Å | Aromatic |
| C16 | N5 | sing | 1.34Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.41Å | 1.43Å | Aromatic |
| S | C12 | sing | 1.76Å | 1.74Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C15 | doub | 1.31Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | N3 | sing | 1.40Å | 1.41Å | |
| C21 | N3 | sing | 1.37Å | 1.39Å | Aromatic |
| C21 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C13 | sing | 1.36Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.41Å | 1.39Å | Aromatic |
| C14 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C13 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| 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 | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C23 | H12 | sing | 1.08Å | 1.08Å | |
| C24 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H19 | sing | 0.97Å | 1.00Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å | |
| C5 | H23 | sing | 1.09Å | 1.10Å | |
| C5 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C4 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O | C4 | 110.3° | 113.7° |
| O | C3 | C2 | 111.7° | 109.3° |
| O | C3 | H5 | 108.9° | 109.5° |
| O | C3 | H6 | 108.9° | 109.5° |
| O | C4 | C5 | 111.4° | 109.2° |
| O | C4 | H25 | 109.0° | 109.5° |
| O | C4 | H26 | 109.0° | 109.6° |
| C3 | C2 | N | 110.5° | 109.2° |
| C3 | C2 | H3 | 109.2° | 109.5° |
| C3 | C2 | H4 | 109.2° | 109.5° |
| C2 | C3 | H5 | 108.9° | 109.6° |
| C2 | C3 | H6 | 108.9° | 109.5° |
| C4 | C5 | N | 110.2° | 109.3° |
| C4 | C5 | H23 | 109.3° | 109.6° |
| C4 | C5 | H24 | 109.3° | 109.5° |
| C5 | C4 | H25 | 109.0° | 109.5° |
| C5 | C4 | H26 | 109.0° | 109.5° |
| C25 | C26 | C27 | 120.3° | 120.1° |
| C26 | C25 | C24 | 119.7° | 120.3° |
| C26 | C25 | H14 | 120.1° | 119.8° |
| C25 | C26 | H15 | 119.9° | 120.0° |
| C26 | C27 | C22 | 120.8° | 119.9° |
| C27 | C26 | H15 | 119.9° | 119.9° |
| C26 | C27 | H16 | 119.6° | 120.1° |
| C25 | C24 | C23 | 120.3° | 120.1° |
| C25 | C24 | H13 | 119.9° | 120.0° |
| C24 | C25 | H14 | 120.2° | 119.9° |
| C2 | N | C5 | 109.3° | 110.7° |
| C2 | N | C1 | 110.6° | 111.0° |
| N | C2 | H3 | 109.2° | 109.5° |
| N | C2 | H4 | 109.2° | 109.5° |
| C27 | C22 | C23 | 118.1° | 119.7° |
| C27 | C22 | C18 | 121.2° | 120.1° |
| C22 | C27 | H16 | 119.6° | 120.0° |
| C5 | N | C1 | 111.1° | 111.0° |
| N | C5 | H23 | 109.3° | 109.5° |
| N | C5 | H24 | 109.3° | 109.5° |
| N | C1 | C | 113.5° | 109.5° |
| N | C1 | H1 | 108.4° | 109.5° |
| N | C1 | H2 | 108.5° | 109.5° |
| C24 | C23 | C22 | 120.8° | 119.9° |
| C24 | C23 | H12 | 119.6° | 120.1° |
| C23 | C24 | H13 | 119.9° | 119.9° |
| C23 | C22 | C18 | 120.8° | 120.1° |
| C22 | C23 | H12 | 119.6° | 120.0° |
| C22 | C18 | N6 | 117.4° | 119.4° |
| C22 | C18 | C19 | 120.2° | 119.4° |
| C1 | C | N1 | 111.5° | 109.5° |
| C | C1 | H1 | 108.5° | 109.4° |
| C | C1 | H2 | 108.4° | 109.5° |
| C1 | C | H20 | 109.0° | 109.5° |
| C1 | C | H21 | 109.0° | 109.4° |
| C18 | N6 | C17 | 117.5° | 122.7° |
| N6 | C18 | C19 | 122.3° | 121.2° |
| N6 | C17 | C16 | 127.0° | 120.5° |
| N6 | C17 | H10 | 116.5° | 119.8° |
| C18 | C19 | C20 | 120.8° | 118.5° |
| C18 | C19 | H11 | 119.6° | 120.8° |
| C | N1 | C6 | 123.6° | 120.0° |
| C | N1 | H19 | 105.8° | 120.0° |
| N1 | C | H20 | 109.0° | 109.5° |
| N1 | C | H21 | 108.9° | 109.4° |
| C17 | C16 | C20 | 113.1° | 118.5° |
| C17 | C16 | N5 | 124.3° | 121.4° |
| C16 | C17 | H10 | 116.5° | 119.8° |
| N1 | C6 | N2 | 124.9° | 124.7° |
| N1 | C6 | S | 118.0° | 124.9° |
| C6 | N1 | H19 | 105.8° | 119.9° |
| C19 | C20 | C16 | 119.2° | 118.6° |
| C19 | C20 | C21 | 124.9° | 122.5° |
| C20 | C19 | H11 | 119.6° | 120.7° |
| C6 | N2 | C7 | 109.6° | 117.8° |
| N2 | C6 | S | 117.0° | 110.4° |
| N2 | C7 | C8 | 125.5° | 128.7° |
| N2 | C7 | C12 | 115.3° | 112.9° |
| C6 | S | C12 | 88.2° | 90.4° |
| C20 | C16 | N5 | 122.6° | 120.1° |
| C16 | C20 | C21 | 115.9° | 118.9° |
| C16 | N5 | C15 | 117.1° | 122.2° |
| C8 | C7 | C12 | 119.2° | 118.5° |
| C7 | C8 | C9 | 119.5° | 120.5° |
| C7 | C8 | H18 | 120.2° | 119.7° |
| C7 | C12 | S | 109.8° | 108.4° |
| C7 | C12 | C11 | 121.8° | 120.5° |
| C20 | C21 | N3 | 131.7° | 135.5° |
| C20 | C21 | C14 | 122.2° | 118.2° |
| S | C12 | C11 | 128.3° | 131.1° |
| C8 | C9 | C10 | 120.8° | 120.5° |
| C8 | C9 | H17 | 119.6° | 119.7° |
| C9 | C8 | H18 | 120.2° | 119.7° |
| C12 | C11 | C10 | 118.0° | 120.1° |
| C12 | C11 | H7 | 121.0° | 120.0° |
| C9 | C10 | C11 | 120.6° | 119.9° |
| C9 | C10 | N3 | 119.6° | 120.1° |
| C10 | C9 | H17 | 119.6° | 119.8° |
| N5 | C15 | C14 | 127.7° | 121.5° |
| N5 | C15 | H9 | 116.1° | 119.3° |
| C11 | C10 | N3 | 119.5° | 120.1° |
| C10 | C11 | H7 | 121.0° | 119.9° |
| C10 | N3 | C21 | 128.8° | 126.3° |
| C10 | N3 | C13 | 125.8° | 126.4° |
| N3 | C21 | C14 | 106.1° | 106.4° |
| C21 | N3 | C13 | 105.1° | 107.3° |
| C21 | C14 | C15 | 114.5° | 119.1° |
| C21 | C14 | N4 | 110.0° | 106.8° |
| N3 | C13 | N4 | 114.3° | 109.9° |
| N3 | C13 | H8 | 122.8° | 125.1° |
| C15 | C14 | N4 | 135.4° | 134.0° |
| C14 | C15 | H9 | 116.2° | 119.3° |
| C14 | N4 | C13 | 104.4° | 109.6° |
| N4 | C13 | H8 | 122.9° | 125.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.4° | 109.5° |
| H20 | C | H21 | 109.4° | 109.5° |
| H23 | C5 | H24 | 109.5° | 109.4° |
| H25 | C4 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C3 | C2 | H5 | 120.4° | 119.9° |
| O | C3 | C2 | H6 | 120.4° | 119.9° |
| C3 | O | C4 | C5 | 58.3° | 58.7° |
| O | C3 | C2 | N | 56.8° | 56.9° |
| O | C3 | C2 | H3 | 63.4° | 63.1° |
| O | C3 | C2 | H4 | 176.9° | 176.8° |
| O | C3 | H5 | H6 | 119.0° | 120.1° |
| C3 | O | C4 | H25 | 62.0° | 178.6° |
| C3 | O | C4 | H26 | 178.6° | 61.3° |
| C4 | O | C3 | C2 | 57.5° | 58.7° |
| O | C4 | C5 | H25 | 120.3° | 119.9° |
| O | C4 | C5 | H26 | 120.3° | 120.0° |
| O | C4 | C5 | N | 58.5° | 56.9° |
| C4 | O | C3 | H5 | 177.9° | 61.3° |
| C4 | O | C3 | H6 | 62.8° | 178.7° |
| O | C4 | C5 | H23 | 178.6° | 63.1° |
| O | C4 | C5 | H24 | 61.6° | 176.9° |
| O | C4 | H25 | H26 | 119.1° | 120.2° |
| C3 | C2 | N | H3 | 120.2° | 120.0° |
| C3 | C2 | N | H4 | 120.2° | 119.9° |
| C3 | C2 | N | C5 | 55.6° | 58.6° |
| C3 | C2 | N | C1 | 178.3° | 177.6° |
| C3 | C2 | H3 | H4 | 119.5° | 120.1° |
| C2 | C3 | H5 | H6 | 118.9° | 120.1° |
| C4 | C5 | N | C2 | 56.5° | 58.6° |
| C4 | C5 | N | H23 | 120.1° | 120.0° |
| C4 | C5 | N | H24 | 120.1° | 120.0° |
| C4 | C5 | N | C1 | 178.9° | 177.6° |
| C4 | C5 | H23 | H24 | 119.7° | 120.1° |
| C5 | C4 | H25 | H26 | 119.1° | 120.1° |
| C25 | C26 | C27 | H15 | 180.0° | 179.7° |
| C26 | C25 | C24 | H14 | 180.0° | 179.9° |
| C25 | C26 | C27 | C22 | 1.2° | 0.7° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C26 | C25 | C24 | H13 | 179.8° | 179.9° |
| C25 | C26 | C27 | H16 | 178.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.7° | 0.4° |
| C26 | C27 | C22 | H16 | 180.0° | 179.3° |
| C26 | C27 | C22 | C23 | 0.6° | 0.6° |
| C26 | C27 | C22 | C18 | 179.9° | 179.7° |
| C27 | C26 | C25 | H14 | 179.3° | 179.7° |
| C25 | C24 | C23 | H13 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.7° | 0.1° |
| C25 | C24 | C23 | H12 | 179.3° | 180.0° |
| C24 | C25 | C26 | H15 | 179.2° | 180.0° |
| C2 | N | C5 | C1 | 122.4° | 123.7° |
| C2 | N | C1 | C | 142.6° | 170.0° |
| C2 | N | C1 | H1 | 96.8° | 50.1° |
| C2 | N | C1 | H2 | 22.0° | 70.0° |
| N | C2 | H3 | H4 | 119.5° | 120.1° |
| N | C2 | C3 | H5 | 177.1° | 63.1° |
| N | C2 | C3 | H6 | 63.6° | 176.8° |
| C2 | N | C5 | H23 | 176.6° | 61.4° |
| C2 | N | C5 | H24 | 63.7° | 178.6° |
| C27 | C22 | C23 | C24 | 0.3° | 0.3° |
| C27 | C22 | C23 | C18 | 179.3° | 179.7° |
| C27 | C22 | C18 | N6 | 33.5° | 178.3° |
| C27 | C22 | C18 | C19 | 148.7° | 0.3° |
| C27 | C22 | C23 | H12 | 179.7° | 179.7° |
| C22 | C27 | C26 | H15 | 178.8° | 179.7° |
| C5 | N | C1 | C | 95.8° | 66.4° |
| C5 | N | C1 | H1 | 24.8° | 173.7° |
| C5 | N | C1 | H2 | 143.6° | 53.6° |
| C5 | N | C2 | H3 | 64.6° | 61.3° |
| C5 | N | C2 | H4 | 175.7° | 178.6° |
| N | C5 | H23 | H24 | 119.6° | 120.0° |
| N | C5 | C4 | H25 | 61.8° | 176.8° |
| N | C5 | C4 | H26 | 178.8° | 63.1° |
| N | C1 | C | H1 | 120.6° | 120.0° |
| N | C1 | C | H2 | 120.6° | 120.1° |
| N | C1 | C | N1 | 79.1° | 180.0° |
| N | C1 | H1 | H2 | 118.2° | 120.0° |
| C1 | N | C2 | H3 | 58.1° | 62.4° |
| C1 | N | C2 | H4 | 61.6° | 57.7° |
| N | C1 | C | H20 | 160.6° | 59.9° |
| N | C1 | C | H21 | 41.2° | 60.1° |
| C1 | N | C5 | H23 | 61.0° | 62.4° |
| C1 | N | C5 | H24 | 58.7° | 57.6° |
| C24 | C23 | C22 | H12 | 180.0° | 180.0° |
| C24 | C23 | C22 | C18 | 179.0° | 179.9° |
| C23 | C24 | C25 | H14 | 179.8° | 179.9° |
| C23 | C22 | C18 | N6 | 147.2° | 2.1° |
| C23 | C22 | C18 | C19 | 30.5° | 180.0° |
| C22 | C23 | C24 | H13 | 179.3° | 180.0° |
| C23 | C22 | C27 | H16 | 179.4° | 179.9° |
| C22 | C18 | N6 | C19 | 177.7° | 177.9° |
| C22 | C18 | N6 | C17 | 178.4° | 179.0° |
| C22 | C18 | C19 | C20 | 176.1° | 180.0° |
| C22 | C18 | C19 | H11 | 3.9° | 0.0° |
| C18 | C22 | C23 | H12 | 1.0° | 0.0° |
| C18 | C22 | C27 | H16 | 0.1° | 0.4° |
| C1 | C | N1 | H20 | 120.3° | 120.0° |
| C1 | C | N1 | H21 | 120.3° | 120.0° |
| C1 | C | N1 | C6 | 155.6° | 180.0° |
| C | C1 | H1 | H2 | 118.2° | 120.0° |
| C1 | C | N1 | H19 | 33.6° | 0.1° |
| C1 | C | H20 | H21 | 119.1° | 120.0° |
| C18 | N6 | C17 | C16 | 1.5° | 0.1° |
| N6 | C18 | C19 | C20 | 1.5° | 2.1° |
| C18 | N6 | C17 | H10 | 178.5° | 180.0° |
| N6 | C18 | C19 | H11 | 178.5° | 177.9° |
| C17 | N6 | C18 | C19 | 0.8° | 1.1° |
| N6 | C17 | C16 | H10 | 180.0° | 179.9° |
| N6 | C17 | C16 | C20 | 0.0° | 0.1° |
| N6 | C17 | C16 | N5 | 178.1° | 178.9° |
| C18 | C19 | C20 | H11 | 180.0° | 180.0° |
| C18 | C19 | C20 | C16 | 3.0° | 2.1° |
| C18 | C19 | C20 | C21 | 179.8° | 179.0° |
| C | N1 | C6 | H19 | 121.9° | 180.0° |
| C | N1 | C6 | N2 | 17.9° | 0.0° |
| C | N1 | C6 | S | 164.5° | 179.0° |
| N1 | C | C1 | H1 | 41.5° | 60.0° |
| N1 | C | C1 | H2 | 160.3° | 60.0° |
| N1 | C | H20 | H21 | 119.0° | 120.0° |
| C17 | C16 | C20 | C19 | 2.2° | 1.1° |
| C17 | C16 | C20 | N5 | 178.1° | 178.9° |
| C17 | C16 | C20 | C21 | 179.7° | 180.0° |
| C17 | C16 | N5 | C15 | 179.4° | 179.6° |
| N1 | C6 | N2 | S | 177.6° | 179.1° |
| N1 | C6 | N2 | C7 | 178.6° | 180.0° |
| N1 | C6 | S | C12 | 178.3° | 179.7° |
| C6 | N1 | C | H20 | 84.1° | 60.0° |
| C6 | N1 | C | H21 | 35.2° | 60.0° |
| C19 | C20 | C16 | C21 | 177.4° | 179.0° |
| C19 | C20 | C16 | N5 | 179.7° | 180.0° |
| C19 | C20 | C21 | N3 | 3.8° | 0.2° |
| C19 | C20 | C21 | C14 | 179.5° | 179.5° |
| C6 | N2 | C7 | C8 | 179.1° | 180.0° |
| C6 | N2 | C7 | C12 | 1.0° | 0.7° |
| N2 | C6 | S | C12 | 0.5° | 0.6° |
| N2 | C6 | N1 | H19 | 104.0° | 180.0° |
| C7 | N2 | C6 | S | 0.9° | 0.8° |
| N2 | C7 | C8 | C12 | 179.9° | 179.3° |
| N2 | C7 | C12 | S | 0.7° | 0.2° |
| N2 | C7 | C8 | C9 | 179.9° | 179.9° |
| N2 | C7 | C12 | C11 | 177.9° | 179.9° |
| N2 | C7 | C8 | H18 | 0.1° | 0.5° |
| C6 | S | C12 | C7 | 0.1° | 0.2° |
| C6 | S | C12 | C11 | 177.1° | 179.7° |
| S | C6 | N1 | H19 | 73.6° | 1.0° |
| C20 | C16 | N5 | C15 | 2.7° | 0.8° |
| C16 | C20 | C21 | N3 | 178.9° | 179.1° |
| C16 | C20 | C21 | C14 | 2.2° | 0.6° |
| C20 | C16 | C17 | H10 | 180.0° | 180.0° |
| C16 | C20 | C19 | H11 | 177.0° | 177.9° |
| N5 | C16 | C20 | C21 | 2.3° | 1.1° |
| C16 | N5 | C15 | C14 | 3.3° | 0.0° |
| C16 | N5 | C15 | H9 | 176.7° | 180.0° |
| N5 | C16 | C17 | H10 | 1.9° | 1.1° |
| C8 | C7 | C12 | S | 179.4° | 179.6° |
| C7 | C8 | C9 | H18 | 180.0° | 179.4° |
| C8 | C7 | C12 | C11 | 2.2° | 0.5° |
| C7 | C8 | C9 | C10 | 2.4° | 0.6° |
| C7 | C8 | C9 | H17 | 177.5° | 179.5° |
| C7 | C12 | S | C11 | 177.0° | 180.0° |
| C12 | C7 | C8 | C9 | 0.2° | 0.8° |
| C7 | C12 | C11 | C10 | 1.5° | 0.0° |
| C7 | C12 | C11 | H7 | 178.5° | 179.8° |
| C12 | C7 | C8 | H18 | 179.7° | 179.8° |
| C20 | C21 | N3 | C10 | 6.3° | 0.3° |
| C20 | C21 | N3 | C14 | 177.1° | 179.7° |
| C20 | C21 | N3 | C13 | 179.9° | 180.0° |
| C20 | C21 | C14 | C15 | 2.5° | 0.1° |
| C20 | C21 | C14 | N4 | 179.4° | 179.8° |
| C21 | C20 | C19 | H11 | 0.2° | 1.0° |
| S | C12 | C11 | C10 | 178.2° | 180.0° |
| S | C12 | C11 | H7 | 1.8° | 0.2° |
| C8 | C9 | C10 | H17 | 180.0° | 179.9° |
| C8 | C9 | C10 | C11 | 3.2° | 0.1° |
| C8 | C9 | C10 | N3 | 176.7° | 179.9° |
| C12 | C11 | C10 | C9 | 1.2° | 0.2° |
| C12 | C11 | C10 | H7 | 180.0° | 179.8° |
| C12 | C11 | C10 | N3 | 174.7° | 179.8° |
| C9 | C10 | C11 | N3 | 173.5° | 180.0° |
| C9 | C10 | N3 | C21 | 93.6° | 56.6° |
| C9 | C10 | N3 | C13 | 78.8° | 123.1° |
| C9 | C10 | C11 | H7 | 178.8° | 180.0° |
| C10 | C9 | C8 | H18 | 177.6° | 180.0° |
| N5 | C15 | C14 | C21 | 3.2° | 0.4° |
| N5 | C15 | C14 | H9 | 180.0° | 180.0° |
| N5 | C15 | C14 | N4 | 179.0° | 180.0° |
| C11 | C10 | N3 | C21 | 80.0° | 123.4° |
| C11 | C10 | N3 | C13 | 107.6° | 56.9° |
| C11 | C10 | C9 | H17 | 176.8° | 180.0° |
| C10 | N3 | C21 | C13 | 173.6° | 179.8° |
| C10 | N3 | C21 | C14 | 176.6° | 180.0° |
| C10 | N3 | C13 | N4 | 175.8° | 179.7° |
| N3 | C10 | C11 | H7 | 5.3° | 0.0° |
| C10 | N3 | C13 | H8 | 4.2° | 0.1° |
| N3 | C10 | C9 | H17 | 3.3° | 0.0° |
| N3 | C21 | C14 | C15 | 180.0° | 179.9° |
| N3 | C21 | C14 | N4 | 3.1° | 0.4° |
| C21 | N3 | C13 | N4 | 1.9° | 0.0° |
| C21 | N3 | C13 | H8 | 178.1° | 179.7° |
| C14 | C21 | N3 | C13 | 2.9° | 0.2° |
| C21 | C14 | C15 | N4 | 175.8° | 179.6° |
| C21 | C14 | N4 | C13 | 2.0° | 0.5° |
| C21 | C14 | C15 | H9 | 176.8° | 179.5° |
| N3 | C13 | N4 | C14 | 0.0° | 0.3° |
| N3 | C13 | N4 | H8 | 180.0° | 179.6° |
| C15 | C14 | N4 | C13 | 177.9° | 179.9° |
| C14 | N4 | C13 | H8 | 180.0° | 180.0° |
| N4 | C14 | C15 | H9 | 1.0° | 0.0° |
| H1 | C1 | C | H20 | 78.8° | 60.0° |
| H1 | C1 | C | H21 | 161.8° | 180.0° |
| H2 | C1 | C | H20 | 39.9° | 180.0° |
| H2 | C1 | C | H21 | 79.4° | 60.0° |
| H3 | C2 | C3 | H5 | 57.0° | 177.0° |
| H3 | C2 | C3 | H6 | 176.3° | 56.9° |
| H4 | C2 | C3 | H5 | 62.7° | 56.9° |
| H4 | C2 | C3 | H6 | 56.6° | 63.3° |
| H12 | C23 | C24 | H13 | 0.7° | 0.1° |
| H13 | C24 | C25 | H14 | 0.2° | 0.0° |
| H14 | C25 | C26 | H15 | 0.7° | 0.1° |
| H15 | C26 | C27 | H16 | 1.2° | 0.4° |
| H17 | C9 | C8 | H18 | 2.4° | 0.1° |
| H19 | N1 | C | H20 | 153.9° | 120.0° |
| H19 | N1 | C | H21 | 86.7° | 120.0° |
| H23 | C5 | C4 | H25 | 58.3° | 56.8° |
| H23 | C5 | C4 | H26 | 61.1° | 176.9° |
| H24 | C5 | C4 | H25 | 178.1° | 63.2° |
| H24 | C5 | C4 | H26 | 58.7° | 56.9° |
