7B2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C12 | sing | 1.51Å | 1.49Å | |
| C14 | N3 | sing | 1.46Å | 1.47Å | |
| C12 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | C11 | doub | 1.37Å | 1.40Å | Aromatic |
| N3 | C15 | sing | 1.35Å | 1.39Å | Aromatic |
| N | N1 | sing | 1.29Å | 1.38Å | Aromatic |
| N | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C11 | C17 | sing | 1.48Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C15 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | N2 | doub | 1.31Å | 1.31Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.32Å | Aromatic |
| C26 | N8 | sing | 1.47Å | 1.47Å | |
| C24 | N8 | sing | 1.36Å | 1.38Å | Aromatic |
| C24 | C4 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.41Å | 1.45Å | Aromatic |
| N8 | C1 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.48Å | 1.47Å | |
| C5 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C2 | sing | 1.48Å | 1.45Å | Aromatic |
| N2 | C9 | sing | 1.47Å | 1.45Å | |
| N2 | N4 | sing | 1.28Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.46Å | 1.45Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C6 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.42Å | Aromatic |
| O | C3 | doub | 1.21Å | 1.22Å | |
| C18 | N4 | doub | 1.31Å | 1.30Å | Aromatic |
| C18 | CL | sing | 1.74Å | 1.72Å | |
| N7 | N6 | sing | 1.39Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.35Å | 1.38Å | Aromatic |
| C7 | C22 | sing | 1.48Å | 1.45Å | Aromatic |
| C8 | N5 | sing | 1.36Å | 1.38Å | Aromatic |
| N6 | C23 | doub | 1.30Å | 1.29Å | Aromatic |
| N5 | C19 | sing | 1.46Å | 1.46Å | |
| N5 | C20 | sing | 1.36Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.46Å | 1.42Å | Aromatic |
| C22 | C20 | doub | 1.36Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.49Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C3 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | N3 | 126.1° | 125.6° |
| C13 | C12 | C11 | 126.2° | 125.7° |
| C12 | C13 | H10 | 109.5° | 109.5° |
| C12 | C13 | H11 | 109.5° | 109.4° |
| C12 | C13 | H12 | 109.5° | 109.5° |
| C14 | N3 | C12 | 126.2° | 124.4° |
| C14 | N3 | C15 | 123.2° | 124.4° |
| N3 | C14 | H7 | 109.5° | 109.5° |
| N3 | C14 | H8 | 109.5° | 109.5° |
| N3 | C14 | H9 | 109.5° | 109.5° |
| N3 | C12 | C11 | 107.7° | 108.6° |
| C12 | N3 | C15 | 110.6° | 111.2° |
| C12 | C11 | C10 | 132.0° | 137.4° |
| C12 | C11 | C17 | 107.2° | 105.7° |
| N3 | C15 | C16 | 122.4° | 125.7° |
| N3 | C15 | C17 | 107.0° | 108.6° |
| N1 | N | C5 | 107.9° | 110.0° |
| N | N1 | C6 | 107.8° | 109.9° |
| N | C5 | C4 | 125.6° | 126.4° |
| N | C5 | N7 | 109.2° | 107.3° |
| C10 | C11 | C17 | 120.6° | 116.9° |
| C11 | C10 | N2 | 116.7° | 118.8° |
| C11 | C10 | H13 | 121.7° | 120.6° |
| C11 | C17 | C15 | 107.4° | 105.8° |
| C11 | C17 | C18 | 114.6° | 116.8° |
| C25 | C24 | N8 | 122.1° | 125.5° |
| C25 | C24 | C4 | 131.0° | 125.6° |
| C24 | C25 | H24 | 109.5° | 109.4° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H26 | 109.5° | 109.5° |
| C16 | C15 | C17 | 130.6° | 125.7° |
| C15 | C16 | H4 | 109.5° | 109.4° |
| C15 | C16 | H5 | 109.5° | 109.4° |
| C15 | C16 | H6 | 109.5° | 109.4° |
| C15 | C17 | C18 | 138.0° | 137.4° |
| C10 | N2 | C9 | 123.2° | 117.8° |
| C10 | N2 | N4 | 126.1° | 124.4° |
| N2 | C10 | H13 | 121.7° | 120.6° |
| N1 | C6 | N7 | 109.3° | 107.4° |
| N1 | C6 | C7 | 134.9° | 133.8° |
| C26 | N8 | C24 | 124.3° | 124.7° |
| C26 | N8 | C1 | 124.9° | 124.6° |
| N8 | C26 | H27 | 109.5° | 109.4° |
| N8 | C26 | H28 | 109.5° | 109.4° |
| N8 | C26 | H29 | 109.5° | 109.5° |
| N8 | C24 | C4 | 106.9° | 108.9° |
| C24 | N8 | C1 | 110.8° | 110.7° |
| C24 | C4 | C5 | 126.8° | 127.0° |
| C24 | C4 | C2 | 108.1° | 106.0° |
| C17 | C18 | N4 | 123.9° | 118.8° |
| C17 | C18 | CL | 119.0° | 120.6° |
| N8 | C1 | C2 | 107.4° | 108.5° |
| N8 | C1 | C | 122.3° | 125.7° |
| C4 | C5 | N7 | 125.0° | 126.4° |
| C5 | C4 | C2 | 125.1° | 127.0° |
| C5 | N7 | C6 | 105.7° | 105.4° |
| C5 | N7 | N6 | 125.6° | 132.6° |
| C4 | C2 | C1 | 106.8° | 105.8° |
| C4 | C2 | C3 | 127.3° | 127.1° |
| C9 | N2 | N4 | 110.3° | 117.8° |
| N2 | C9 | C8 | 113.4° | 109.5° |
| N2 | C9 | H14 | 108.5° | 109.4° |
| N2 | C9 | H15 | 108.5° | 109.5° |
| N2 | N4 | C18 | 117.3° | 124.3° |
| C2 | C1 | C | 130.3° | 125.8° |
| C1 | C2 | C3 | 125.9° | 127.1° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H3 | 109.5° | 109.5° |
| C2 | C3 | O | 125.1° | 120.0° |
| C2 | C3 | H23 | 117.5° | 120.0° |
| C9 | C8 | C7 | 126.2° | 125.7° |
| C9 | C8 | N5 | 124.8° | 125.7° |
| C8 | C9 | H14 | 108.5° | 109.5° |
| C8 | C9 | H15 | 108.5° | 109.5° |
| N7 | C6 | C7 | 115.8° | 118.7° |
| C6 | N7 | N6 | 128.6° | 122.0° |
| C6 | C7 | C8 | 136.2° | 136.4° |
| C6 | C7 | C22 | 117.0° | 117.4° |
| O | C3 | H23 | 117.4° | 120.0° |
| N4 | C18 | CL | 117.1° | 120.6° |
| N7 | N6 | C23 | 115.2° | 123.7° |
| C8 | C7 | C22 | 106.8° | 106.3° |
| C7 | C8 | N5 | 108.9° | 108.5° |
| C7 | C22 | C23 | 119.3° | 118.0° |
| C7 | C22 | C20 | 107.0° | 106.1° |
| C8 | N5 | C19 | 127.6° | 124.7° |
| C8 | N5 | C20 | 108.9° | 110.6° |
| N6 | C23 | C22 | 124.1° | 120.3° |
| N6 | C23 | H22 | 118.0° | 119.8° |
| C19 | N5 | C20 | 123.4° | 124.7° |
| N5 | C19 | H16 | 109.5° | 109.5° |
| N5 | C19 | H17 | 109.5° | 109.5° |
| N5 | C19 | H18 | 109.5° | 109.4° |
| N5 | C20 | C22 | 108.3° | 108.5° |
| N5 | C20 | C21 | 121.9° | 125.7° |
| C23 | C22 | C20 | 133.7° | 135.9° |
| C22 | C23 | H22 | 117.9° | 119.9° |
| C22 | C20 | C21 | 129.8° | 125.8° |
| C20 | C21 | H19 | 109.5° | 109.5° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.6° |
| H1 | C | H2 | 109.5° | 109.4° |
| H1 | C | H3 | 109.5° | 109.5° |
| H2 | C | H3 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H4 | C16 | H6 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.4° | 109.4° |
| H7 | C14 | H9 | 109.5° | 109.5° |
| H8 | C14 | H9 | 109.5° | 109.5° |
| H10 | C13 | H11 | 109.5° | 109.5° |
| H10 | C13 | H12 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.4° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C19 | H17 | 109.4° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.4° | 109.4° |
| H19 | C21 | H20 | 109.4° | 109.4° |
| H19 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H27 | C26 | H28 | 109.5° | 109.5° |
| H27 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | N3 | C14 | 6.5° | 0.0° |
| C13 | C12 | N3 | C11 | 177.3° | 179.8° |
| C13 | C12 | N3 | C15 | 174.9° | 180.0° |
| C13 | C12 | C11 | C10 | 0.7° | 0.3° |
| C13 | C12 | C11 | C17 | 174.5° | 179.9° |
| C12 | C13 | H10 | H11 | 120.0° | 120.0° |
| C12 | C13 | H10 | H12 | 120.0° | 120.0° |
| C12 | C13 | H11 | H12 | 120.0° | 119.9° |
| C14 | N3 | C12 | C15 | 178.7° | 180.0° |
| C14 | N3 | C12 | C11 | 176.2° | 179.8° |
| C14 | N3 | C15 | C16 | 3.2° | 0.0° |
| C14 | N3 | C15 | C17 | 177.6° | 180.0° |
| N3 | C14 | H7 | H8 | 120.0° | 120.0° |
| N3 | C14 | H7 | H9 | 120.0° | 120.1° |
| N3 | C14 | H8 | H9 | 120.0° | 120.1° |
| N3 | C12 | C11 | C10 | 178.0° | 179.9° |
| N3 | C12 | C11 | C17 | 2.8° | 0.3° |
| C12 | N3 | C15 | C16 | 178.1° | 180.0° |
| C12 | N3 | C15 | C17 | 1.1° | 0.0° |
| C12 | N3 | C14 | H7 | 180.0° | 90.0° |
| C12 | N3 | C14 | H8 | 60.0° | 29.9° |
| C12 | N3 | C14 | H9 | 60.0° | 150.0° |
| N3 | C12 | C13 | H10 | 91.6° | 90.0° |
| N3 | C12 | C13 | H11 | 148.4° | 150.0° |
| N3 | C12 | C13 | H12 | 28.5° | 30.1° |
| C11 | C12 | N3 | C15 | 2.5° | 0.2° |
| C12 | C11 | C10 | C17 | 174.7° | 179.5° |
| C12 | C11 | C17 | C15 | 2.2° | 0.3° |
| C12 | C11 | C10 | N2 | 168.5° | 179.4° |
| C12 | C11 | C17 | C18 | 177.4° | 179.8° |
| C11 | C12 | C13 | H10 | 91.6° | 90.3° |
| C11 | C12 | C13 | H11 | 28.4° | 29.8° |
| C11 | C12 | C13 | H12 | 148.4° | 149.7° |
| C12 | C11 | C10 | H13 | 11.6° | 0.5° |
| N3 | C15 | C17 | C11 | 0.7° | 0.2° |
| N3 | C15 | C16 | C17 | 179.0° | 179.9° |
| N3 | C15 | C17 | C18 | 178.6° | 180.0° |
| N3 | C15 | C16 | H4 | 89.5° | 90.0° |
| N3 | C15 | C16 | H5 | 150.4° | 30.0° |
| N3 | C15 | C16 | H6 | 30.4° | 150.0° |
| C15 | N3 | C14 | H7 | 1.5° | 90.0° |
| C15 | N3 | C14 | H8 | 118.5° | 150.1° |
| C15 | N3 | C14 | H9 | 121.5° | 30.0° |
| N1 | N | C5 | C4 | 174.1° | 180.0° |
| N1 | N | C5 | N7 | 1.5° | 0.0° |
| N | N1 | C6 | N7 | 0.5° | 0.0° |
| N | N1 | C6 | C7 | 178.5° | 180.0° |
| C5 | N | N1 | C6 | 1.3° | 0.0° |
| N | C5 | C4 | C24 | 64.1° | 46.4° |
| N | C5 | C4 | N7 | 175.0° | 180.0° |
| N | C5 | C4 | C2 | 114.0° | 133.2° |
| N | C5 | N7 | C6 | 1.2° | 0.0° |
| N | C5 | N7 | N6 | 179.7° | 179.9° |
| C10 | C11 | C17 | C15 | 178.0° | 180.0° |
| C11 | C10 | N2 | H13 | 180.0° | 179.9° |
| C10 | C11 | C17 | C18 | 1.5° | 0.2° |
| C11 | C10 | N2 | C9 | 177.7° | 179.9° |
| C11 | C10 | N2 | N4 | 10.2° | 0.3° |
| C11 | C17 | C15 | C16 | 179.8° | 179.8° |
| C11 | C17 | C15 | C18 | 179.3° | 179.8° |
| C17 | C11 | C10 | N2 | 6.2° | 0.1° |
| C11 | C17 | C18 | N4 | 6.7° | 0.2° |
| C11 | C17 | C18 | CL | 173.7° | 179.8° |
| C17 | C11 | C10 | H13 | 173.8° | 180.0° |
| C25 | C24 | N8 | C26 | 0.3° | 0.2° |
| C25 | C24 | N8 | C4 | 179.1° | 179.8° |
| C25 | C24 | N8 | C1 | 179.1° | 180.0° |
| C25 | C24 | C4 | C5 | 0.7° | 0.3° |
| C25 | C24 | C4 | C2 | 179.1° | 179.9° |
| C24 | C25 | H24 | H25 | 120.0° | 120.0° |
| C24 | C25 | H24 | H26 | 120.0° | 120.0° |
| C24 | C25 | H25 | H26 | 120.0° | 120.0° |
| C16 | C15 | C17 | C18 | 0.5° | 0.0° |
| C15 | C16 | H4 | H5 | 120.0° | 120.0° |
| C15 | C16 | H4 | H6 | 120.0° | 119.9° |
| C15 | C16 | H5 | H6 | 120.0° | 119.9° |
| C15 | C17 | C18 | N4 | 172.6° | 180.0° |
| C15 | C17 | C18 | CL | 7.0° | 0.0° |
| C17 | C15 | C16 | H4 | 89.4° | 89.9° |
| C17 | C15 | C16 | H5 | 30.6° | 150.0° |
| C17 | C15 | C16 | H6 | 150.6° | 30.1° |
| C10 | N2 | C9 | N4 | 173.2° | 179.8° |
| C10 | N2 | C9 | C8 | 89.1° | 125.3° |
| C10 | N2 | N4 | C18 | 5.4° | 0.3° |
| C10 | N2 | C9 | H14 | 150.3° | 114.8° |
| C10 | N2 | C9 | H15 | 31.5° | 5.2° |
| N1 | C6 | N7 | C5 | 0.4° | 0.0° |
| N1 | C6 | N7 | C7 | 178.4° | 179.9° |
| N1 | C6 | N7 | N6 | 178.8° | 179.9° |
| N1 | C6 | C7 | C8 | 0.6° | 0.0° |
| N1 | C6 | C7 | C22 | 178.5° | 179.9° |
| C26 | N8 | C24 | C1 | 179.5° | 179.9° |
| C26 | N8 | C24 | C4 | 179.4° | 179.9° |
| C26 | N8 | C1 | C2 | 179.5° | 179.9° |
| C26 | N8 | C1 | C | 0.4° | 0.2° |
| N8 | C26 | H27 | H28 | 120.0° | 120.0° |
| N8 | C26 | H27 | H29 | 120.0° | 120.0° |
| N8 | C26 | H28 | H29 | 120.0° | 120.0° |
| N8 | C24 | C4 | C5 | 178.3° | 180.0° |
| N8 | C24 | C4 | C2 | 0.1° | 0.3° |
| C24 | N8 | C1 | C2 | 0.0° | 0.0° |
| C24 | N8 | C1 | C | 179.9° | 180.0° |
| N8 | C24 | C25 | H24 | 89.5° | 90.1° |
| N8 | C24 | C25 | H25 | 150.4° | 150.0° |
| N8 | C24 | C25 | H26 | 30.5° | 29.9° |
| C24 | N8 | C26 | H27 | 180.0° | 90.0° |
| C24 | N8 | C26 | H28 | 60.0° | 150.0° |
| C24 | N8 | C26 | H29 | 60.0° | 30.0° |
| C4 | C24 | N8 | C1 | 0.0° | 0.2° |
| C24 | C4 | C5 | C2 | 178.1° | 179.6° |
| C24 | C4 | C5 | N7 | 110.9° | 133.6° |
| C24 | C4 | C2 | C1 | 0.1° | 0.3° |
| C24 | C4 | C2 | C3 | 178.9° | 179.7° |
| C4 | C24 | C25 | H24 | 89.3° | 90.2° |
| C4 | C24 | C25 | H25 | 30.7° | 29.8° |
| C4 | C24 | C25 | H26 | 150.7° | 149.8° |
| C17 | C18 | N4 | N2 | 3.8° | 0.1° |
| C17 | C18 | N4 | CL | 179.5° | 179.9° |
| N8 | C1 | C2 | C4 | 0.1° | 0.2° |
| N8 | C1 | C2 | C | 179.9° | 180.0° |
| N8 | C1 | C2 | C3 | 178.9° | 179.8° |
| N8 | C1 | C | H1 | 90.0° | 90.1° |
| N8 | C1 | C | H2 | 150.0° | 150.0° |
| N8 | C1 | C | H3 | 30.0° | 30.0° |
| C1 | N8 | C26 | H27 | 0.6° | 90.2° |
| C1 | N8 | C26 | H28 | 119.4° | 29.8° |
| C1 | N8 | C26 | H29 | 120.6° | 149.9° |
| C5 | C4 | C2 | C1 | 178.3° | 180.0° |
| C5 | C4 | C2 | C3 | 0.5° | 0.0° |
| C4 | C5 | N7 | C6 | 174.4° | 180.0° |
| C4 | C5 | N7 | N6 | 4.0° | 0.1° |
| N7 | C5 | C4 | C2 | 71.0° | 46.8° |
| C5 | N7 | C6 | N6 | 178.4° | 179.9° |
| C5 | N7 | C6 | C7 | 178.0° | 180.0° |
| C5 | N7 | N6 | C23 | 178.5° | 180.0° |
| C4 | C2 | C1 | C3 | 178.8° | 180.0° |
| C4 | C2 | C1 | C | 179.8° | 179.8° |
| C4 | C2 | C3 | O | 6.5° | 174.8° |
| C4 | C2 | C3 | H23 | 173.5° | 5.1° |
| N2 | C9 | C8 | H14 | 120.6° | 120.0° |
| N2 | C9 | C8 | H15 | 120.6° | 120.0° |
| C9 | N2 | N4 | C18 | 178.3° | 179.9° |
| N2 | C9 | C8 | C7 | 92.6° | 90.1° |
| N2 | C9 | C8 | N5 | 88.7° | 90.0° |
| C9 | N2 | C10 | H13 | 2.3° | 0.0° |
| N2 | C9 | H14 | H15 | 118.2° | 120.0° |
| N4 | N2 | C9 | C8 | 84.1° | 55.0° |
| N2 | N4 | C18 | CL | 176.7° | 180.0° |
| N4 | N2 | C10 | H13 | 169.8° | 179.7° |
| N4 | N2 | C9 | H14 | 36.5° | 65.0° |
| N4 | N2 | C9 | H15 | 155.3° | 175.0° |
| C1 | C2 | C3 | O | 172.0° | 5.2° |
| C2 | C1 | C | H1 | 90.1° | 89.9° |
| C2 | C1 | C | H2 | 29.9° | 30.0° |
| C2 | C1 | C | H3 | 149.9° | 150.0° |
| C1 | C2 | C3 | H23 | 8.0° | 174.9° |
| C | C1 | C2 | C3 | 1.0° | 0.2° |
| C1 | C | H1 | H2 | 120.0° | 119.9° |
| C1 | C | H1 | H3 | 120.0° | 120.1° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C2 | C3 | O | H23 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 3.1° | 0.1° |
| C9 | C8 | C7 | N5 | 178.8° | 180.0° |
| C9 | C8 | C7 | C22 | 178.9° | 180.0° |
| C9 | C8 | N5 | C19 | 2.2° | 0.1° |
| C9 | C8 | N5 | C20 | 178.6° | 179.9° |
| C8 | C9 | H14 | H15 | 118.2° | 120.0° |
| N7 | C6 | C7 | C8 | 177.2° | 180.0° |
| N7 | C6 | C7 | C22 | 0.6° | 0.0° |
| C6 | N7 | N6 | C23 | 0.5° | 0.0° |
| C7 | C6 | N7 | N6 | 0.4° | 0.0° |
| C6 | C7 | C8 | C22 | 178.0° | 179.9° |
| C6 | C7 | C8 | N5 | 178.0° | 179.9° |
| C6 | C7 | C22 | C23 | 0.1° | 0.1° |
| C6 | C7 | C22 | C20 | 178.7° | 180.0° |
| N7 | N6 | C23 | C22 | 1.1° | 0.1° |
| N7 | N6 | C23 | H22 | 178.9° | 180.0° |
| C7 | C8 | N5 | C19 | 179.0° | 179.9° |
| C7 | C8 | N5 | C20 | 0.2° | 0.0° |
| C8 | C7 | C22 | C23 | 178.4° | 180.0° |
| C8 | C7 | C22 | C20 | 0.3° | 0.1° |
| C7 | C8 | C9 | H14 | 146.7° | 150.0° |
| C7 | C8 | C9 | H15 | 27.9° | 30.0° |
| C22 | C7 | C8 | N5 | 0.0° | 0.0° |
| C7 | C22 | C23 | N6 | 0.9° | 0.1° |
| C7 | C22 | C20 | N5 | 0.4° | 0.1° |
| C7 | C22 | C23 | C20 | 178.2° | 179.9° |
| C7 | C22 | C20 | C21 | 178.7° | 180.0° |
| C7 | C22 | C23 | H22 | 179.1° | 180.0° |
| C8 | N5 | C19 | C20 | 179.1° | 179.8° |
| C8 | N5 | C20 | C22 | 0.4° | 0.1° |
| C8 | N5 | C20 | C21 | 178.8° | 180.0° |
| N5 | C8 | C9 | H14 | 31.9° | 30.0° |
| N5 | C8 | C9 | H15 | 150.7° | 150.0° |
| C8 | N5 | C19 | H16 | 180.0° | 89.9° |
| C8 | N5 | C19 | H17 | 60.0° | 150.0° |
| C8 | N5 | C19 | H18 | 60.0° | 30.1° |
| N6 | C23 | C22 | H22 | 180.0° | 179.9° |
| N6 | C23 | C22 | C20 | 177.3° | 180.0° |
| C19 | N5 | C20 | C22 | 178.8° | 180.0° |
| C19 | N5 | C20 | C21 | 1.9° | 0.2° |
| N5 | C19 | H16 | H17 | 120.0° | 120.1° |
| N5 | C19 | H16 | H18 | 120.0° | 120.0° |
| N5 | C19 | H17 | H18 | 120.0° | 120.0° |
| N5 | C20 | C22 | C23 | 178.0° | 180.0° |
| N5 | C20 | C22 | C21 | 179.2° | 179.9° |
| C20 | N5 | C19 | H16 | 0.9° | 89.9° |
| C20 | N5 | C19 | H17 | 119.1° | 30.1° |
| C20 | N5 | C19 | H18 | 120.9° | 150.1° |
| N5 | C20 | C21 | H19 | 89.6° | 90.1° |
| N5 | C20 | C21 | H20 | 150.4° | 150.0° |
| N5 | C20 | C21 | H21 | 30.4° | 29.9° |
| C23 | C22 | C20 | C21 | 2.9° | 0.1° |
| C22 | C20 | C21 | H19 | 89.4° | 90.0° |
| C22 | C20 | C21 | H20 | 30.5° | 29.9° |
| C22 | C20 | C21 | H21 | 150.6° | 149.9° |
| C20 | C22 | C23 | H22 | 2.7° | 0.1° |
| C20 | C21 | H19 | H20 | 120.0° | 120.0° |
| C20 | C21 | H19 | H21 | 120.0° | 120.1° |
| C20 | C21 | H20 | H21 | 120.0° | 120.1° |
| H1 | C | H2 | H3 | 120.0° | 120.0° |
| H4 | C16 | H5 | H6 | 120.0° | 120.1° |
| H7 | C14 | H8 | H9 | 120.0° | 120.0° |
| H10 | C13 | H11 | H12 | 120.0° | 120.0° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H19 | C21 | H20 | H21 | 120.0° | 119.9° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
| H27 | C26 | H28 | H29 | 120.0° | 120.1° |
