A1IMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | N1 | sing | 1.40Å | 1.42Å | |
| N1 | C7 | sing | 1.35Å | 1.38Å | |
| C7 | N2 | sing | 1.35Å | 1.37Å | |
| N2 | C8 | sing | 1.40Å | 1.41Å | |
| C8 | C9 | sing | 1.41Å | 1.40Å | |
| C9 | N3 | sing | 1.35Å | 1.40Å | |
| N3 | C10 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | doub | 1.35Å | 1.35Å | |
| C11 | C12 | sing | 1.40Å | 1.39Å | |
| C8 | C12 | doub | 1.37Å | 1.40Å | |
| C7 | O1 | doub | 1.22Å | 1.22Å | |
| C9 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C13 | sing | 1.46Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C15 | sing | 1.47Å | 1.46Å | |
| C13 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C17 | C19 | sing | 1.53Å | 1.50Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | C20 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C15 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C25 | N5 | sing | 1.47Å | 1.46Å | |
| N5 | C26 | sing | 1.34Å | 1.32Å | |
| C23 | C26 | sing | 1.51Å | 1.52Å | |
| C26 | O4 | doub | 1.21Å | 1.23Å | |
| C21 | N6 | sing | 1.35Å | 1.32Å | |
| N6 | C27 | sing | 1.47Å | 1.45Å | |
| C20 | O5 | sing | 1.43Å | 1.42Å | |
| C21 | O6 | doub | 1.21Å | 1.23Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| O5 | H34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.5° | 120.2° |
| C2 | C1 | C6 | 120.6° | 120.1° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C1 | C2 | H2 | 120.3° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C3 | C2 | H2 | 120.2° | 119.9° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C4 | C5 | C6 | 119.0° | 119.9° |
| C4 | C5 | N1 | 120.6° | 120.1° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C5 | C6 | C1 | 120.2° | 119.9° |
| C6 | C5 | N1 | 120.4° | 120.0° |
| C5 | C6 | H5 | 119.9° | 120.1° |
| C1 | C6 | H5 | 119.9° | 120.0° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C5 | N1 | C7 | 126.4° | 120.0° |
| C5 | N1 | H6 | 116.8° | 120.0° |
| N1 | C7 | N2 | 113.6° | 120.0° |
| N1 | C7 | O1 | 123.4° | 120.0° |
| C7 | N1 | H6 | 116.8° | 120.0° |
| C7 | N2 | C8 | 126.6° | 120.0° |
| N2 | C7 | O1 | 123.0° | 120.0° |
| C7 | N2 | H7 | 116.7° | 120.0° |
| N2 | C8 | C9 | 117.7° | 120.4° |
| N2 | C8 | C12 | 121.2° | 120.4° |
| C8 | N2 | H7 | 116.7° | 119.9° |
| C8 | C9 | N3 | 116.4° | 119.9° |
| C9 | C8 | C12 | 121.0° | 119.1° |
| C8 | C9 | O2 | 125.2° | 120.0° |
| C9 | N3 | C10 | 121.9° | 120.8° |
| N3 | C9 | O2 | 118.4° | 120.1° |
| C9 | N3 | C13 | 117.9° | 119.6° |
| N3 | C10 | C11 | 121.3° | 120.9° |
| C10 | N3 | C13 | 120.1° | 119.6° |
| N3 | C10 | H8 | 119.4° | 119.6° |
| C10 | C11 | C12 | 119.7° | 120.0° |
| C11 | C10 | H8 | 119.4° | 119.6° |
| C10 | C11 | H9 | 120.1° | 120.0° |
| C11 | C12 | C8 | 119.6° | 119.3° |
| C12 | C11 | H9 | 120.1° | 120.0° |
| C11 | C12 | H10 | 120.2° | 120.4° |
| C8 | C12 | H10 | 120.2° | 120.3° |
| N3 | C13 | C14 | 110.6° | 109.5° |
| N3 | C13 | C16 | 113.9° | 109.5° |
| N3 | C13 | H11 | 107.5° | 109.5° |
| C13 | C14 | N4 | 116.5° | 120.0° |
| C14 | C13 | C16 | 110.7° | 109.5° |
| C13 | C14 | O3 | 119.8° | 120.0° |
| C14 | C13 | H11 | 107.0° | 109.4° |
| C14 | N4 | C15 | 123.9° | 120.0° |
| N4 | C14 | O3 | 123.7° | 120.0° |
| C14 | N4 | H12 | 118.0° | 120.0° |
| N4 | C15 | C20 | 109.8° | 109.5° |
| N4 | C15 | C22 | 110.1° | 109.5° |
| N4 | C15 | H13 | 108.2° | 109.4° |
| C15 | N4 | H12 | 118.0° | 120.0° |
| C13 | C16 | C17 | 112.5° | 109.5° |
| C16 | C13 | H11 | 106.8° | 109.5° |
| C13 | C16 | H14 | 108.7° | 109.5° |
| C13 | C16 | H15 | 108.7° | 109.4° |
| C16 | C17 | C18 | 120.8° | 117.5° |
| C16 | C17 | C19 | 120.4° | 117.5° |
| C16 | C17 | H16 | 114.8° | 115.5° |
| C17 | C16 | H14 | 108.7° | 109.5° |
| C17 | C16 | H15 | 108.7° | 109.5° |
| C17 | C18 | C19 | 60.2° | 60.0° |
| C18 | C17 | C19 | 59.8° | 60.0° |
| C18 | C17 | H16 | 115.1° | 117.5° |
| C17 | C18 | H17 | 120.0° | 117.5° |
| C17 | C18 | H18 | 120.0° | 117.5° |
| C18 | C19 | C17 | 60.1° | 60.0° |
| C19 | C18 | H17 | 120.0° | 117.5° |
| C19 | C18 | H18 | 120.0° | 117.5° |
| C18 | C19 | H19 | 120.0° | 117.5° |
| C18 | C19 | H20 | 120.0° | 117.5° |
| C19 | C17 | H16 | 115.1° | 117.5° |
| C17 | C19 | H19 | 120.0° | 117.5° |
| C17 | C19 | H20 | 120.0° | 117.5° |
| C15 | C20 | C21 | 113.5° | 109.5° |
| C20 | C15 | C22 | 113.8° | 109.5° |
| C15 | C20 | O5 | 108.6° | 109.5° |
| C20 | C15 | H13 | 107.3° | 109.5° |
| C15 | C20 | H21 | 107.6° | 109.5° |
| C20 | C21 | N6 | 116.5° | 120.0° |
| C21 | C20 | O5 | 110.5° | 109.4° |
| C20 | C21 | O6 | 119.2° | 120.0° |
| C21 | C20 | H21 | 107.7° | 109.5° |
| C15 | C22 | C23 | 110.1° | 109.5° |
| C22 | C15 | H13 | 107.4° | 109.5° |
| C15 | C22 | H22 | 109.3° | 109.4° |
| C15 | C22 | H23 | 109.3° | 109.4° |
| C22 | C23 | C24 | 116.8° | 110.5° |
| C22 | C23 | C26 | 112.9° | 110.5° |
| C23 | C22 | H22 | 109.3° | 109.5° |
| C23 | C22 | H23 | 109.3° | 109.5° |
| C22 | C23 | H24 | 107.3° | 110.4° |
| C23 | C24 | C25 | 106.0° | 101.8° |
| C24 | C23 | C26 | 104.7° | 104.2° |
| C23 | C24 | H26 | 110.3° | 111.0° |
| C23 | C24 | H25 | 110.3° | 110.9° |
| C24 | C23 | H24 | 107.3° | 110.5° |
| C24 | C25 | N5 | 104.7° | 105.5° |
| C25 | C24 | H26 | 110.3° | 111.0° |
| C25 | C24 | H25 | 110.3° | 111.0° |
| C24 | C25 | H28 | 110.7° | 110.2° |
| C24 | C25 | H27 | 110.7° | 110.3° |
| C25 | N5 | C26 | 114.3° | 111.3° |
| N5 | C25 | H28 | 110.6° | 110.2° |
| N5 | C25 | H27 | 110.7° | 110.2° |
| C25 | N5 | H29 | 122.8° | 124.3° |
| N5 | C26 | C23 | 109.8° | 110.1° |
| N5 | C26 | O4 | 125.7° | 124.9° |
| C26 | N5 | H29 | 122.8° | 124.4° |
| C23 | C26 | O4 | 124.5° | 124.9° |
| C26 | C23 | H24 | 107.4° | 110.6° |
| C21 | N6 | C27 | 123.3° | 120.0° |
| N6 | C21 | O6 | 124.2° | 120.0° |
| C21 | N6 | H30 | 118.4° | 120.0° |
| C27 | N6 | H30 | 118.3° | 120.0° |
| N6 | C27 | H31 | 109.5° | 109.4° |
| N6 | C27 | H32 | 109.5° | 109.4° |
| N6 | C27 | H33 | 109.5° | 109.4° |
| O5 | C20 | H21 | 109.0° | 109.5° |
| C20 | O5 | H34 | 109.5° | 114.0° |
| H22 | C22 | H23 | 109.5° | 109.5° |
| H26 | C24 | H25 | 109.5° | 110.9° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 115.5° |
| H19 | C19 | H20 | 109.5° | 115.6° |
| H28 | C25 | H27 | 109.5° | 110.3° |
| H31 | C27 | H32 | 109.5° | 109.5° |
| H31 | C27 | H33 | 109.5° | 109.5° |
| H32 | C27 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 1.1° | 0.5° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C2 | C1 | C6 | H5 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 178.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.5° |
| C2 | C3 | C4 | C5 | 2.6° | 0.5° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C2 | C3 | C4 | H4 | 177.4° | 179.8° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 2.8° | 0.3° |
| C3 | C4 | C5 | N1 | 179.8° | 179.7° |
| C4 | C3 | C2 | H2 | 178.9° | 179.7° |
| C4 | C5 | C6 | N1 | 177.4° | 180.0° |
| C4 | C5 | C6 | C1 | 1.6° | 0.0° |
| C4 | C5 | N1 | C7 | 106.6° | 149.2° |
| C4 | C5 | N1 | H6 | 73.4° | 31.1° |
| C4 | C5 | C6 | H5 | 178.4° | 179.9° |
| C5 | C4 | C3 | H3 | 177.3° | 179.9° |
| C5 | C6 | C1 | H5 | 180.0° | 179.9° |
| C6 | C5 | N1 | C7 | 76.1° | 30.8° |
| C6 | C5 | N1 | H6 | 103.9° | 148.9° |
| C6 | C5 | C4 | H4 | 177.2° | 180.0° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| C1 | C6 | C5 | N1 | 178.9° | 180.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C5 | N1 | C7 | H6 | 180.0° | 179.7° |
| C5 | N1 | C7 | N2 | 150.5° | 174.8° |
| C5 | N1 | C7 | O1 | 31.1° | 5.2° |
| N1 | C5 | C4 | H4 | 0.2° | 0.1° |
| N1 | C5 | C6 | H5 | 1.0° | 0.1° |
| N1 | C7 | N2 | O1 | 178.4° | 180.0° |
| N1 | C7 | N2 | C8 | 140.4° | 175.7° |
| N1 | C7 | N2 | H7 | 39.6° | 4.2° |
| C7 | N2 | C8 | H7 | 180.0° | 180.0° |
| C7 | N2 | C8 | C9 | 160.2° | 58.5° |
| C7 | N2 | C8 | C12 | 22.9° | 122.1° |
| N2 | C7 | N1 | H6 | 29.5° | 5.0° |
| N2 | C8 | C9 | C12 | 177.0° | 179.4° |
| N2 | C8 | C9 | N3 | 178.0° | 180.0° |
| N2 | C8 | C12 | C11 | 178.6° | 179.7° |
| C8 | N2 | C7 | O1 | 38.0° | 4.2° |
| N2 | C8 | C9 | O2 | 2.7° | 0.0° |
| N2 | C8 | C12 | H10 | 1.4° | 0.6° |
| C8 | C9 | N3 | O2 | 179.3° | 179.9° |
| C8 | C9 | N3 | C10 | 0.7° | 0.0° |
| C9 | C8 | C12 | C11 | 1.7° | 0.8° |
| C8 | C9 | N3 | C13 | 179.4° | 179.7° |
| C9 | C8 | N2 | H7 | 19.8° | 121.5° |
| C9 | C8 | C12 | H10 | 178.3° | 180.0° |
| C9 | N3 | C10 | C13 | 178.7° | 179.6° |
| C9 | N3 | C10 | C11 | 1.8° | 0.3° |
| N3 | C9 | C8 | C12 | 1.1° | 0.5° |
| C9 | N3 | C13 | C14 | 83.9° | 119.7° |
| C9 | N3 | C13 | C16 | 150.6° | 120.3° |
| C9 | N3 | C10 | H8 | 178.2° | 179.7° |
| C9 | N3 | C13 | H11 | 32.5° | 0.3° |
| N3 | C10 | C11 | H8 | 180.0° | 180.0° |
| N3 | C10 | C11 | C12 | 1.2° | 0.0° |
| C10 | N3 | C9 | O2 | 178.7° | 180.0° |
| C10 | N3 | C13 | C14 | 94.8° | 60.0° |
| C10 | N3 | C13 | C16 | 30.6° | 60.0° |
| C10 | N3 | C13 | H11 | 148.7° | 180.0° |
| N3 | C10 | C11 | H9 | 178.8° | 180.0° |
| C10 | C11 | C12 | H9 | 180.0° | 180.0° |
| C10 | C11 | C12 | C8 | 0.6° | 0.6° |
| C11 | C10 | N3 | C13 | 179.5° | 180.0° |
| C10 | C11 | C12 | H10 | 179.4° | 179.7° |
| C11 | C12 | C8 | H10 | 180.0° | 179.2° |
| C12 | C11 | C10 | H8 | 178.8° | 180.0° |
| C12 | C8 | C9 | O2 | 179.6° | 179.4° |
| C12 | C8 | N2 | H7 | 157.2° | 58.0° |
| C8 | C12 | C11 | H9 | 179.4° | 179.4° |
| O1 | C7 | N1 | H6 | 148.9° | 175.1° |
| O1 | C7 | N2 | H7 | 142.0° | 175.8° |
| O2 | C9 | N3 | C13 | 0.1° | 0.4° |
| N3 | C13 | C14 | C16 | 127.2° | 120.0° |
| N3 | C13 | C14 | H11 | 116.7° | 120.0° |
| N3 | C13 | C14 | N4 | 132.8° | 180.0° |
| N3 | C13 | C16 | H11 | 118.5° | 120.0° |
| N3 | C13 | C16 | C17 | 81.4° | 65.0° |
| N3 | C13 | C14 | O3 | 48.4° | 0.1° |
| C13 | N3 | C10 | H8 | 0.5° | 0.0° |
| N3 | C13 | C16 | H14 | 39.1° | 55.0° |
| N3 | C13 | C16 | H15 | 158.1° | 175.0° |
| C13 | C14 | N4 | O3 | 178.7° | 179.9° |
| C13 | C14 | N4 | C15 | 163.2° | 180.0° |
| C14 | C13 | C16 | H11 | 116.1° | 120.0° |
| C14 | C13 | C16 | C17 | 153.2° | 175.0° |
| C13 | C14 | N4 | H12 | 16.9° | 0.0° |
| C14 | C13 | C16 | H14 | 86.3° | 65.0° |
| C14 | C13 | C16 | H15 | 32.7° | 55.0° |
| C14 | N4 | C15 | H12 | 180.0° | 180.0° |
| N4 | C14 | C13 | C16 | 99.9° | 60.0° |
| C14 | N4 | C15 | C20 | 95.0° | 89.1° |
| C14 | N4 | C15 | C22 | 139.0° | 150.9° |
| N4 | C14 | C13 | H11 | 16.1° | 60.0° |
| C14 | N4 | C15 | H13 | 21.9° | 30.9° |
| C15 | N4 | C14 | O3 | 15.5° | 0.0° |
| N4 | C15 | C20 | C22 | 123.9° | 120.0° |
| N4 | C15 | C20 | H13 | 117.4° | 119.9° |
| N4 | C15 | C20 | C21 | 165.1° | 178.6° |
| N4 | C15 | C22 | H13 | 117.6° | 120.0° |
| N4 | C15 | C22 | C23 | 49.4° | 61.8° |
| N4 | C15 | C20 | O5 | 41.9° | 58.7° |
| N4 | C15 | C20 | H21 | 75.9° | 61.4° |
| N4 | C15 | C22 | H22 | 70.7° | 58.2° |
| N4 | C15 | C22 | H23 | 169.5° | 178.2° |
| C13 | C16 | C17 | H14 | 120.4° | 120.0° |
| C13 | C16 | C17 | H15 | 120.5° | 120.0° |
| C13 | C16 | C17 | C18 | 112.8° | 175.0° |
| C13 | C16 | C17 | C19 | 176.5° | 116.4° |
| C16 | C13 | C14 | O3 | 78.8° | 120.0° |
| C13 | C16 | C17 | H16 | 32.2° | 29.3° |
| C13 | C16 | H14 | H15 | 118.6° | 120.0° |
| C16 | C17 | C18 | C19 | 109.6° | 107.5° |
| C16 | C17 | C18 | H16 | 144.9° | 145.0° |
| C16 | C17 | C19 | H16 | 144.3° | 145.0° |
| C17 | C16 | C13 | H11 | 37.1° | 55.0° |
| C17 | C16 | H14 | H15 | 118.6° | 120.0° |
| C16 | C17 | C18 | H17 | 140.9° | 145.0° |
| C16 | C17 | C18 | H18 | 0.1° | 0.0° |
| C16 | C17 | C19 | H19 | 140.3° | 0.0° |
| C16 | C17 | C19 | H20 | 0.7° | 145.0° |
| C17 | C18 | C19 | H17 | 109.5° | 107.5° |
| C17 | C18 | C19 | H18 | 109.5° | 107.5° |
| C18 | C17 | C19 | H16 | 105.6° | 107.5° |
| C18 | C17 | C16 | H14 | 7.7° | 55.0° |
| C18 | C17 | C16 | H15 | 126.8° | 65.0° |
| C17 | C18 | H17 | H18 | 144.7° | 145.6° |
| C18 | C17 | C19 | H19 | 109.5° | 107.5° |
| C18 | C17 | C19 | H20 | 109.5° | 107.5° |
| C19 | C18 | H17 | H18 | 144.6° | 145.7° |
| C18 | C19 | H19 | H20 | 144.7° | 145.7° |
| C19 | C17 | C16 | H14 | 63.0° | 123.6° |
| C19 | C17 | C16 | H15 | 56.0° | 3.6° |
| C17 | C19 | H19 | H20 | 144.7° | 145.7° |
| O3 | C14 | C13 | H11 | 165.1° | 120.0° |
| O3 | C14 | N4 | H12 | 164.4° | 179.9° |
| C15 | C20 | C21 | O5 | 122.2° | 120.0° |
| C15 | C20 | C21 | H21 | 118.9° | 120.0° |
| C20 | C15 | C22 | H13 | 118.6° | 120.0° |
| C20 | C15 | C22 | C23 | 173.1° | 178.2° |
| C15 | C20 | C21 | N6 | 115.6° | 73.2° |
| C15 | C20 | O5 | H21 | 116.9° | 120.1° |
| C15 | C20 | C21 | O6 | 66.2° | 106.8° |
| C20 | C15 | C22 | H22 | 53.0° | 61.8° |
| C20 | C15 | C22 | H23 | 66.8° | 58.2° |
| C20 | C15 | N4 | H12 | 85.1° | 90.9° |
| C15 | C20 | O5 | H34 | 180.0° | 60.0° |
| C21 | C20 | C15 | C22 | 71.0° | 61.4° |
| C20 | C21 | N6 | O6 | 178.1° | 179.9° |
| C20 | C21 | N6 | C27 | 178.2° | 175.3° |
| C21 | C20 | O5 | H21 | 118.1° | 120.0° |
| C21 | C20 | C15 | H13 | 47.7° | 58.7° |
| C20 | C21 | N6 | H30 | 1.8° | 4.7° |
| C21 | C20 | O5 | H34 | 54.9° | 180.0° |
| C15 | C22 | C23 | H22 | 120.1° | 120.0° |
| C15 | C22 | C23 | H23 | 120.1° | 120.0° |
| C15 | C22 | C23 | C24 | 67.8° | 65.5° |
| C15 | C22 | C23 | C26 | 170.7° | 179.8° |
| C22 | C15 | C20 | O5 | 165.8° | 178.7° |
| C22 | C15 | C20 | H21 | 48.0° | 58.6° |
| C15 | C22 | H22 | H23 | 119.7° | 119.9° |
| C22 | C15 | N4 | H12 | 40.9° | 29.1° |
| C15 | C22 | C23 | H24 | 52.6° | 57.1° |
| C22 | C23 | C24 | C26 | 125.8° | 118.7° |
| C22 | C23 | C24 | H24 | 120.4° | 122.5° |
| C22 | C23 | C24 | C25 | 118.5° | 143.5° |
| C22 | C23 | C26 | N5 | 121.9° | 135.0° |
| C22 | C23 | C26 | H24 | 118.1° | 122.6° |
| C22 | C23 | C26 | O4 | 57.9° | 45.2° |
| C23 | C22 | C15 | H13 | 68.2° | 58.2° |
| C23 | C22 | H22 | H23 | 119.7° | 120.1° |
| C22 | C23 | C24 | H26 | 0.9° | 25.3° |
| C22 | C23 | C24 | H25 | 122.0° | 98.4° |
| C23 | C24 | C25 | H26 | 119.4° | 118.1° |
| C23 | C24 | C25 | H25 | 119.4° | 118.1° |
| C23 | C24 | C25 | N5 | 5.9° | 25.4° |
| C24 | C23 | C26 | N5 | 6.2° | 16.3° |
| C24 | C23 | C26 | H24 | 113.8° | 118.7° |
| C24 | C23 | C26 | O4 | 173.9° | 163.8° |
| C24 | C23 | C22 | H22 | 172.1° | 174.5° |
| C24 | C23 | C22 | H23 | 52.3° | 54.5° |
| C23 | C24 | H26 | H25 | 121.6° | 123.8° |
| C23 | C24 | C25 | H28 | 113.3° | 144.4° |
| C23 | C24 | C25 | H27 | 125.1° | 93.6° |
| C24 | C25 | N5 | H28 | 119.3° | 119.0° |
| C24 | C25 | N5 | H27 | 119.3° | 119.0° |
| C24 | C25 | N5 | C26 | 2.2° | 17.0° |
| C25 | C24 | C23 | C26 | 7.2° | 24.8° |
| C25 | C24 | H26 | H25 | 121.6° | 123.8° |
| C25 | C24 | C23 | H24 | 121.1° | 94.0° |
| C24 | C25 | H28 | H27 | 122.2° | 122.0° |
| C24 | C25 | N5 | H29 | 177.8° | 162.9° |
| C25 | N5 | C26 | H29 | 180.0° | 179.9° |
| C25 | N5 | C26 | C23 | 2.6° | 0.4° |
| C25 | N5 | C26 | O4 | 177.6° | 179.5° |
| N5 | C25 | C24 | H26 | 125.3° | 92.7° |
| N5 | C25 | C24 | H25 | 113.6° | 143.5° |
| N5 | C25 | H28 | H27 | 122.2° | 121.9° |
| N5 | C26 | C23 | O4 | 179.8° | 179.9° |
| N5 | C26 | C23 | H24 | 120.0° | 102.4° |
| C26 | N5 | C25 | H28 | 117.1° | 136.0° |
| C26 | N5 | C25 | H27 | 121.4° | 102.0° |
| C26 | C23 | C22 | H22 | 50.6° | 59.8° |
| C26 | C23 | C22 | H23 | 69.2° | 60.3° |
| C26 | C23 | C24 | H26 | 126.7° | 93.3° |
| C26 | C23 | C24 | H25 | 112.2° | 142.9° |
| C23 | C26 | N5 | H29 | 177.4° | 179.5° |
| O4 | C26 | C23 | H24 | 60.1° | 77.5° |
| O4 | C26 | N5 | H29 | 2.4° | 0.6° |
| C21 | N6 | C27 | H30 | 180.0° | 180.0° |
| N6 | C21 | C20 | O5 | 6.6° | 166.8° |
| N6 | C21 | C20 | H21 | 125.5° | 46.8° |
| C21 | N6 | C27 | H31 | 180.0° | 60.0° |
| C21 | N6 | C27 | H32 | 60.0° | 60.0° |
| C21 | N6 | C27 | H33 | 60.0° | 180.0° |
| C27 | N6 | C21 | O6 | 3.6° | 4.7° |
| N6 | C27 | H31 | H32 | 120.0° | 120.0° |
| N6 | C27 | H31 | H33 | 120.0° | 119.9° |
| N6 | C27 | H32 | H33 | 120.0° | 120.0° |
| O5 | C20 | C21 | O6 | 171.6° | 13.2° |
| O5 | C20 | C15 | H13 | 75.5° | 61.3° |
| O6 | C21 | C20 | H21 | 52.7° | 133.2° |
| O6 | C21 | N6 | H30 | 176.4° | 175.3° |
| H4 | C4 | C3 | H3 | 2.7° | 0.3° |
| H5 | C6 | C1 | H1 | 0.1° | 0.2° |
| H8 | C10 | C11 | H9 | 1.1° | 0.0° |
| H11 | C13 | C16 | H14 | 157.5° | 175.0° |
| H11 | C13 | C16 | H15 | 83.4° | 65.0° |
| H13 | C15 | C20 | H21 | 166.7° | 178.7° |
| H13 | C15 | C22 | H22 | 171.7° | 178.2° |
| H13 | C15 | C22 | H23 | 51.8° | 61.9° |
| H13 | C15 | N4 | H12 | 158.1° | 149.1° |
| H16 | C17 | C16 | H14 | 152.6° | 90.7° |
| H16 | C17 | C16 | H15 | 88.3° | 149.3° |
| H16 | C17 | C18 | H17 | 3.9° | 0.0° |
| H16 | C17 | C18 | H18 | 144.9° | 145.0° |
| H16 | C17 | C19 | H19 | 3.9° | 145.0° |
| H16 | C17 | C19 | H20 | 144.9° | 0.0° |
| H21 | C20 | O5 | H34 | 63.1° | 60.0° |
| H22 | C22 | C23 | H24 | 67.5° | 62.9° |
| H23 | C22 | C23 | H24 | 172.6° | 177.0° |
| H26 | C24 | C23 | H24 | 119.5° | 147.9° |
| H26 | C24 | C25 | H28 | 6.1° | 26.2° |
| H26 | C24 | C25 | H27 | 115.4° | 148.3° |
| H25 | C24 | C23 | H24 | 1.7° | 24.1° |
| H25 | C24 | C25 | H28 | 127.2° | 97.5° |
| H25 | C24 | C25 | H27 | 5.7° | 24.6° |
| H1 | C1 | C2 | H2 | 0.2° | 0.2° |
| H2 | C2 | C3 | H3 | 1.1° | 0.2° |
| H9 | C11 | C12 | H10 | 0.6° | 0.3° |
| H17 | C18 | C19 | H19 | 0.0° | 145.1° |
| H17 | C18 | C19 | H20 | 141.0° | 0.0° |
| H18 | C18 | C19 | H19 | 141.0° | 0.0° |
| H18 | C18 | C19 | H20 | 0.0° | 145.0° |
| H28 | C25 | N5 | H29 | 62.9° | 43.9° |
| H27 | C25 | N5 | H29 | 58.6° | 78.1° |
| H30 | N6 | C27 | H31 | 0.0° | 120.0° |
| H30 | N6 | C27 | H32 | 120.0° | 120.0° |
| H30 | N6 | C27 | H33 | 120.0° | 0.0° |
| H31 | C27 | H32 | H33 | 120.0° | 120.1° |
