9UD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.46Å | 1.46Å | |
| N1 | N | sing | 1.40Å | 1.35Å | Aromatic |
| N1 | C3 | doub | 1.31Å | 1.32Å | Aromatic |
| N | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C1 | C2 | doub | 1.36Å | 1.37Å | Aromatic |
| C13 | C6 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C4 | sing | 1.48Å | 1.49Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | N2 | sing | 1.47Å | 1.47Å | |
| C7 | N2 | sing | 1.40Å | 1.42Å | |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| N2 | C14 | sing | 1.40Å | 1.40Å | |
| C10 | F1 | sing | 1.40Å | 1.36Å | |
| C10 | F | sing | 1.40Å | 1.36Å | |
| C22 | C21 | sing | 1.51Å | 1.50Å | |
| C22 | N5 | sing | 1.47Å | 1.46Å | |
| C25 | N5 | sing | 1.35Å | 1.35Å | |
| C25 | O1 | doub | 1.21Å | 1.23Å | |
| C14 | C21 | sing | 1.40Å | 1.46Å | Aromatic |
| C14 | N3 | doub | 1.32Å | 1.31Å | Aromatic |
| C21 | C20 | doub | 1.36Å | 1.37Å | Aromatic |
| N5 | C23 | sing | 1.47Å | 1.47Å | |
| N3 | N4 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | N4 | sing | 1.35Å | 1.35Å | Aromatic |
| C20 | C24 | sing | 1.51Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| N4 | C15 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | O | sing | 1.43Å | 1.43Å | |
| O | C18 | sing | 1.43Å | 1.43Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C | H12 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C26 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | N1 | 119.5° | 126.0° |
| C | N | C1 | 127.6° | 125.9° |
| N | C | H11 | 109.5° | 109.5° |
| N | C | H12 | 109.5° | 109.5° |
| N | C | H13 | 109.5° | 109.4° |
| N | N1 | C3 | 104.3° | 108.6° |
| N1 | N | C1 | 112.9° | 108.2° |
| N1 | C3 | C2 | 111.9° | 108.1° |
| N1 | C3 | H32 | 124.1° | 126.0° |
| N | C1 | C2 | 106.8° | 107.6° |
| N | C1 | H14 | 126.6° | 126.2° |
| C3 | C2 | C1 | 104.1° | 107.5° |
| C3 | C2 | C4 | 128.3° | 126.2° |
| C2 | C3 | H32 | 124.0° | 125.9° |
| C1 | C2 | C4 | 127.6° | 126.3° |
| C2 | C1 | H14 | 126.6° | 126.2° |
| C6 | C13 | C12 | 112.3° | 110.5° |
| C13 | C6 | C5 | 119.6° | 118.8° |
| C13 | C6 | C7 | 121.3° | 121.5° |
| C6 | C13 | H8 | 108.8° | 109.3° |
| C6 | C13 | H9 | 108.8° | 109.3° |
| C13 | C12 | C11 | 108.5° | 108.9° |
| C13 | C12 | H6 | 109.7° | 109.6° |
| C13 | C12 | H7 | 109.7° | 109.7° |
| C12 | C13 | H8 | 108.7° | 109.3° |
| C12 | C13 | H9 | 108.8° | 109.3° |
| C6 | C5 | C4 | 121.7° | 120.2° |
| C5 | C6 | C7 | 119.0° | 119.7° |
| C6 | C5 | H1 | 119.2° | 119.9° |
| C5 | C4 | C2 | 118.1° | 120.1° |
| C5 | C4 | C9 | 119.5° | 119.9° |
| C4 | C5 | H1 | 119.1° | 119.8° |
| C2 | C4 | C9 | 122.4° | 120.1° |
| C6 | C7 | N2 | 119.4° | 120.8° |
| C6 | C7 | C8 | 119.2° | 120.2° |
| C4 | C9 | C8 | 118.7° | 119.8° |
| C4 | C9 | C10 | 122.4° | 120.1° |
| C12 | C11 | N2 | 109.1° | 107.8° |
| C12 | C11 | H4 | 109.6° | 109.8° |
| C12 | C11 | H5 | 109.5° | 109.9° |
| C11 | C12 | H6 | 109.7° | 109.6° |
| C11 | C12 | H7 | 109.7° | 109.5° |
| C11 | N2 | C7 | 117.8° | 118.9° |
| C11 | N2 | C14 | 121.6° | 120.5° |
| N2 | C11 | H4 | 109.6° | 109.8° |
| N2 | C11 | H5 | 109.6° | 109.8° |
| N2 | C7 | C8 | 121.4° | 119.0° |
| C7 | N2 | C14 | 120.6° | 120.5° |
| C7 | C8 | C9 | 121.9° | 120.2° |
| C7 | C8 | H2 | 119.1° | 119.9° |
| C8 | C9 | C10 | 118.9° | 120.1° |
| C9 | C8 | H2 | 119.1° | 119.9° |
| C9 | C10 | F1 | 107.9° | 109.5° |
| C9 | C10 | F | 110.6° | 109.5° |
| C9 | C10 | H3 | 109.0° | 109.4° |
| C26 | C25 | N5 | 118.2° | 119.9° |
| C26 | C25 | O1 | 121.5° | 120.0° |
| C25 | C26 | H29 | 109.5° | 109.5° |
| C25 | C26 | H30 | 109.5° | 109.4° |
| C25 | C26 | H31 | 109.5° | 109.5° |
| N2 | C14 | C21 | 126.0° | 126.1° |
| N2 | C14 | N3 | 122.8° | 126.1° |
| F1 | C10 | F | 106.7° | 109.5° |
| F1 | C10 | H3 | 111.3° | 109.5° |
| F | C10 | H3 | 111.3° | 109.5° |
| C21 | C22 | N5 | 108.3° | 107.2° |
| C22 | C21 | C14 | 133.5° | 128.0° |
| C22 | C21 | C20 | 122.6° | 123.9° |
| C21 | C22 | H23 | 109.8° | 109.9° |
| C21 | C22 | H24 | 109.8° | 109.9° |
| C22 | N5 | C25 | 125.6° | 120.9° |
| C22 | N5 | C23 | 117.0° | 118.4° |
| N5 | C22 | H23 | 109.7° | 109.9° |
| N5 | C22 | H24 | 109.7° | 109.9° |
| N5 | C25 | O1 | 120.3° | 120.1° |
| C25 | N5 | C23 | 117.3° | 120.7° |
| C21 | C14 | N3 | 111.2° | 107.9° |
| C14 | C21 | C20 | 103.9° | 108.1° |
| C14 | N3 | N4 | 104.8° | 108.2° |
| C21 | C20 | N4 | 107.6° | 107.8° |
| C21 | C20 | C24 | 125.7° | 124.5° |
| N5 | C23 | C24 | 111.4° | 109.2° |
| N5 | C23 | H25 | 109.0° | 109.6° |
| N5 | C23 | H26 | 109.0° | 109.6° |
| N3 | N4 | C20 | 112.6° | 108.0° |
| N3 | N4 | C15 | 119.4° | 126.0° |
| N4 | C20 | C24 | 126.6° | 127.8° |
| C20 | N4 | C15 | 128.1° | 126.0° |
| C20 | C24 | C23 | 107.5° | 108.8° |
| C20 | C24 | H27 | 110.0° | 109.6° |
| C20 | C24 | H28 | 110.0° | 109.6° |
| C24 | C23 | H25 | 109.0° | 109.5° |
| C24 | C23 | H26 | 109.0° | 109.5° |
| C23 | C24 | H27 | 110.0° | 109.5° |
| C23 | C24 | H28 | 110.0° | 109.6° |
| N4 | C15 | C16 | 110.2° | 109.6° |
| N4 | C15 | C19 | 110.3° | 109.6° |
| N4 | C15 | H10 | 108.8° | 109.5° |
| C15 | C16 | C17 | 109.4° | 109.2° |
| C16 | C15 | C19 | 111.1° | 109.0° |
| C16 | C15 | H10 | 108.2° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C15 | C16 | H16 | 109.5° | 109.6° |
| C16 | C17 | O | 110.9° | 109.4° |
| C17 | C16 | H15 | 109.5° | 109.5° |
| C17 | C16 | H16 | 109.5° | 109.5° |
| C16 | C17 | H17 | 109.1° | 109.5° |
| C16 | C17 | H18 | 109.1° | 109.5° |
| C15 | C19 | C18 | 109.0° | 109.2° |
| C19 | C15 | H10 | 108.1° | 109.5° |
| C15 | C19 | H21 | 109.6° | 109.5° |
| C15 | C19 | H22 | 109.6° | 109.5° |
| C19 | C18 | O | 111.0° | 109.4° |
| C19 | C18 | H19 | 109.1° | 109.5° |
| C19 | C18 | H20 | 109.1° | 109.5° |
| C18 | C19 | H21 | 109.6° | 109.5° |
| C18 | C19 | H22 | 109.6° | 109.5° |
| C17 | O | C18 | 110.3° | 114.1° |
| O | C17 | H17 | 109.1° | 109.5° |
| O | C17 | H18 | 109.1° | 109.4° |
| O | C18 | H19 | 109.1° | 109.5° |
| O | C18 | H20 | 109.1° | 109.5° |
| H4 | C11 | H5 | 109.5° | 109.8° |
| H6 | C12 | H7 | 109.5° | 109.6° |
| H8 | C13 | H9 | 109.5° | 109.3° |
| H11 | C | H12 | 109.5° | 109.5° |
| H11 | C | H13 | 109.4° | 109.5° |
| H12 | C | H13 | 109.5° | 109.4° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.4° | 109.5° |
| H21 | C19 | H22 | 109.5° | 109.6° |
| H23 | C22 | H24 | 109.5° | 110.0° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.7° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H29 | C26 | H31 | 109.5° | 109.5° |
| H30 | C26 | H31 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | N1 | C1 | 179.1° | 179.9° |
| C | N | N1 | C3 | 179.0° | 180.0° |
| C | N | C1 | C2 | 178.6° | 179.9° |
| N | C | H11 | H12 | 120.0° | 120.1° |
| N | C | H11 | H13 | 120.0° | 120.0° |
| N | C | H12 | H13 | 120.0° | 119.9° |
| C | N | C1 | H14 | 1.4° | 0.0° |
| N | N1 | C3 | C2 | 0.3° | 0.0° |
| N1 | N | C1 | C2 | 0.4° | 0.0° |
| N1 | N | C | H11 | 0.0° | 89.9° |
| N1 | N | C | H12 | 120.0° | 150.0° |
| N1 | N | C | H13 | 120.0° | 30.1° |
| N1 | N | C1 | H14 | 179.6° | 180.0° |
| N | N1 | C3 | H32 | 179.7° | 180.0° |
| C3 | N1 | N | C1 | 0.1° | 0.0° |
| N1 | C3 | C2 | H32 | 180.0° | 180.0° |
| N1 | C3 | C2 | C1 | 0.6° | 0.0° |
| N1 | C3 | C2 | C4 | 179.0° | 180.0° |
| N | C1 | C2 | C3 | 0.6° | 0.0° |
| N | C1 | C2 | H14 | 180.0° | 180.0° |
| N | C1 | C2 | C4 | 179.0° | 180.0° |
| C1 | N | C | H11 | 179.0° | 90.0° |
| C1 | N | C | H12 | 59.0° | 30.0° |
| C1 | N | C | H13 | 61.0° | 150.0° |
| C3 | C2 | C1 | C4 | 179.6° | 180.0° |
| C3 | C2 | C4 | C5 | 130.1° | 123.6° |
| C3 | C2 | C4 | C9 | 51.9° | 56.2° |
| C3 | C2 | C1 | H14 | 179.5° | 180.0° |
| C1 | C2 | C4 | C5 | 50.4° | 56.4° |
| C1 | C2 | C4 | C9 | 127.6° | 123.8° |
| C1 | C2 | C3 | H32 | 179.4° | 180.0° |
| C6 | C13 | C12 | H8 | 120.4° | 120.3° |
| C6 | C13 | C12 | H9 | 120.4° | 120.2° |
| C13 | C6 | C5 | C7 | 179.5° | 179.7° |
| C13 | C6 | C5 | C4 | 179.1° | 179.6° |
| C6 | C13 | C12 | C11 | 49.4° | 51.4° |
| C13 | C6 | C7 | N2 | 0.9° | 0.6° |
| C13 | C6 | C7 | C8 | 179.1° | 179.5° |
| C13 | C6 | C5 | H1 | 0.9° | 0.4° |
| C6 | C13 | C12 | H6 | 169.3° | 68.4° |
| C6 | C13 | C12 | H7 | 70.4° | 171.2° |
| C6 | C13 | H8 | H9 | 118.7° | 119.5° |
| C12 | C13 | C6 | C5 | 161.5° | 159.5° |
| C12 | C13 | C6 | C7 | 18.0° | 20.7° |
| C13 | C12 | C11 | H6 | 119.8° | 119.9° |
| C13 | C12 | C11 | H7 | 119.8° | 119.9° |
| C13 | C12 | C11 | N2 | 63.8° | 63.3° |
| C13 | C12 | C11 | H4 | 56.1° | 177.1° |
| C13 | C12 | C11 | H5 | 176.2° | 56.3° |
| C13 | C12 | H6 | H7 | 120.4° | 120.4° |
| C12 | C13 | H8 | H9 | 118.7° | 119.5° |
| C6 | C5 | C4 | H1 | 180.0° | 179.9° |
| C6 | C5 | C4 | C2 | 177.5° | 179.8° |
| C6 | C5 | C4 | C9 | 0.5° | 0.0° |
| C5 | C6 | C7 | N2 | 179.6° | 179.7° |
| C5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C5 | C6 | C13 | H8 | 78.1° | 80.2° |
| C5 | C6 | C13 | H9 | 41.1° | 39.3° |
| C5 | C4 | C2 | C9 | 178.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.4° | 0.2° |
| C5 | C4 | C9 | C8 | 0.6° | 0.1° |
| C5 | C4 | C9 | C10 | 178.8° | 179.9° |
| C2 | C4 | C9 | C8 | 177.3° | 179.7° |
| C2 | C4 | C9 | C10 | 3.3° | 0.3° |
| C2 | C4 | C5 | H1 | 2.5° | 0.3° |
| C4 | C2 | C1 | H14 | 1.0° | 0.0° |
| C4 | C2 | C3 | H32 | 1.0° | 0.0° |
| C6 | C7 | N2 | C11 | 14.2° | 13.7° |
| C6 | C7 | N2 | C8 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.5° | 0.1° |
| C6 | C7 | N2 | C14 | 167.2° | 166.3° |
| C7 | C6 | C5 | H1 | 179.6° | 179.9° |
| C6 | C7 | C8 | H2 | 179.5° | 179.8° |
| C7 | C6 | C13 | H8 | 102.4° | 99.5° |
| C7 | C6 | C13 | H9 | 138.4° | 141.0° |
| C4 | C9 | C8 | C7 | 0.7° | 0.0° |
| C4 | C9 | C8 | C10 | 179.4° | 179.9° |
| C4 | C9 | C10 | F1 | 51.6° | 160.7° |
| C4 | C9 | C10 | F | 168.0° | 40.6° |
| C9 | C4 | C5 | H1 | 179.5° | 180.0° |
| C4 | C9 | C8 | H2 | 179.4° | 180.0° |
| C4 | C9 | C10 | H3 | 69.4° | 79.4° |
| C12 | C11 | N2 | H4 | 120.0° | 119.6° |
| C12 | C11 | N2 | H5 | 119.9° | 119.6° |
| C12 | C11 | N2 | C7 | 46.9° | 44.8° |
| C12 | C11 | N2 | C14 | 134.6° | 135.2° |
| C12 | C11 | H4 | H5 | 120.1° | 120.9° |
| C11 | C12 | H6 | H7 | 120.5° | 120.2° |
| C11 | C12 | C13 | H8 | 71.0° | 68.9° |
| C11 | C12 | C13 | H9 | 169.9° | 171.6° |
| C11 | N2 | C7 | C14 | 178.6° | 180.0° |
| C11 | N2 | C7 | C8 | 165.8° | 166.4° |
| C11 | N2 | C14 | C21 | 51.5° | 94.8° |
| C11 | N2 | C14 | N3 | 130.1° | 85.2° |
| N2 | C11 | H4 | H5 | 120.2° | 120.8° |
| N2 | C11 | C12 | H6 | 176.3° | 56.6° |
| N2 | C11 | C12 | H7 | 56.0° | 176.8° |
| N2 | C7 | C8 | C9 | 179.5° | 179.8° |
| C7 | N2 | C14 | C21 | 127.0° | 85.1° |
| C7 | N2 | C14 | N3 | 51.4° | 94.8° |
| N2 | C7 | C8 | H2 | 0.5° | 0.3° |
| C7 | N2 | C11 | H4 | 73.1° | 164.3° |
| C7 | N2 | C11 | H5 | 166.8° | 74.9° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 178.8° | 179.9° |
| C8 | C7 | N2 | C14 | 12.8° | 13.6° |
| C8 | C9 | C10 | F1 | 129.0° | 19.3° |
| C8 | C9 | C10 | F | 12.6° | 139.3° |
| C8 | C9 | C10 | H3 | 110.0° | 100.7° |
| C9 | C10 | F1 | F | 118.9° | 120.0° |
| C9 | C10 | F1 | H3 | 119.5° | 120.0° |
| C9 | C10 | F | H3 | 121.3° | 120.0° |
| C10 | C9 | C8 | H2 | 1.2° | 0.1° |
| C26 | C25 | N5 | C22 | 4.2° | 5.3° |
| C26 | C25 | N5 | O1 | 178.5° | 179.9° |
| C26 | C25 | N5 | C23 | 171.5° | 174.8° |
| C25 | C26 | H29 | H30 | 120.0° | 120.0° |
| C25 | C26 | H29 | H31 | 120.0° | 120.0° |
| C25 | C26 | H30 | H31 | 120.0° | 119.9° |
| N2 | C14 | C21 | C22 | 3.5° | 0.4° |
| N2 | C14 | C21 | N3 | 178.5° | 180.0° |
| N2 | C14 | C21 | C20 | 177.9° | 179.8° |
| N2 | C14 | N3 | N4 | 178.1° | 180.0° |
| C14 | N2 | C11 | H4 | 105.4° | 15.6° |
| C14 | N2 | C11 | H5 | 14.7° | 105.1° |
| F1 | C10 | F | H3 | 121.6° | 120.0° |
| C21 | C22 | N5 | H23 | 119.8° | 119.4° |
| C21 | C22 | N5 | H24 | 119.8° | 119.4° |
| C21 | C22 | N5 | C25 | 140.5° | 135.7° |
| C22 | C21 | C14 | C20 | 178.6° | 179.7° |
| C22 | C21 | C14 | N3 | 178.0° | 179.6° |
| C21 | C22 | N5 | C23 | 43.7° | 44.3° |
| C22 | C21 | C20 | N4 | 178.3° | 179.5° |
| C22 | C21 | C20 | C24 | 2.0° | 0.6° |
| C21 | C22 | H23 | H24 | 120.6° | 121.1° |
| C22 | N5 | C25 | C23 | 175.7° | 180.0° |
| C22 | N5 | C25 | O1 | 174.2° | 174.8° |
| N5 | C22 | C21 | C14 | 168.7° | 169.0° |
| N5 | C22 | C21 | C20 | 12.9° | 11.4° |
| C22 | N5 | C23 | C24 | 63.9° | 64.5° |
| N5 | C22 | H23 | H24 | 120.5° | 121.1° |
| C22 | N5 | C23 | H25 | 175.8° | 175.6° |
| C22 | N5 | C23 | H26 | 56.4° | 55.4° |
| C25 | N5 | C23 | C24 | 120.0° | 115.5° |
| C25 | N5 | C22 | H23 | 20.7° | 104.9° |
| C25 | N5 | C22 | H24 | 99.6° | 16.3° |
| C25 | N5 | C23 | H25 | 0.3° | 4.4° |
| C25 | N5 | C23 | H26 | 119.7° | 124.6° |
| N5 | C25 | C26 | H29 | 178.5° | 2.4° |
| N5 | C25 | C26 | H30 | 58.4° | 122.5° |
| N5 | C25 | C26 | H31 | 61.5° | 117.7° |
| O1 | C25 | N5 | C23 | 10.0° | 5.2° |
| O1 | C25 | C26 | H29 | 0.0° | 177.7° |
| O1 | C25 | C26 | H30 | 120.0° | 57.6° |
| O1 | C25 | C26 | H31 | 120.0° | 62.3° |
| C21 | C14 | N3 | N4 | 0.5° | 0.0° |
| C14 | C21 | C20 | N4 | 0.5° | 0.2° |
| C14 | C21 | C20 | C24 | 179.2° | 179.6° |
| C14 | C21 | C22 | H23 | 48.9° | 71.7° |
| C14 | C21 | C22 | H24 | 71.5° | 49.5° |
| N3 | C14 | C21 | C20 | 0.7° | 0.1° |
| C14 | N3 | N4 | C20 | 0.2° | 0.2° |
| C14 | N3 | N4 | C15 | 179.0° | 179.8° |
| C21 | C20 | N4 | N3 | 0.2° | 0.2° |
| C21 | C20 | N4 | C24 | 179.7° | 179.8° |
| C21 | C20 | C24 | C23 | 18.1° | 18.0° |
| C21 | C20 | N4 | C15 | 178.5° | 179.8° |
| C20 | C21 | C22 | H23 | 132.7° | 108.0° |
| C20 | C21 | C22 | H24 | 107.0° | 130.8° |
| C21 | C20 | C24 | H27 | 137.7° | 101.8° |
| C21 | C20 | C24 | H28 | 101.6° | 137.9° |
| N5 | C23 | C24 | C20 | 45.3° | 45.3° |
| N5 | C23 | C24 | H25 | 120.3° | 120.0° |
| N5 | C23 | C24 | H26 | 120.3° | 119.9° |
| C23 | N5 | C22 | H23 | 163.6° | 75.1° |
| C23 | N5 | C22 | H24 | 76.1° | 163.7° |
| N5 | C23 | H25 | H26 | 119.1° | 120.2° |
| N5 | C23 | C24 | H27 | 165.0° | 74.5° |
| N5 | C23 | C24 | H28 | 74.4° | 165.2° |
| N3 | N4 | C20 | C15 | 178.7° | 180.0° |
| N3 | N4 | C20 | C24 | 179.5° | 179.6° |
| N3 | N4 | C15 | C16 | 47.3° | 59.6° |
| N3 | N4 | C15 | C19 | 75.7° | 60.0° |
| N3 | N4 | C15 | H10 | 165.9° | 179.8° |
| N4 | C20 | C24 | C23 | 162.3° | 162.2° |
| C20 | N4 | C15 | C16 | 134.0° | 120.4° |
| C20 | N4 | C15 | C19 | 102.9° | 120.0° |
| C20 | N4 | C15 | H10 | 15.5° | 0.2° |
| N4 | C20 | C24 | H27 | 42.6° | 78.1° |
| N4 | C20 | C24 | H28 | 78.0° | 42.3° |
| C20 | C24 | C23 | H27 | 119.7° | 119.8° |
| C20 | C24 | C23 | H28 | 119.7° | 119.8° |
| C24 | C20 | N4 | C15 | 1.8° | 0.4° |
| C20 | C24 | C23 | H25 | 165.6° | 165.3° |
| C20 | C24 | C23 | H26 | 75.0° | 74.6° |
| C20 | C24 | H27 | H28 | 120.9° | 120.3° |
| C24 | C23 | H25 | H26 | 119.1° | 120.0° |
| C23 | C24 | H27 | H28 | 120.9° | 120.3° |
| N4 | C15 | C16 | C19 | 122.5° | 120.0° |
| N4 | C15 | C16 | H10 | 118.9° | 120.2° |
| N4 | C15 | C16 | C17 | 175.1° | 176.9° |
| N4 | C15 | C19 | H10 | 118.9° | 120.2° |
| N4 | C15 | C19 | C18 | 174.9° | 176.9° |
| N4 | C15 | C16 | H15 | 55.2° | 57.0° |
| N4 | C15 | C16 | H16 | 64.9° | 63.2° |
| N4 | C15 | C19 | H21 | 65.2° | 63.1° |
| N4 | C15 | C19 | H22 | 54.9° | 57.0° |
| C15 | C16 | C17 | H15 | 120.0° | 119.9° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C16 | C15 | C19 | H10 | 118.7° | 119.8° |
| C16 | C15 | C19 | C18 | 52.4° | 56.9° |
| C15 | C16 | C17 | O | 57.6° | 57.6° |
| C15 | C16 | H15 | H16 | 120.1° | 120.1° |
| C15 | C16 | C17 | H17 | 177.8° | 62.4° |
| C15 | C16 | C17 | H18 | 62.6° | 177.6° |
| C16 | C15 | C19 | H21 | 172.3° | 176.9° |
| C16 | C15 | C19 | H22 | 67.5° | 63.0° |
| C17 | C16 | C15 | C19 | 52.6° | 56.9° |
| C16 | C17 | O | H17 | 120.2° | 120.0° |
| C16 | C17 | O | H18 | 120.2° | 120.0° |
| C16 | C17 | O | C18 | 63.4° | 61.1° |
| C17 | C16 | C15 | H10 | 66.0° | 62.9° |
| C17 | C16 | H15 | H16 | 120.0° | 120.1° |
| C16 | C17 | H17 | H18 | 119.3° | 120.0° |
| C15 | C19 | C18 | H21 | 119.9° | 120.0° |
| C15 | C19 | C18 | H22 | 119.9° | 119.9° |
| C15 | C19 | C18 | O | 57.4° | 57.5° |
| C19 | C15 | C16 | H15 | 67.4° | 63.0° |
| C19 | C15 | C16 | H16 | 172.5° | 176.9° |
| C15 | C19 | C18 | H19 | 62.8° | 177.5° |
| C15 | C19 | C18 | H20 | 177.6° | 62.4° |
| C15 | C19 | H21 | H22 | 120.2° | 120.1° |
| C19 | C18 | O | C17 | 63.5° | 61.1° |
| C19 | C18 | O | H19 | 120.3° | 120.0° |
| C19 | C18 | O | H20 | 120.2° | 120.0° |
| C18 | C19 | C15 | H10 | 66.2° | 62.9° |
| C19 | C18 | H19 | H20 | 119.3° | 120.0° |
| C18 | C19 | H21 | H22 | 120.2° | 120.1° |
| O | C17 | C16 | H15 | 62.3° | 62.3° |
| O | C17 | C16 | H16 | 177.6° | 177.6° |
| O | C17 | H17 | H18 | 119.4° | 120.0° |
| C17 | O | C18 | H19 | 56.8° | 178.9° |
| C17 | O | C18 | H20 | 176.3° | 58.9° |
| C18 | O | C17 | H17 | 176.4° | 58.9° |
| C18 | O | C17 | H18 | 56.8° | 178.9° |
| O | C18 | H19 | H20 | 119.3° | 120.0° |
| O | C18 | C19 | H21 | 177.3° | 177.5° |
| O | C18 | C19 | H22 | 62.5° | 62.3° |
| H4 | C11 | C12 | H6 | 63.7° | 63.0° |
| H4 | C11 | C12 | H7 | 176.0° | 57.2° |
| H5 | C11 | C12 | H6 | 56.4° | 176.2° |
| H5 | C11 | C12 | H7 | 64.0° | 63.6° |
| H6 | C12 | C13 | H8 | 48.9° | 171.3° |
| H6 | C12 | C13 | H9 | 70.3° | 51.8° |
| H7 | C12 | C13 | H8 | 169.2° | 51.0° |
| H7 | C12 | C13 | H9 | 50.0° | 68.5° |
| H10 | C15 | C16 | H15 | 174.0° | 177.2° |
| H10 | C15 | C16 | H16 | 53.9° | 57.1° |
| H10 | C15 | C19 | H21 | 53.7° | 57.0° |
| H10 | C15 | C19 | H22 | 173.8° | 177.2° |
| H11 | C | H12 | H13 | 120.0° | 120.0° |
| H15 | C16 | C17 | H17 | 57.9° | 177.7° |
| H15 | C16 | C17 | H18 | 177.4° | 57.7° |
| H16 | C16 | C17 | H17 | 62.2° | 57.5° |
| H16 | C16 | C17 | H18 | 57.4° | 62.5° |
| H19 | C18 | C19 | H21 | 57.1° | 62.5° |
| H19 | C18 | C19 | H22 | 177.2° | 57.7° |
| H20 | C18 | C19 | H21 | 62.5° | 57.5° |
| H20 | C18 | C19 | H22 | 57.7° | 177.7° |
| H25 | C23 | C24 | H27 | 74.7° | 45.5° |
| H25 | C23 | C24 | H28 | 45.9° | 74.8° |
| H26 | C23 | C24 | H27 | 44.7° | 165.6° |
| H26 | C23 | C24 | H28 | 165.3° | 45.2° |
| H29 | C26 | H30 | H31 | 120.0° | 120.1° |
