XRB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C13 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| N2 | C14 | sing | 1.39Å | 1.37Å | |
| N2 | C15 | sing | 1.40Å | 1.41Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | N6 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | N4 | sing | 1.39Å | 1.41Å | |
| C19 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| N6 | C11 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | N4 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C24 | N4 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C11 | O | sing | 1.36Å | 1.37Å | |
| C23 | N5 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.43Å | 1.44Å | |
| C21 | N5 | sing | 1.47Å | 1.48Å | |
| O2 | S | doub | 1.42Å | 1.43Å | |
| N5 | S | sing | 1.66Å | 1.63Å | |
| O | C10 | sing | 1.36Å | 1.39Å | |
| C18 | N3 | trip | 1.14Å | 1.14Å | |
| C | C1 | sing | 1.51Å | 1.51Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C22 | sing | 1.81Å | 1.75Å | |
| C10 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | doub | 1.35Å | 1.32Å | |
| C5 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | N | trip | 1.14Å | 1.14Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C2 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C4 | H21 | sing | 1.08Å | 1.08Å | |
| C5 | H22 | sing | 1.08Å | 1.08Å | |
| C7 | H23 | sing | 1.08Å | 1.08Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| C9 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| N2 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | N1 | C14 | 115.4° | 120.9° |
| N1 | C13 | C12 | 124.0° | 119.3° |
| N1 | C13 | H5 | 118.0° | 120.4° |
| N1 | C14 | N2 | 115.5° | 119.2° |
| N1 | C14 | N6 | 126.6° | 121.6° |
| C25 | C26 | C15 | 120.6° | 120.3° |
| C26 | C25 | C19 | 120.3° | 120.2° |
| C26 | C25 | H19 | 119.9° | 119.9° |
| C25 | C26 | H20 | 119.7° | 119.8° |
| C26 | C15 | N2 | 119.2° | 119.9° |
| C26 | C15 | C16 | 119.7° | 120.2° |
| C15 | C26 | H20 | 119.7° | 119.8° |
| C14 | N2 | C15 | 132.9° | 120.0° |
| N2 | C14 | N6 | 118.0° | 119.2° |
| C14 | N2 | H27 | 113.5° | 120.0° |
| N2 | C15 | C16 | 121.1° | 119.9° |
| C15 | N2 | H27 | 113.5° | 120.0° |
| C13 | C12 | C11 | 114.3° | 118.5° |
| C13 | C12 | H4 | 122.8° | 120.8° |
| C12 | C13 | H5 | 118.0° | 120.3° |
| C25 | C19 | N4 | 122.5° | 120.1° |
| C25 | C19 | C17 | 119.1° | 119.8° |
| C19 | C25 | H19 | 119.9° | 119.9° |
| C14 | N6 | C11 | 115.2° | 120.7° |
| C15 | C16 | C17 | 119.8° | 119.9° |
| C15 | C16 | H6 | 120.1° | 120.1° |
| C12 | C11 | N6 | 124.5° | 119.1° |
| C12 | C11 | O | 116.4° | 120.5° |
| C11 | C12 | H4 | 122.8° | 120.8° |
| N4 | C19 | C17 | 118.4° | 120.1° |
| C19 | N4 | C20 | 115.6° | 111.0° |
| C19 | N4 | C24 | 117.1° | 111.0° |
| C19 | C17 | C16 | 120.5° | 119.6° |
| C19 | C17 | C18 | 120.2° | 120.1° |
| N6 | C11 | O | 119.1° | 120.5° |
| C16 | C17 | C18 | 119.2° | 120.3° |
| C17 | C16 | H6 | 120.1° | 120.0° |
| N4 | C20 | C21 | 110.2° | 109.3° |
| C20 | N4 | C24 | 111.6° | 111.3° |
| N4 | C20 | H8 | 109.3° | 109.5° |
| N4 | C20 | H9 | 109.3° | 109.5° |
| C20 | C21 | N5 | 109.2° | 108.5° |
| C21 | C20 | H8 | 109.3° | 109.5° |
| C21 | C20 | H9 | 109.3° | 109.5° |
| C20 | C21 | H10 | 109.5° | 109.6° |
| C20 | C21 | H11 | 109.5° | 109.6° |
| N4 | C24 | C23 | 110.6° | 109.4° |
| N4 | C24 | H17 | 109.2° | 109.5° |
| N4 | C24 | H18 | 109.2° | 109.5° |
| C24 | C23 | N5 | 109.1° | 108.5° |
| C24 | C23 | H15 | 109.6° | 109.7° |
| C24 | C23 | H16 | 109.6° | 109.8° |
| C23 | C24 | H17 | 109.2° | 109.5° |
| C23 | C24 | H18 | 109.2° | 109.5° |
| C11 | O | C10 | 117.8° | 118.0° |
| C23 | N5 | C21 | 112.5° | 118.2° |
| C23 | N5 | S | 116.4° | 120.9° |
| N5 | C23 | H15 | 109.6° | 109.6° |
| N5 | C23 | H16 | 109.6° | 109.6° |
| C17 | C18 | N3 | 178.0° | 179.9° |
| C21 | N5 | S | 115.9° | 120.8° |
| N5 | C21 | H10 | 109.6° | 109.6° |
| N5 | C21 | H11 | 109.5° | 109.7° |
| O2 | S | N5 | 106.8° | 104.3° |
| O2 | S | O1 | 118.9° | 121.0° |
| O2 | S | C22 | 108.2° | 110.5° |
| N5 | S | O1 | 107.0° | 104.3° |
| N5 | S | C22 | 107.1° | 104.5° |
| O | C10 | C1 | 118.4° | 119.9° |
| O | C10 | C8 | 118.6° | 119.8° |
| C | C1 | C10 | 121.9° | 119.9° |
| C | C1 | C2 | 120.7° | 119.9° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.4° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| O1 | S | C22 | 108.3° | 110.6° |
| S | C22 | H12 | 109.5° | 109.5° |
| S | C22 | H13 | 109.5° | 109.5° |
| S | C22 | H14 | 109.5° | 109.5° |
| C1 | C10 | C8 | 123.0° | 120.2° |
| C10 | C1 | C2 | 117.4° | 120.1° |
| C10 | C8 | C9 | 122.1° | 120.0° |
| C10 | C8 | C7 | 117.5° | 120.1° |
| C1 | C2 | C3 | 121.8° | 119.9° |
| C1 | C2 | H7 | 119.1° | 120.0° |
| C9 | C8 | C7 | 120.4° | 119.9° |
| C8 | C9 | H24 | 109.5° | 109.5° |
| C8 | C9 | H25 | 109.5° | 109.5° |
| C8 | C9 | H26 | 109.5° | 109.5° |
| C8 | C7 | C3 | 121.8° | 119.8° |
| C8 | C7 | H23 | 119.1° | 120.1° |
| C2 | C3 | C7 | 118.5° | 119.8° |
| C2 | C3 | C4 | 121.6° | 120.1° |
| C3 | C2 | H7 | 119.1° | 120.1° |
| C7 | C3 | C4 | 119.9° | 120.1° |
| C3 | C7 | H23 | 119.1° | 120.1° |
| C3 | C4 | C5 | 125.7° | 120.0° |
| C3 | C4 | H21 | 117.1° | 120.0° |
| C4 | C5 | C6 | 119.4° | 120.0° |
| C5 | C4 | H21 | 117.1° | 120.0° |
| C4 | C5 | H22 | 120.3° | 120.0° |
| C5 | C6 | N | 178.4° | 180.0° |
| C6 | C5 | H22 | 120.3° | 120.0° |
| H1 | C | H2 | 109.5° | 109.5° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H10 | C21 | H11 | 109.4° | 109.8° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H12 | C22 | H14 | 109.4° | 109.4° |
| H13 | C22 | H14 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.4° | 109.6° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H24 | C9 | H25 | 109.4° | 109.4° |
| H24 | C9 | H26 | 109.4° | 109.4° |
| H25 | C9 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | N1 | C14 | N2 | 179.6° | 179.8° |
| N1 | C13 | C12 | H5 | 180.0° | 180.0° |
| C13 | N1 | C14 | N6 | 0.1° | 0.3° |
| N1 | C13 | C12 | C11 | 0.0° | 0.0° |
| N1 | C13 | C12 | H4 | 180.0° | 180.0° |
| N1 | C14 | N2 | N6 | 179.8° | 179.5° |
| N1 | C14 | N2 | C15 | 164.3° | 6.0° |
| C14 | N1 | C13 | C12 | 0.2° | 0.0° |
| N1 | C14 | N6 | C11 | 0.2° | 0.5° |
| C14 | N1 | C13 | H5 | 179.8° | 180.0° |
| N1 | C14 | N2 | H27 | 15.7° | 173.9° |
| C25 | C26 | C15 | H20 | 180.0° | 180.0° |
| C25 | C26 | C15 | N2 | 179.1° | 179.7° |
| C26 | C25 | C19 | H19 | 180.0° | 179.9° |
| C25 | C26 | C15 | C16 | 0.3° | 0.0° |
| C26 | C25 | C19 | N4 | 177.9° | 180.0° |
| C26 | C25 | C19 | C17 | 0.4° | 0.1° |
| C26 | C15 | N2 | C14 | 158.8° | 33.8° |
| C26 | C15 | N2 | C16 | 179.4° | 179.7° |
| C15 | C26 | C25 | C19 | 0.0° | 0.1° |
| C26 | C15 | C16 | C17 | 0.2° | 0.0° |
| C26 | C15 | C16 | H6 | 179.8° | 179.9° |
| C15 | C26 | C25 | H19 | 180.0° | 180.0° |
| C26 | C15 | N2 | H27 | 21.2° | 146.2° |
| C14 | N2 | C15 | H27 | 180.0° | 180.0° |
| C14 | N2 | C15 | C16 | 21.8° | 146.5° |
| N2 | C14 | N6 | C11 | 179.9° | 180.0° |
| C15 | N2 | C14 | N6 | 16.0° | 174.5° |
| N2 | C15 | C16 | C17 | 179.2° | 179.7° |
| N2 | C15 | C16 | H6 | 0.8° | 0.4° |
| N2 | C15 | C26 | H20 | 0.9° | 0.2° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | N6 | 0.3° | 0.2° |
| C13 | C12 | C11 | O | 178.4° | 180.0° |
| C25 | C19 | N4 | C17 | 178.4° | 179.9° |
| C25 | C19 | C17 | C16 | 0.6° | 0.0° |
| C25 | C19 | N4 | C20 | 80.8° | 60.0° |
| C25 | C19 | N4 | C24 | 53.9° | 64.2° |
| C25 | C19 | C17 | C18 | 179.1° | 180.0° |
| C19 | C25 | C26 | H20 | 180.0° | 179.9° |
| C14 | N6 | C11 | C12 | 0.4° | 0.5° |
| C14 | N6 | C11 | O | 178.3° | 179.7° |
| N6 | C14 | N2 | H27 | 164.1° | 5.5° |
| C15 | C16 | C17 | C19 | 0.2° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C16 | C15 | C26 | H20 | 179.7° | 179.9° |
| C16 | C15 | N2 | H27 | 158.2° | 33.5° |
| C12 | C11 | N6 | O | 178.7° | 179.8° |
| C12 | C11 | O | C10 | 165.5° | 180.0° |
| C11 | C12 | C13 | H5 | 180.0° | 180.0° |
| N4 | C19 | C17 | C16 | 177.9° | 180.0° |
| C19 | N4 | C20 | C24 | 137.1° | 124.1° |
| C19 | N4 | C20 | C21 | 156.0° | 172.8° |
| C19 | N4 | C24 | C23 | 158.7° | 172.8° |
| N4 | C19 | C17 | C18 | 2.5° | 0.1° |
| C19 | N4 | C20 | H8 | 35.9° | 67.3° |
| C19 | N4 | C20 | H9 | 83.9° | 52.8° |
| C19 | N4 | C24 | H17 | 38.5° | 52.8° |
| C19 | N4 | C24 | H18 | 81.2° | 67.3° |
| N4 | C19 | C25 | H19 | 2.0° | 0.1° |
| C19 | C17 | C16 | C18 | 179.7° | 180.0° |
| C17 | C19 | N4 | C20 | 97.6° | 120.0° |
| C17 | C19 | N4 | C24 | 127.7° | 115.7° |
| C19 | C17 | C18 | N3 | 0.8° | 169.3° |
| C19 | C17 | C16 | H6 | 179.8° | 180.0° |
| C17 | C19 | C25 | H19 | 179.6° | 180.0° |
| N6 | C11 | O | C10 | 15.7° | 0.2° |
| N6 | C11 | C12 | H4 | 179.6° | 179.7° |
| C16 | C17 | C18 | N3 | 178.9° | 10.7° |
| N4 | C20 | C21 | H8 | 120.1° | 120.0° |
| N4 | C20 | C21 | H9 | 120.1° | 120.0° |
| C20 | N4 | C24 | C23 | 22.2° | 63.1° |
| N4 | C20 | C21 | N5 | 42.0° | 53.8° |
| N4 | C20 | H8 | H9 | 119.7° | 120.1° |
| N4 | C20 | C21 | H10 | 78.0° | 65.9° |
| N4 | C20 | C21 | H11 | 161.9° | 173.6° |
| C20 | N4 | C24 | H17 | 97.9° | 176.9° |
| C20 | N4 | C24 | H18 | 142.4° | 56.9° |
| C21 | C20 | N4 | C24 | 66.9° | 63.1° |
| C20 | C21 | N5 | C23 | 21.9° | 51.2° |
| C20 | C21 | N5 | H10 | 120.0° | 119.7° |
| C20 | C21 | N5 | H11 | 120.0° | 119.7° |
| C20 | C21 | N5 | S | 159.3° | 128.8° |
| C21 | C20 | H8 | H9 | 119.7° | 120.0° |
| C20 | C21 | H10 | H11 | 120.1° | 120.5° |
| N4 | C24 | C23 | H17 | 120.2° | 120.0° |
| N4 | C24 | C23 | H18 | 120.2° | 120.0° |
| N4 | C24 | C23 | N5 | 40.6° | 53.8° |
| C24 | N4 | C20 | H8 | 173.0° | 56.9° |
| C24 | N4 | C20 | H9 | 53.2° | 176.9° |
| N4 | C24 | C23 | H15 | 79.4° | 173.6° |
| N4 | C24 | C23 | H16 | 160.5° | 66.0° |
| N4 | C24 | H17 | H18 | 119.5° | 120.1° |
| C24 | C23 | N5 | H15 | 120.0° | 119.8° |
| C24 | C23 | N5 | H16 | 119.9° | 119.9° |
| C24 | C23 | N5 | C21 | 65.4° | 51.2° |
| C24 | C23 | N5 | S | 157.4° | 128.8° |
| C24 | C23 | H15 | H16 | 120.2° | 120.6° |
| C23 | C24 | H17 | H18 | 119.5° | 120.0° |
| C11 | O | C10 | C1 | 94.0° | 90.0° |
| C11 | O | C10 | C8 | 87.8° | 90.1° |
| O | C11 | C12 | H4 | 1.6° | 0.1° |
| C23 | N5 | C21 | S | 137.4° | 180.0° |
| C23 | N5 | S | O2 | 39.2° | 26.1° |
| C23 | N5 | S | O1 | 167.5° | 153.9° |
| C23 | N5 | S | C22 | 76.6° | 90.0° |
| C23 | N5 | C21 | H10 | 141.8° | 68.5° |
| C23 | N5 | C21 | H11 | 98.1° | 170.8° |
| N5 | C23 | H15 | H16 | 120.2° | 120.3° |
| N5 | C23 | C24 | H17 | 160.7° | 173.8° |
| N5 | C23 | C24 | H18 | 79.6° | 66.1° |
| C18 | C17 | C16 | H6 | 0.6° | 0.1° |
| C21 | N5 | S | O2 | 96.5° | 153.9° |
| C21 | N5 | S | O1 | 31.7° | 26.1° |
| C21 | N5 | S | C22 | 147.7° | 90.0° |
| N5 | C21 | C20 | H8 | 162.1° | 66.2° |
| N5 | C21 | C20 | H9 | 78.2° | 173.8° |
| N5 | C21 | H10 | H11 | 120.1° | 120.5° |
| C21 | N5 | C23 | H15 | 54.6° | 170.9° |
| C21 | N5 | C23 | H16 | 174.7° | 68.8° |
| O2 | S | N5 | O1 | 128.3° | 127.9° |
| O2 | S | N5 | C22 | 115.8° | 116.0° |
| O2 | S | O1 | C22 | 123.9° | 131.5° |
| O2 | S | C22 | H12 | 180.0° | 51.6° |
| O2 | S | C22 | H13 | 60.0° | 68.4° |
| O2 | S | C22 | H14 | 60.0° | 171.6° |
| N5 | S | O1 | C22 | 115.2° | 111.8° |
| S | N5 | C21 | H10 | 80.8° | 111.5° |
| S | N5 | C21 | H11 | 39.3° | 9.2° |
| N5 | S | C22 | H12 | 65.2° | 60.0° |
| N5 | S | C22 | H13 | 174.8° | 180.0° |
| N5 | S | C22 | H14 | 54.8° | 60.0° |
| S | N5 | C23 | H15 | 82.6° | 9.1° |
| S | N5 | C23 | H16 | 37.5° | 111.2° |
| O | C10 | C1 | C | 2.4° | 0.1° |
| O | C10 | C1 | C8 | 178.1° | 179.9° |
| O | C10 | C1 | C2 | 177.5° | 179.7° |
| O | C10 | C8 | C9 | 2.1° | 0.0° |
| O | C10 | C8 | C7 | 177.5° | 180.0° |
| C | C1 | C10 | C2 | 180.0° | 179.7° |
| C | C1 | C10 | C8 | 179.5° | 180.0° |
| C | C1 | C2 | C3 | 180.0° | 180.0° |
| C1 | C | H1 | H2 | 120.0° | 120.0° |
| C1 | C | H1 | H3 | 120.0° | 120.0° |
| C1 | C | H2 | H3 | 120.0° | 119.9° |
| C | C1 | C2 | H7 | 0.0° | 0.0° |
| O1 | S | C22 | H12 | 49.9° | 171.6° |
| O1 | S | C22 | H13 | 70.1° | 68.3° |
| O1 | S | C22 | H14 | 169.9° | 51.7° |
| S | C22 | H12 | H13 | 120.0° | 120.1° |
| S | C22 | H12 | H14 | 120.0° | 120.0° |
| S | C22 | H13 | H14 | 120.0° | 120.0° |
| C1 | C10 | C8 | C9 | 179.8° | 179.9° |
| C1 | C10 | C8 | C7 | 0.5° | 0.1° |
| C10 | C1 | C2 | C3 | 0.0° | 0.3° |
| C10 | C1 | C | H1 | 90.0° | 89.7° |
| C10 | C1 | C | H2 | 150.0° | 30.3° |
| C10 | C1 | C | H3 | 30.0° | 150.3° |
| C10 | C1 | C2 | H7 | 180.0° | 179.7° |
| C8 | C10 | C1 | C2 | 0.5° | 0.4° |
| C10 | C8 | C9 | C7 | 179.7° | 180.0° |
| C10 | C8 | C7 | C3 | 0.0° | 0.3° |
| C10 | C8 | C7 | H23 | 180.0° | 179.9° |
| C10 | C8 | C9 | H24 | 89.8° | 90.0° |
| C10 | C8 | C9 | H25 | 150.2° | 150.0° |
| C10 | C8 | C9 | H26 | 30.2° | 30.0° |
| C1 | C2 | C3 | H7 | 180.0° | 180.0° |
| C1 | C2 | C3 | C7 | 0.4° | 0.0° |
| C1 | C2 | C3 | C4 | 178.9° | 179.9° |
| C2 | C1 | C | H1 | 90.0° | 90.0° |
| C2 | C1 | C | H2 | 30.0° | 150.0° |
| C2 | C1 | C | H3 | 149.9° | 30.1° |
| C9 | C8 | C7 | C3 | 179.7° | 179.7° |
| C9 | C8 | C7 | H23 | 0.3° | 0.1° |
| C8 | C9 | H24 | H25 | 120.0° | 120.0° |
| C8 | C9 | H24 | H26 | 120.0° | 120.0° |
| C8 | C9 | H25 | H26 | 120.0° | 120.0° |
| C8 | C7 | C3 | C2 | 0.4° | 0.3° |
| C8 | C7 | C3 | H23 | 180.0° | 179.7° |
| C8 | C7 | C3 | C4 | 178.9° | 179.8° |
| C7 | C8 | C9 | H24 | 89.8° | 90.0° |
| C7 | C8 | C9 | H25 | 30.1° | 30.0° |
| C7 | C8 | C9 | H26 | 150.2° | 150.0° |
| C2 | C3 | C7 | C4 | 179.3° | 179.9° |
| C2 | C3 | C4 | C5 | 0.7° | 180.0° |
| C2 | C3 | C4 | H21 | 179.3° | 0.0° |
| C2 | C3 | C7 | H23 | 179.5° | 180.0° |
| C7 | C3 | C4 | C5 | 179.9° | 0.1° |
| C7 | C3 | C2 | H7 | 179.6° | 180.0° |
| C7 | C3 | C4 | H21 | 0.1° | 180.0° |
| C3 | C4 | C5 | H21 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 179.8° | 179.9° |
| C4 | C3 | C2 | H7 | 1.1° | 0.0° |
| C3 | C4 | C5 | H22 | 0.1° | 0.0° |
| C4 | C3 | C7 | H23 | 1.2° | 0.1° |
| C4 | C5 | C6 | H22 | 180.0° | 180.0° |
| C4 | C5 | C6 | N | 0.9° | 94.4° |
| C6 | C5 | C4 | H21 | 0.1° | 0.0° |
| N | C6 | C5 | H22 | 179.0° | 85.6° |
| H1 | C | H2 | H3 | 120.0° | 120.1° |
| H4 | C12 | C13 | H5 | 0.0° | 0.1° |
| H8 | C20 | C21 | H10 | 42.1° | 174.1° |
| H8 | C20 | C21 | H11 | 78.0° | 53.5° |
| H9 | C20 | C21 | H10 | 161.9° | 54.1° |
| H9 | C20 | C21 | H11 | 41.8° | 66.5° |
| H12 | C22 | H13 | H14 | 120.0° | 119.9° |
| H15 | C23 | C24 | H17 | 40.8° | 66.5° |
| H15 | C23 | C24 | H18 | 160.4° | 53.6° |
| H16 | C23 | C24 | H17 | 79.3° | 54.0° |
| H16 | C23 | C24 | H18 | 40.3° | 174.1° |
| H19 | C25 | C26 | H20 | 0.0° | 0.0° |
| H21 | C4 | C5 | H22 | 179.9° | 180.0° |
| H24 | C9 | H25 | H26 | 120.0° | 119.9° |
