WIQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.47Å | 1.38Å | Aromatic |
| C2 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.43Å | 1.26Å | |
| C3 | N4 | doub | 1.32Å | 1.39Å | Aromatic |
| C4 | C5 | trip | 1.17Å | 1.30Å | |
| C5 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.36Å | 1.39Å | Aromatic |
| C8 | C13 | doub | 1.41Å | 1.39Å | Aromatic |
| N2 | C9 | doub | 1.30Å | 1.31Å | Aromatic |
| C9 | N3 | sing | 1.36Å | 1.36Å | Aromatic |
| N3 | C10 | sing | 1.46Å | 1.43Å | |
| N3 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C15 | CL1 | sing | 1.74Å | 1.74Å | |
| N4 | N5 | sing | 1.40Å | 1.38Å | Aromatic |
| N5 | C16 | sing | 1.47Å | 1.46Å | |
| N5 | C25 | sing | 1.35Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C16 | C24 | sing | 1.55Å | 1.54Å | |
| C17 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C18 | sing | 1.35Å | 1.34Å | |
| N6 | C21 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.51Å | 1.48Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| C19 | C20 | sing | 1.53Å | 1.29Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C24 | sing | 1.54Å | 1.52Å | |
| C22 | O3 | sing | 1.43Å | 1.42Å | |
| O3 | C23 | sing | 1.43Å | 1.41Å | |
| C25 | N7 | sing | 1.38Å | 1.39Å | |
| N7 | C26 | sing | 1.47Å | 1.45Å | |
| C14 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| N7 | H25 | sing | 1.01Å | 1.00Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 123.1° | 120.0° |
| O1 | C1 | C2 | 118.6° | 120.0° |
| N1 | C1 | C2 | 118.2° | 120.0° |
| C1 | N1 | H1 | 120.0° | 120.0° |
| C1 | N1 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | 126.4° | 126.9° |
| C1 | C2 | C25 | 124.5° | 127.0° |
| C3 | C2 | C25 | 109.0° | 106.2° |
| C2 | C3 | C4 | 123.2° | 126.5° |
| C2 | C3 | N4 | 106.7° | 107.1° |
| C2 | C25 | N5 | 106.9° | 107.6° |
| C2 | C25 | N7 | 128.2° | 126.2° |
| C4 | C3 | N4 | 129.9° | 126.5° |
| C3 | C4 | C5 | 179.8° | 180.0° |
| C3 | N4 | N5 | 107.3° | 109.3° |
| C4 | C5 | C6 | 175.1° | 179.9° |
| C5 | C6 | C7 | 116.6° | 119.9° |
| C5 | C6 | C15 | 122.8° | 120.0° |
| C7 | C6 | C15 | 120.5° | 120.2° |
| C6 | C7 | C8 | 119.2° | 119.5° |
| C6 | C7 | H3 | 120.4° | 120.3° |
| C6 | C15 | C14 | 120.2° | 120.4° |
| C6 | C15 | CL1 | 120.3° | 119.8° |
| C7 | C8 | N2 | 130.9° | 133.5° |
| C7 | C8 | C13 | 119.5° | 119.5° |
| C8 | C7 | H3 | 120.4° | 120.2° |
| N2 | C8 | C13 | 109.5° | 107.0° |
| C8 | N2 | C9 | 105.4° | 109.6° |
| C8 | C13 | N3 | 105.4° | 105.9° |
| C8 | C13 | C14 | 121.7° | 120.2° |
| N2 | C9 | N3 | 112.8° | 110.1° |
| N2 | C9 | H4 | 123.6° | 124.9° |
| C9 | N3 | C10 | 125.4° | 126.4° |
| C9 | N3 | C13 | 106.8° | 107.3° |
| N3 | C9 | H4 | 123.6° | 124.9° |
| C10 | N3 | C13 | 127.7° | 126.3° |
| N3 | C10 | C11 | 118.0° | 117.5° |
| N3 | C10 | C12 | 117.2° | 117.5° |
| N3 | C10 | H5 | 117.4° | 115.6° |
| N3 | C13 | C14 | 132.9° | 133.9° |
| C11 | C10 | C12 | 59.5° | 60.0° |
| C10 | C11 | C12 | 60.3° | 60.0° |
| C10 | C11 | H6 | 119.9° | 117.5° |
| C10 | C11 | H7 | 119.9° | 117.5° |
| C11 | C10 | H5 | 116.0° | 117.5° |
| C10 | C12 | C11 | 60.3° | 60.0° |
| C12 | C10 | H5 | 116.0° | 117.5° |
| C10 | C12 | H9 | 119.9° | 117.5° |
| C10 | C12 | H8 | 120.0° | 117.5° |
| C12 | C11 | H6 | 120.0° | 117.5° |
| C12 | C11 | H7 | 119.9° | 117.5° |
| C11 | C12 | H9 | 120.0° | 117.5° |
| C11 | C12 | H8 | 120.0° | 117.5° |
| C13 | C14 | C15 | 118.5° | 120.2° |
| C13 | C14 | H10 | 120.7° | 119.9° |
| C14 | C15 | CL1 | 118.6° | 119.8° |
| C15 | C14 | H10 | 120.8° | 119.9° |
| N4 | N5 | C16 | 120.6° | 125.1° |
| N4 | N5 | C25 | 109.9° | 109.8° |
| C16 | N5 | C25 | 127.6° | 125.1° |
| N5 | C16 | C17 | 117.7° | 111.0° |
| N5 | C16 | C24 | 110.7° | 111.0° |
| N5 | C16 | H11 | 108.0° | 110.9° |
| N5 | C25 | N7 | 124.8° | 126.2° |
| C17 | C16 | C24 | 105.7° | 101.6° |
| C16 | C17 | N6 | 104.3° | 104.8° |
| C17 | C16 | H11 | 107.2° | 111.0° |
| C16 | C17 | H13 | 110.7° | 110.4° |
| C16 | C17 | H12 | 110.7° | 110.4° |
| C16 | C24 | C21 | 105.4° | 102.9° |
| C24 | C16 | H11 | 107.0° | 111.0° |
| C16 | C24 | H24 | 110.5° | 110.7° |
| C16 | C24 | H23 | 110.5° | 110.8° |
| C17 | N6 | C18 | 122.9° | 125.6° |
| C17 | N6 | C21 | 111.1° | 108.7° |
| N6 | C17 | H13 | 110.7° | 110.4° |
| N6 | C17 | H12 | 110.7° | 110.4° |
| C18 | N6 | C21 | 122.1° | 125.7° |
| N6 | C18 | C19 | 114.8° | 120.0° |
| N6 | C18 | O2 | 121.2° | 120.0° |
| N6 | C21 | C22 | 114.3° | 109.8° |
| N6 | C21 | C24 | 100.2° | 107.3° |
| N6 | C21 | H17 | 110.1° | 109.9° |
| C19 | C18 | O2 | 121.7° | 120.0° |
| C18 | C19 | C20 | 123.6° | 109.5° |
| C18 | C19 | H14 | 105.8° | 109.5° |
| C18 | C19 | H29 | 105.8° | 109.5° |
| C20 | C19 | H14 | 105.8° | 109.4° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C19 | C20 | H16 | 109.5° | 109.5° |
| C20 | C19 | H29 | 105.8° | 109.5° |
| C19 | C20 | H30 | 109.4° | 109.4° |
| C22 | C21 | C24 | 112.4° | 109.9° |
| C21 | C22 | O3 | 107.0° | 109.5° |
| C22 | C21 | H17 | 109.8° | 109.9° |
| C21 | C22 | H18 | 110.1° | 109.5° |
| C21 | C22 | H19 | 110.1° | 109.4° |
| C24 | C21 | H17 | 109.6° | 110.0° |
| C21 | C24 | H24 | 110.5° | 110.7° |
| C21 | C24 | H23 | 110.5° | 110.7° |
| C22 | O3 | C23 | 112.2° | 114.0° |
| O3 | C22 | H18 | 110.1° | 109.5° |
| O3 | C22 | H19 | 110.1° | 109.5° |
| O3 | C23 | H21 | 109.5° | 109.5° |
| O3 | C23 | H20 | 109.5° | 109.5° |
| O3 | C23 | H22 | 109.5° | 109.6° |
| C25 | N7 | C26 | 124.9° | 111.0° |
| C25 | N7 | H25 | 105.5° | 111.0° |
| C26 | N7 | H25 | 105.5° | 111.0° |
| N7 | C26 | H28 | 109.5° | 109.5° |
| N7 | C26 | H27 | 109.5° | 109.5° |
| N7 | C26 | H26 | 109.4° | 109.5° |
| H6 | C11 | H7 | 109.5° | 115.5° |
| H9 | C12 | H8 | 109.5° | 115.6° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H13 | C17 | H12 | 109.5° | 110.4° |
| H14 | C19 | H29 | 109.5° | 109.5° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H15 | C20 | H30 | 109.5° | 109.5° |
| H16 | C20 | H30 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H21 | C23 | H20 | 109.5° | 109.4° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H20 | C23 | H22 | 109.4° | 109.4° |
| H24 | C24 | H23 | 109.4° | 110.8° |
| H28 | C26 | H27 | 109.5° | 109.6° |
| H28 | C26 | H26 | 109.5° | 109.4° |
| H27 | C26 | H26 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C2 | 178.6° | 179.9° |
| O1 | C1 | C2 | C3 | 175.7° | 90.0° |
| O1 | C1 | C2 | C25 | 7.5° | 90.0° |
| O1 | C1 | N1 | H1 | 0.0° | 0.1° |
| O1 | C1 | N1 | H2 | 180.0° | 180.0° |
| N1 | C1 | C2 | C3 | 2.9° | 90.1° |
| N1 | C1 | C2 | C25 | 173.9° | 89.9° |
| C1 | N1 | H1 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C25 | 177.2° | 180.0° |
| C1 | C2 | C3 | C4 | 2.8° | 0.0° |
| C1 | C2 | C3 | N4 | 178.2° | 179.7° |
| C1 | C2 | C25 | N5 | 177.8° | 179.8° |
| C1 | C2 | C25 | N7 | 0.3° | 0.0° |
| C2 | C1 | N1 | H1 | 178.6° | 180.0° |
| C2 | C1 | N1 | H2 | 1.4° | 0.1° |
| C2 | C3 | C4 | N4 | 174.2° | 179.7° |
| C2 | C3 | C4 | C5 | 50.2° | 52.6° |
| C2 | C3 | N4 | N5 | 2.6° | 0.2° |
| C3 | C2 | C25 | N5 | 4.9° | 0.2° |
| C3 | C2 | C25 | N7 | 177.6° | 180.0° |
| C25 | C2 | C3 | C4 | 180.0° | 180.0° |
| C25 | C2 | C3 | N4 | 4.6° | 0.3° |
| C2 | C25 | N5 | N4 | 3.2° | 0.0° |
| C2 | C25 | N5 | C16 | 167.3° | 179.9° |
| C2 | C25 | N5 | N7 | 177.6° | 179.8° |
| C2 | C25 | N7 | C26 | 177.8° | 26.3° |
| C2 | C25 | N7 | H25 | 55.7° | 97.7° |
| C3 | C4 | C5 | C6 | 159.0° | 154.0° |
| C4 | C3 | N4 | N5 | 177.5° | 180.0° |
| N4 | C3 | C4 | C5 | 124.0° | 127.1° |
| C3 | N4 | N5 | C16 | 165.8° | 179.9° |
| C3 | N4 | N5 | C25 | 0.4° | 0.1° |
| C4 | C5 | C6 | C7 | 48.1° | 153.1° |
| C4 | C5 | C6 | C15 | 131.1° | 26.9° |
| C5 | C6 | C7 | C15 | 179.2° | 180.0° |
| C5 | C6 | C7 | C8 | 175.5° | 179.5° |
| C5 | C6 | C15 | C14 | 173.2° | 180.0° |
| C5 | C6 | C15 | CL1 | 4.2° | 0.0° |
| C5 | C6 | C7 | H3 | 4.5° | 0.1° |
| C6 | C7 | C8 | H3 | 180.0° | 179.5° |
| C6 | C7 | C8 | N2 | 179.0° | 180.0° |
| C6 | C7 | C8 | C13 | 2.0° | 0.8° |
| C7 | C6 | C15 | C14 | 7.7° | 0.0° |
| C7 | C6 | C15 | CL1 | 176.6° | 180.0° |
| C15 | C6 | C7 | C8 | 5.3° | 0.6° |
| C6 | C15 | C14 | C13 | 6.6° | 0.3° |
| C6 | C15 | C14 | CL1 | 169.1° | 180.0° |
| C6 | C15 | C14 | H10 | 173.4° | 180.0° |
| C15 | C6 | C7 | H3 | 174.7° | 179.9° |
| C7 | C8 | N2 | C13 | 177.2° | 179.3° |
| C7 | C8 | N2 | C9 | 178.7° | 179.4° |
| C7 | C8 | C13 | N3 | 177.8° | 179.5° |
| C7 | C8 | C13 | C14 | 1.1° | 0.5° |
| C8 | N2 | C9 | N3 | 2.2° | 0.1° |
| N2 | C8 | C13 | N3 | 0.2° | 0.1° |
| N2 | C8 | C13 | C14 | 178.7° | 179.9° |
| N2 | C8 | C7 | H3 | 0.9° | 0.4° |
| C8 | N2 | C9 | H4 | 177.8° | 179.9° |
| C13 | C8 | N2 | C9 | 1.4° | 0.1° |
| C8 | C13 | N3 | C9 | 1.0° | 0.0° |
| C8 | C13 | N3 | C10 | 178.0° | 179.9° |
| C8 | C13 | N3 | C14 | 178.8° | 180.0° |
| C8 | C13 | C14 | C15 | 3.4° | 0.0° |
| C8 | C13 | C14 | H10 | 176.6° | 179.8° |
| C13 | C8 | C7 | H3 | 177.9° | 179.7° |
| N2 | C9 | N3 | H4 | 180.0° | 180.0° |
| N2 | C9 | N3 | C10 | 179.1° | 179.9° |
| N2 | C9 | N3 | C13 | 2.1° | 0.0° |
| C9 | N3 | C10 | C13 | 176.4° | 179.9° |
| C9 | N3 | C10 | C11 | 26.4° | 59.9° |
| C9 | N3 | C10 | C12 | 94.4° | 8.7° |
| C9 | N3 | C13 | C14 | 179.8° | 180.0° |
| C9 | N3 | C10 | H5 | 120.3° | 154.3° |
| N3 | C10 | C11 | C12 | 106.6° | 107.4° |
| N3 | C10 | C11 | H5 | 147.2° | 145.1° |
| N3 | C10 | C12 | H5 | 145.7° | 145.0° |
| C10 | N3 | C13 | C14 | 3.3° | 0.1° |
| N3 | C10 | C11 | H6 | 2.9° | 0.1° |
| N3 | C10 | C11 | H7 | 143.8° | 145.0° |
| C10 | N3 | C9 | H4 | 0.9° | 0.1° |
| N3 | C10 | C12 | H9 | 142.3° | 0.0° |
| N3 | C10 | C12 | H8 | 1.4° | 145.0° |
| C13 | N3 | C10 | C11 | 157.2° | 120.0° |
| C13 | N3 | C10 | C12 | 89.2° | 171.4° |
| N3 | C13 | C14 | C15 | 175.2° | 180.0° |
| N3 | C13 | C14 | H10 | 4.8° | 0.3° |
| C13 | N3 | C9 | H4 | 177.9° | 180.0° |
| C13 | N3 | C10 | H5 | 56.1° | 25.8° |
| C11 | C10 | C12 | H5 | 106.2° | 107.5° |
| C10 | C11 | C12 | H6 | 109.5° | 107.5° |
| C10 | C11 | C12 | H7 | 109.6° | 107.5° |
| C10 | C11 | H6 | H7 | 144.6° | 145.7° |
| C11 | C10 | C12 | H9 | 109.6° | 107.5° |
| C11 | C10 | C12 | H8 | 109.5° | 107.5° |
| C10 | C12 | H9 | H8 | 144.6° | 145.7° |
| C12 | C11 | H6 | H7 | 144.6° | 145.7° |
| C11 | C12 | H9 | H8 | 144.6° | 145.7° |
| C13 | C14 | C15 | H10 | 180.0° | 179.7° |
| C13 | C14 | C15 | CL1 | 175.7° | 179.7° |
| CL1 | C15 | C14 | H10 | 4.3° | 0.0° |
| N4 | N5 | C16 | C25 | 162.6° | 179.9° |
| N4 | N5 | C16 | C17 | 60.5° | 54.8° |
| N4 | N5 | C16 | C24 | 61.1° | 57.4° |
| N4 | N5 | C25 | N7 | 179.2° | 179.9° |
| N4 | N5 | C16 | H11 | 178.0° | 178.7° |
| N5 | C16 | C17 | C24 | 124.2° | 118.1° |
| N5 | C16 | C17 | H11 | 121.9° | 123.8° |
| N5 | C16 | C24 | H11 | 117.5° | 123.8° |
| N5 | C16 | C17 | N6 | 126.5° | 81.1° |
| N5 | C16 | C24 | C21 | 152.2° | 82.6° |
| C16 | N5 | C25 | N7 | 15.1° | 0.1° |
| N5 | C16 | C17 | H13 | 7.4° | 37.8° |
| N5 | C16 | C17 | H12 | 114.3° | 160.1° |
| N5 | C16 | C24 | H24 | 88.5° | 159.1° |
| N5 | C16 | C24 | H23 | 32.8° | 35.8° |
| C25 | N5 | C16 | C17 | 136.9° | 125.3° |
| C25 | N5 | C16 | C24 | 101.4° | 122.5° |
| N5 | C25 | N7 | C26 | 0.7° | 153.9° |
| C25 | N5 | C16 | H11 | 15.5° | 1.4° |
| N5 | C25 | N7 | H25 | 121.4° | 82.1° |
| C17 | C16 | C24 | H11 | 114.0° | 118.1° |
| C16 | C17 | N6 | H13 | 119.2° | 118.8° |
| C16 | C17 | N6 | H12 | 119.1° | 118.9° |
| C16 | C17 | N6 | C18 | 136.9° | 155.9° |
| C16 | C17 | N6 | C21 | 21.0° | 24.1° |
| C17 | C16 | C24 | C21 | 23.7° | 35.5° |
| C16 | C17 | H13 | H12 | 122.4° | 122.3° |
| C17 | C16 | C24 | H24 | 143.0° | 82.8° |
| C17 | C16 | C24 | H23 | 95.7° | 153.9° |
| C24 | C16 | C17 | N6 | 2.3° | 37.0° |
| C16 | C24 | C21 | N6 | 34.6° | 22.2° |
| C16 | C24 | C21 | C22 | 87.1° | 141.6° |
| C16 | C24 | C21 | H24 | 119.4° | 118.3° |
| C16 | C24 | C21 | H23 | 119.4° | 118.4° |
| C24 | C16 | C17 | H13 | 116.8° | 155.8° |
| C24 | C16 | C17 | H12 | 121.5° | 81.9° |
| C16 | C24 | C21 | H17 | 150.4° | 97.3° |
| C16 | C24 | H24 | H23 | 121.9° | 123.3° |
| C17 | N6 | C18 | C21 | 155.5° | 180.0° |
| C17 | N6 | C18 | C19 | 129.9° | 0.0° |
| C17 | N6 | C18 | O2 | 33.2° | 180.0° |
| C17 | N6 | C21 | C22 | 85.2° | 118.3° |
| C17 | N6 | C21 | C24 | 35.2° | 1.0° |
| N6 | C17 | C16 | H11 | 111.6° | 155.1° |
| N6 | C17 | H13 | H12 | 122.4° | 122.3° |
| C17 | N6 | C21 | H17 | 150.6° | 120.6° |
| N6 | C18 | C19 | O2 | 163.0° | 179.9° |
| N6 | C18 | C19 | C20 | 122.8° | 180.0° |
| C18 | N6 | C21 | C22 | 116.6° | 61.6° |
| C18 | N6 | C21 | C24 | 122.9° | 179.0° |
| C18 | N6 | C17 | H13 | 17.7° | 37.1° |
| C18 | N6 | C17 | H12 | 104.0° | 85.2° |
| N6 | C18 | C19 | H14 | 115.3° | 60.0° |
| C18 | N6 | C21 | H17 | 7.5° | 59.4° |
| N6 | C18 | C19 | H29 | 0.9° | 60.0° |
| C21 | N6 | C18 | C19 | 25.6° | 180.0° |
| C21 | N6 | C18 | O2 | 171.3° | 0.0° |
| N6 | C21 | C22 | C24 | 113.4° | 117.8° |
| N6 | C21 | C22 | H17 | 124.3° | 121.0° |
| N6 | C21 | C24 | H17 | 115.8° | 119.5° |
| N6 | C21 | C22 | O3 | 168.0° | 66.5° |
| C21 | N6 | C17 | H13 | 140.2° | 143.0° |
| C21 | N6 | C17 | H12 | 98.1° | 94.8° |
| N6 | C21 | C22 | H18 | 48.4° | 53.5° |
| N6 | C21 | C22 | H19 | 72.4° | 173.6° |
| N6 | C21 | C24 | H24 | 154.0° | 96.1° |
| N6 | C21 | C24 | H23 | 84.7° | 140.6° |
| C18 | C19 | C20 | H14 | 121.9° | 120.0° |
| C18 | C19 | C20 | H29 | 121.9° | 120.0° |
| C18 | C19 | H14 | H29 | 113.7° | 120.0° |
| C18 | C19 | C20 | H15 | 180.0° | 60.0° |
| C18 | C19 | C20 | H16 | 60.0° | 180.0° |
| C18 | C19 | C20 | H30 | 60.0° | 60.0° |
| O2 | C18 | C19 | C20 | 40.2° | 0.0° |
| O2 | C18 | C19 | H14 | 81.7° | 119.9° |
| O2 | C18 | C19 | H29 | 162.1° | 120.0° |
| C20 | C19 | H14 | H29 | 113.7° | 120.0° |
| C19 | C20 | H15 | H16 | 120.0° | 120.0° |
| C19 | C20 | H15 | H30 | 120.0° | 120.0° |
| C19 | C20 | H16 | H30 | 120.0° | 120.0° |
| C22 | C21 | C24 | H17 | 122.5° | 121.1° |
| C21 | C22 | O3 | H18 | 119.6° | 120.0° |
| C21 | C22 | O3 | H19 | 119.6° | 119.9° |
| C21 | C22 | O3 | C23 | 162.7° | 180.0° |
| C21 | C22 | H18 | H19 | 121.1° | 120.0° |
| C22 | C21 | C24 | H24 | 32.3° | 23.2° |
| C22 | C21 | C24 | H23 | 153.5° | 100.0° |
| C24 | C21 | C22 | O3 | 78.6° | 175.7° |
| C21 | C24 | C16 | H11 | 90.3° | 153.6° |
| C24 | C21 | C22 | H18 | 161.8° | 64.2° |
| C24 | C21 | C22 | H19 | 41.0° | 55.8° |
| C21 | C24 | H24 | H23 | 121.9° | 123.2° |
| O3 | C22 | C21 | H17 | 43.7° | 54.5° |
| O3 | C22 | H18 | H19 | 121.2° | 120.0° |
| C22 | O3 | C23 | H21 | 180.0° | 60.0° |
| C22 | O3 | C23 | H20 | 60.0° | 60.0° |
| C22 | O3 | C23 | H22 | 60.0° | 180.0° |
| C23 | O3 | C22 | H18 | 43.1° | 60.0° |
| C23 | O3 | C22 | H19 | 77.7° | 60.0° |
| O3 | C23 | H21 | H20 | 120.0° | 120.0° |
| O3 | C23 | H21 | H22 | 120.0° | 120.1° |
| O3 | C23 | H20 | H22 | 120.0° | 120.1° |
| C25 | N7 | C26 | H25 | 122.1° | 124.0° |
| C25 | N7 | C26 | H28 | 180.0° | 72.2° |
| C25 | N7 | C26 | H27 | 60.0° | 167.7° |
| C25 | N7 | C26 | H26 | 60.0° | 47.7° |
| N7 | C26 | H28 | H27 | 120.0° | 120.1° |
| N7 | C26 | H28 | H26 | 120.0° | 120.0° |
| N7 | C26 | H27 | H26 | 120.0° | 120.0° |
| H6 | C11 | C10 | H5 | 144.3° | 145.1° |
| H6 | C11 | C12 | H9 | 141.0° | 0.0° |
| H6 | C11 | C12 | H8 | 0.0° | 145.0° |
| H7 | C11 | C10 | H5 | 3.4° | 0.1° |
| H7 | C11 | C12 | H9 | 0.0° | 145.0° |
| H7 | C11 | C12 | H8 | 140.9° | 0.1° |
| H5 | C10 | C12 | H9 | 3.4° | 145.0° |
| H5 | C10 | C12 | H8 | 144.3° | 0.1° |
| H11 | C16 | C17 | H13 | 129.3° | 86.0° |
| H11 | C16 | C17 | H12 | 7.6° | 36.3° |
| H11 | C16 | C24 | H24 | 29.0° | 35.3° |
| H11 | C16 | C24 | H23 | 150.3° | 88.0° |
| H14 | C19 | C20 | H15 | 58.1° | 60.0° |
| H14 | C19 | C20 | H16 | 178.1° | 60.0° |
| H14 | C19 | C20 | H30 | 61.9° | 180.0° |
| H15 | C20 | H16 | H30 | 120.0° | 120.0° |
| H15 | C20 | C19 | H29 | 58.1° | 180.0° |
| H16 | C20 | C19 | H29 | 61.9° | 60.0° |
| H17 | C21 | C22 | H18 | 75.9° | 174.6° |
| H17 | C21 | C22 | H19 | 163.4° | 65.4° |
| H17 | C21 | C24 | H24 | 90.2° | 144.3° |
| H17 | C21 | C24 | H23 | 31.0° | 21.1° |
| H21 | C23 | H20 | H22 | 120.0° | 120.0° |
| H25 | N7 | C26 | H28 | 57.9° | 51.8° |
| H25 | N7 | C26 | H27 | 177.9° | 68.3° |
| H25 | N7 | C26 | H26 | 62.1° | 171.7° |
| H28 | C26 | H27 | H26 | 120.0° | 119.9° |
| H29 | C19 | C20 | H30 | 178.1° | 60.0° |
