Q8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C23 | doub | 1.34Å | 1.34Å | Aromatic |
| N6 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| N7 | C23 | sing | 1.36Å | 1.36Å | Aromatic |
| N7 | C24 | sing | 1.37Å | 1.36Å | Aromatic |
| C23 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.36Å | Aromatic |
| C27 | C25 | sing | 1.47Å | 1.43Å | Aromatic |
| C27 | C21 | doub | 1.40Å | 1.43Å | Aromatic |
| N5 | C21 | sing | 1.33Å | 1.35Å | Aromatic |
| C25 | C26 | sing | 1.50Å | 1.48Å | |
| C21 | N4 | sing | 1.39Å | 1.37Å | |
| C26 | N1 | sing | 1.50Å | 1.45Å | |
| N4 | C10 | sing | 1.39Å | 1.39Å | |
| C1 | N1 | sing | 1.50Å | 1.47Å | |
| N1 | C2 | sing | 1.50Å | 1.47Å | |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | O3 | sing | 1.36Å | 1.37Å | |
| C8 | O2 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C14 | O3 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C17 | C18 | sing | 1.55Å | 1.53Å | |
| C17 | C16 | sing | 1.54Å | 1.55Å | |
| O2 | C7 | sing | 1.44Å | 1.41Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.55Å | 1.50Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| N2 | C4 | sing | 1.49Å | 1.46Å | |
| N2 | C6 | sing | 1.37Å | 1.35Å | |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| N3 | C16 | sing | 1.46Å | 1.46Å | |
| C15 | O4 | doub | 1.21Å | 1.24Å | |
| C6 | O1 | doub | 1.22Å | 1.22Å | |
| C16 | C20 | sing | 1.54Å | 1.52Å | |
| C19 | C20 | sing | 1.54Å | 1.50Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.08Å | 1.10Å | |
| C26 | H20 | sing | 1.10Å | 1.10Å | |
| N7 | H21 | sing | 0.97Å | 1.00Å | |
| C24 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.08Å | 1.10Å | |
| C2 | H27 | sing | 1.08Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C17 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N6 | C22 | 114.2° | 120.6° |
| N6 | C23 | N7 | 127.2° | 134.4° |
| N6 | C23 | C27 | 125.6° | 118.4° |
| N6 | C22 | N5 | 128.8° | 123.0° |
| N6 | C22 | H23 | 115.6° | 118.4° |
| C23 | N7 | C24 | 109.3° | 110.2° |
| N7 | C23 | C27 | 107.1° | 107.2° |
| C23 | N7 | H21 | 125.3° | 124.9° |
| N7 | C24 | C25 | 110.3° | 109.9° |
| C24 | N7 | H21 | 125.4° | 124.9° |
| N7 | C24 | H22 | 124.9° | 125.4° |
| C23 | C27 | C25 | 107.4° | 106.2° |
| C23 | C27 | C21 | 112.8° | 118.6° |
| C22 | N5 | C21 | 114.7° | 120.7° |
| N5 | C22 | H23 | 115.6° | 118.7° |
| C24 | C25 | C27 | 105.9° | 106.3° |
| C24 | C25 | C26 | 123.2° | 126.0° |
| C25 | C24 | H22 | 124.8° | 124.7° |
| C25 | C27 | C21 | 139.7° | 135.2° |
| C27 | C25 | C26 | 130.6° | 127.7° |
| C27 | C21 | N5 | 123.9° | 118.5° |
| C27 | C21 | N4 | 116.8° | 121.2° |
| N5 | C21 | N4 | 119.1° | 120.3° |
| C25 | C26 | N1 | 113.2° | 111.4° |
| C25 | C26 | H19 | 108.5° | 111.2° |
| C25 | C26 | H20 | 108.5° | 108.8° |
| C21 | N4 | C10 | 133.2° | 121.9° |
| C21 | N4 | H15 | 113.4° | 118.0° |
| C26 | N1 | C1 | 111.1° | 106.2° |
| C26 | N1 | C2 | 111.9° | 106.5° |
| N1 | C26 | H19 | 108.5° | 109.2° |
| N1 | C26 | H20 | 108.6° | 107.1° |
| N4 | C10 | C11 | 123.5° | 121.6° |
| N4 | C10 | C9 | 116.4° | 118.9° |
| C10 | N4 | H15 | 113.4° | 120.1° |
| C1 | N1 | C2 | 112.6° | 103.7° |
| N1 | C1 | H16 | 109.5° | 109.5° |
| N1 | C1 | H17 | 109.5° | 109.4° |
| N1 | C1 | H18 | 109.4° | 109.4° |
| N1 | C2 | C3 | 112.6° | 108.8° |
| N1 | C2 | H26 | 108.7° | 108.9° |
| N1 | C2 | H27 | 108.7° | 107.8° |
| C10 | C11 | C12 | 120.2° | 120.4° |
| C11 | C10 | C9 | 120.1° | 119.5° |
| C10 | C11 | H10 | 119.9° | 120.1° |
| C11 | C12 | C13 | 120.0° | 119.5° |
| C12 | C11 | H10 | 119.9° | 119.5° |
| C11 | C12 | H11 | 120.0° | 120.1° |
| C10 | C9 | C8 | 119.8° | 120.7° |
| C10 | C9 | H9 | 120.1° | 118.9° |
| C12 | C13 | C8 | 119.8° | 120.5° |
| C12 | C13 | O3 | 126.1° | 119.6° |
| C13 | C12 | H11 | 120.0° | 120.3° |
| C2 | C3 | C4 | 114.6° | 109.8° |
| C2 | C3 | H24 | 108.2° | 109.5° |
| C2 | C3 | H25 | 108.2° | 109.4° |
| C3 | C2 | H26 | 108.7° | 110.1° |
| C3 | C2 | H27 | 108.7° | 109.7° |
| C9 | C8 | C13 | 119.8° | 119.3° |
| C9 | C8 | O2 | 125.3° | 118.8° |
| C8 | C9 | H9 | 120.1° | 120.3° |
| C8 | C13 | O3 | 114.0° | 119.9° |
| C13 | C8 | O2 | 114.9° | 121.9° |
| C13 | O3 | C14 | 118.8° | 117.0° |
| C8 | O2 | C7 | 117.8° | 117.0° |
| C3 | C4 | N2 | 110.5° | 109.6° |
| C3 | C4 | H1 | 109.2° | 109.4° |
| C3 | C4 | H2 | 109.2° | 109.6° |
| C4 | C3 | H24 | 108.2° | 110.3° |
| C4 | C3 | H25 | 108.2° | 109.2° |
| O3 | C14 | C15 | 111.0° | 109.4° |
| O3 | C14 | H13 | 109.1° | 109.5° |
| O3 | C14 | H14 | 109.1° | 109.5° |
| C14 | C15 | N3 | 116.2° | 120.0° |
| C14 | C15 | O4 | 119.9° | 120.0° |
| C15 | C14 | H13 | 109.1° | 109.5° |
| C15 | C14 | H14 | 109.1° | 109.4° |
| C18 | C17 | C16 | 105.7° | 104.2° |
| C17 | C18 | C19 | 106.1° | 102.8° |
| C17 | C18 | H33 | 110.3° | 110.8° |
| C17 | C18 | H34 | 110.3° | 110.9° |
| C18 | C17 | H35 | 110.4° | 110.5° |
| C18 | C17 | H36 | 110.4° | 110.5° |
| C17 | C16 | N3 | 112.6° | 110.1° |
| C17 | C16 | C20 | 103.0° | 106.6° |
| C17 | C16 | H28 | 108.9° | 110.1° |
| C16 | C17 | H35 | 110.4° | 110.4° |
| C16 | C17 | H36 | 110.4° | 110.4° |
| O2 | C7 | C6 | 109.1° | 109.1° |
| O2 | C7 | H7 | 109.6° | 109.0° |
| O2 | C7 | H8 | 109.6° | 109.5° |
| C5 | N2 | C4 | 116.3° | 122.6° |
| C5 | N2 | C6 | 124.6° | 122.8° |
| N2 | C5 | H3 | 109.5° | 109.5° |
| N2 | C5 | H4 | 109.5° | 109.5° |
| N2 | C5 | H5 | 109.4° | 109.5° |
| C18 | C19 | C20 | 103.6° | 104.2° |
| C18 | C19 | H31 | 110.9° | 110.5° |
| C18 | C19 | H32 | 110.9° | 110.6° |
| C19 | C18 | H33 | 110.3° | 110.8° |
| C19 | C18 | H34 | 110.3° | 110.8° |
| C7 | C6 | N2 | 117.3° | 119.4° |
| C7 | C6 | O1 | 120.9° | 120.1° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C6 | C7 | H8 | 109.6° | 110.1° |
| C4 | N2 | C6 | 119.1° | 114.7° |
| N2 | C4 | H1 | 109.2° | 109.2° |
| N2 | C4 | H2 | 109.2° | 110.1° |
| N2 | C6 | O1 | 121.8° | 120.5° |
| C15 | N3 | C16 | 123.4° | 120.0° |
| N3 | C15 | O4 | 123.9° | 120.0° |
| C15 | N3 | H12 | 118.3° | 120.0° |
| N3 | C16 | C20 | 112.7° | 110.0° |
| C16 | N3 | H12 | 118.3° | 120.0° |
| N3 | C16 | H28 | 110.1° | 110.0° |
| C16 | C20 | C19 | 103.8° | 106.6° |
| C20 | C16 | H28 | 109.3° | 110.0° |
| C16 | C20 | H29 | 110.8° | 110.0° |
| C16 | C20 | H30 | 110.9° | 110.0° |
| C19 | C20 | H29 | 110.9° | 110.1° |
| C19 | C20 | H30 | 110.9° | 110.1° |
| C20 | C19 | H31 | 110.9° | 110.5° |
| C20 | C19 | H32 | 110.9° | 110.5° |
| H1 | C4 | H2 | 109.4° | 108.9° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H7 | C7 | H8 | 109.5° | 109.7° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H16 | C1 | H18 | 109.4° | 109.6° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.1° |
| H24 | C3 | H25 | 109.5° | 108.6° |
| H26 | C2 | H27 | 109.5° | 111.4° |
| H29 | C20 | H30 | 109.5° | 110.0° |
| H31 | C19 | H32 | 109.5° | 110.4° |
| H33 | C18 | H34 | 109.5° | 110.6° |
| H35 | C17 | H36 | 109.5° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C23 | N7 | C27 | 176.1° | 178.7° |
| N6 | C23 | N7 | C24 | 176.8° | 177.3° |
| C23 | N6 | C22 | N5 | 0.4° | 2.4° |
| N6 | C23 | C27 | C25 | 176.1° | 175.4° |
| N6 | C23 | C27 | C21 | 0.6° | 5.3° |
| N6 | C23 | N7 | H21 | 3.3° | 2.7° |
| C23 | N6 | C22 | H23 | 179.6° | 177.3° |
| C22 | N6 | C23 | N7 | 175.4° | 179.5° |
| C22 | N6 | C23 | C27 | 0.0° | 0.9° |
| N6 | C22 | N5 | H23 | 180.0° | 179.7° |
| N6 | C22 | N5 | C21 | 0.1° | 1.1° |
| C23 | N7 | C24 | H21 | 180.0° | 180.0° |
| C23 | N7 | C24 | C25 | 1.2° | 1.5° |
| N7 | C23 | C27 | C25 | 0.1° | 3.5° |
| N7 | C23 | C27 | C21 | 176.8° | 175.8° |
| C23 | N7 | C24 | H22 | 178.8° | 178.0° |
| C24 | N7 | C23 | C27 | 0.7° | 1.4° |
| N7 | C24 | C25 | H22 | 180.0° | 179.5° |
| N7 | C24 | C25 | C27 | 1.3° | 3.6° |
| N7 | C24 | C25 | C26 | 173.6° | 178.3° |
| C23 | C27 | C25 | C24 | 0.8° | 4.4° |
| C23 | C27 | C25 | C21 | 175.3° | 179.1° |
| C23 | C27 | C21 | N5 | 0.9° | 6.6° |
| C23 | C27 | C25 | C26 | 173.5° | 177.6° |
| C23 | C27 | C21 | N4 | 174.1° | 171.5° |
| C27 | C23 | N7 | H21 | 179.4° | 178.6° |
| C22 | N5 | C21 | C27 | 0.6° | 3.5° |
| C22 | N5 | C21 | N4 | 174.4° | 174.6° |
| C24 | C25 | C27 | C26 | 174.3° | 178.0° |
| C24 | C25 | C27 | C21 | 176.1° | 174.7° |
| C24 | C25 | C26 | N1 | 134.0° | 85.7° |
| C24 | C25 | C26 | H19 | 105.5° | 152.2° |
| C24 | C25 | C26 | H20 | 13.4° | 32.1° |
| C25 | C24 | N7 | H21 | 178.8° | 178.5° |
| C25 | C27 | C21 | N5 | 174.2° | 174.4° |
| C25 | C27 | C21 | N4 | 10.7° | 7.5° |
| C27 | C25 | C26 | N1 | 52.5° | 96.6° |
| C27 | C25 | C26 | H19 | 68.0° | 25.4° |
| C27 | C25 | C26 | H20 | 173.1° | 145.6° |
| C27 | C25 | C24 | H22 | 178.8° | 175.9° |
| C27 | C21 | N5 | N4 | 175.0° | 178.1° |
| C21 | C27 | C25 | C26 | 1.8° | 3.3° |
| C27 | C21 | N4 | C10 | 177.3° | 162.0° |
| C27 | C21 | N4 | H15 | 2.7° | 15.2° |
| N5 | C21 | N4 | C10 | 7.4° | 19.9° |
| N5 | C21 | N4 | H15 | 172.7° | 162.9° |
| C21 | N5 | C22 | H23 | 179.9° | 178.7° |
| C25 | C26 | N1 | H19 | 120.5° | 123.1° |
| C25 | C26 | N1 | H20 | 120.5° | 118.9° |
| C25 | C26 | N1 | C1 | 63.7° | 1.3° |
| C25 | C26 | N1 | C2 | 169.5° | 111.4° |
| C25 | C26 | H19 | H20 | 118.3° | 120.0° |
| C26 | C25 | C24 | H22 | 6.4° | 2.2° |
| C21 | N4 | C10 | H15 | 180.0° | 177.1° |
| C21 | N4 | C10 | C11 | 31.3° | 64.2° |
| C21 | N4 | C10 | C9 | 147.5° | 116.9° |
| C26 | N1 | C1 | C2 | 126.4° | 112.0° |
| C26 | N1 | C2 | C3 | 171.0° | 133.2° |
| C26 | N1 | C1 | H16 | 180.0° | 52.0° |
| C26 | N1 | C1 | H17 | 60.0° | 67.9° |
| C26 | N1 | C1 | H18 | 60.0° | 172.1° |
| N1 | C26 | H19 | H20 | 118.3° | 116.7° |
| C26 | N1 | C2 | H26 | 50.5° | 13.1° |
| C26 | N1 | C2 | H27 | 68.5° | 107.9° |
| N4 | C10 | C11 | C9 | 178.8° | 178.9° |
| N4 | C10 | C11 | C12 | 173.9° | 179.2° |
| N4 | C10 | C9 | C8 | 174.4° | 179.3° |
| N4 | C10 | C9 | H9 | 5.6° | 1.1° |
| N4 | C10 | C11 | H10 | 6.1° | 0.0° |
| C1 | N1 | C2 | C3 | 63.0° | 115.0° |
| N1 | C1 | H16 | H17 | 120.0° | 119.9° |
| N1 | C1 | H16 | H18 | 120.0° | 120.0° |
| N1 | C1 | H17 | H18 | 120.0° | 119.9° |
| C1 | N1 | C26 | H19 | 175.8° | 121.8° |
| C1 | N1 | C26 | H20 | 56.9° | 120.2° |
| C1 | N1 | C2 | H26 | 176.5° | 124.9° |
| C1 | N1 | C2 | H27 | 57.4° | 4.0° |
| N1 | C2 | C3 | H26 | 120.5° | 119.3° |
| N1 | C2 | C3 | H27 | 120.5° | 117.7° |
| N1 | C2 | C3 | C4 | 162.4° | 144.4° |
| C2 | N1 | C1 | H16 | 53.6° | 60.0° |
| C2 | N1 | C1 | H17 | 66.4° | 180.0° |
| C2 | N1 | C1 | H18 | 173.6° | 60.1° |
| C2 | N1 | C26 | H19 | 49.0° | 11.7° |
| C2 | N1 | C26 | H20 | 69.9° | 129.7° |
| N1 | C2 | C3 | H24 | 76.9° | 94.4° |
| N1 | C2 | C3 | H25 | 41.6° | 24.5° |
| N1 | C2 | H26 | H27 | 118.6° | 118.7° |
| C10 | C11 | C12 | H10 | 180.0° | 179.3° |
| C10 | C11 | C12 | C13 | 2.3° | 0.2° |
| C11 | C10 | C9 | C8 | 4.5° | 0.4° |
| C11 | C10 | C9 | H9 | 175.5° | 180.0° |
| C10 | C11 | C12 | H11 | 177.7° | 179.8° |
| C11 | C10 | N4 | H15 | 148.7° | 118.7° |
| C12 | C11 | C10 | C9 | 4.9° | 0.4° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C11 | C12 | C13 | C8 | 0.7° | 0.0° |
| C11 | C12 | C13 | O3 | 177.7° | 179.8° |
| C10 | C9 | C8 | H9 | 180.0° | 179.6° |
| C10 | C9 | C8 | C13 | 1.6° | 0.2° |
| C10 | C9 | C8 | O2 | 179.2° | 179.5° |
| C9 | C10 | C11 | H10 | 175.1° | 178.9° |
| C9 | C10 | N4 | H15 | 32.5° | 60.2° |
| C12 | C13 | C8 | C9 | 1.0° | 0.0° |
| C12 | C13 | C8 | O3 | 177.4° | 179.8° |
| C12 | C13 | C8 | O2 | 178.3° | 179.7° |
| C12 | C13 | O3 | C14 | 7.5° | 0.1° |
| C13 | C12 | C11 | H10 | 177.7° | 179.1° |
| C2 | C3 | C4 | H24 | 120.8° | 120.8° |
| C2 | C3 | C4 | H25 | 120.8° | 120.0° |
| C2 | C3 | C4 | N2 | 71.4° | 80.2° |
| C2 | C3 | C4 | H1 | 48.8° | 160.0° |
| C2 | C3 | C4 | H2 | 168.4° | 40.7° |
| C2 | C3 | H24 | H25 | 117.7° | 119.4° |
| C3 | C2 | H26 | H27 | 118.6° | 122.0° |
| C9 | C8 | C13 | O2 | 179.3° | 179.8° |
| C9 | C8 | C13 | O3 | 178.4° | 179.8° |
| C9 | C8 | O2 | C7 | 2.9° | 42.8° |
| C8 | C13 | O3 | C14 | 175.3° | 179.8° |
| C13 | C8 | O2 | C7 | 176.4° | 137.5° |
| C13 | C8 | C9 | H9 | 178.5° | 179.8° |
| C8 | C13 | C12 | H11 | 179.3° | 179.9° |
| O3 | C13 | C8 | O2 | 0.9° | 0.1° |
| C13 | O3 | C14 | C15 | 97.9° | 180.0° |
| O3 | C13 | C12 | H11 | 2.3° | 0.2° |
| C13 | O3 | C14 | H13 | 22.4° | 60.0° |
| C13 | O3 | C14 | H14 | 141.9° | 60.1° |
| C8 | O2 | C7 | C6 | 61.3° | 86.4° |
| C8 | O2 | C7 | H7 | 178.7° | 154.2° |
| C8 | O2 | C7 | H8 | 58.6° | 34.2° |
| O2 | C8 | C9 | H9 | 0.8° | 0.1° |
| C3 | C4 | N2 | C5 | 105.0° | 69.5° |
| C3 | C4 | N2 | H1 | 120.2° | 119.9° |
| C3 | C4 | N2 | H2 | 120.2° | 120.6° |
| C3 | C4 | N2 | C6 | 74.8° | 110.7° |
| C3 | C4 | H1 | H2 | 119.5° | 119.7° |
| C4 | C3 | H24 | H25 | 117.6° | 119.6° |
| C4 | C3 | C2 | H26 | 41.9° | 96.3° |
| C4 | C3 | C2 | H27 | 77.1° | 26.7° |
| O3 | C14 | C15 | H13 | 120.2° | 120.0° |
| O3 | C14 | C15 | H14 | 120.2° | 119.9° |
| O3 | C14 | C15 | N3 | 177.8° | 180.0° |
| O3 | C14 | C15 | O4 | 2.4° | 0.1° |
| O3 | C14 | H13 | H14 | 119.3° | 120.0° |
| C14 | C15 | N3 | O4 | 179.7° | 179.9° |
| C14 | C15 | N3 | C16 | 167.8° | 180.0° |
| C14 | C15 | N3 | H12 | 12.2° | 0.0° |
| C15 | C14 | H13 | H14 | 119.3° | 120.0° |
| C18 | C17 | C16 | H35 | 119.4° | 118.7° |
| C18 | C17 | C16 | H36 | 119.4° | 118.7° |
| C17 | C18 | C19 | H33 | 119.4° | 118.3° |
| C17 | C18 | C19 | H34 | 119.5° | 118.5° |
| C18 | C17 | C16 | N3 | 139.1° | 95.7° |
| C18 | C17 | C16 | C20 | 17.3° | 23.6° |
| C17 | C18 | C19 | C20 | 31.5° | 38.0° |
| C18 | C17 | C16 | H28 | 98.6° | 142.9° |
| C17 | C18 | C19 | H31 | 87.6° | 156.6° |
| C17 | C18 | C19 | H32 | 150.5° | 80.8° |
| C17 | C18 | H33 | H34 | 121.6° | 123.4° |
| C18 | C17 | H35 | H36 | 121.7° | 122.7° |
| C16 | C17 | C18 | C19 | 8.4° | 38.0° |
| C17 | C16 | N3 | C15 | 114.8° | 87.9° |
| C17 | C16 | N3 | C20 | 116.0° | 117.1° |
| C17 | C16 | N3 | H28 | 121.7° | 121.5° |
| C17 | C16 | C20 | H28 | 115.6° | 119.3° |
| C17 | C16 | C20 | C19 | 36.9° | 0.0° |
| C17 | C16 | N3 | H12 | 65.2° | 92.1° |
| C17 | C16 | C20 | H29 | 82.1° | 119.3° |
| C17 | C16 | C20 | H30 | 156.1° | 119.3° |
| C16 | C17 | C18 | H33 | 127.8° | 80.4° |
| C16 | C17 | C18 | H34 | 111.1° | 156.4° |
| C16 | C17 | H35 | H36 | 121.7° | 122.5° |
| O2 | C7 | C6 | H7 | 119.9° | 119.2° |
| O2 | C7 | C6 | H8 | 120.0° | 120.1° |
| O2 | C7 | C6 | N2 | 157.8° | 167.0° |
| O2 | C7 | C6 | O1 | 20.7° | 12.6° |
| O2 | C7 | H7 | H8 | 120.2° | 119.9° |
| C5 | N2 | C6 | C7 | 6.4° | 10.5° |
| C5 | N2 | C4 | C6 | 179.8° | 179.8° |
| C5 | N2 | C6 | O1 | 175.1° | 169.8° |
| C5 | N2 | C4 | H1 | 15.2° | 50.4° |
| C5 | N2 | C4 | H2 | 134.9° | 169.9° |
| N2 | C5 | H3 | H4 | 120.0° | 120.0° |
| N2 | C5 | H3 | H5 | 120.0° | 120.0° |
| N2 | C5 | H4 | H5 | 120.0° | 120.0° |
| C18 | C19 | C20 | C16 | 42.9° | 23.6° |
| C18 | C19 | C20 | H31 | 119.1° | 118.7° |
| C18 | C19 | C20 | H32 | 119.0° | 118.8° |
| C18 | C19 | C20 | H29 | 76.2° | 95.7° |
| C18 | C19 | C20 | H30 | 162.0° | 142.9° |
| C18 | C19 | H31 | H32 | 122.7° | 122.7° |
| C19 | C18 | H33 | H34 | 121.6° | 123.2° |
| C19 | C18 | C17 | H35 | 127.8° | 80.7° |
| C19 | C18 | C17 | H36 | 111.0° | 156.6° |
| C7 | C6 | N2 | C4 | 173.4° | 169.7° |
| C7 | C6 | N2 | O1 | 178.5° | 179.6° |
| C6 | C7 | H7 | H8 | 120.2° | 120.9° |
| C4 | N2 | C6 | O1 | 5.1° | 9.9° |
| N2 | C4 | H1 | H2 | 119.5° | 120.3° |
| C4 | N2 | C5 | H3 | 180.0° | 90.0° |
| C4 | N2 | C5 | H4 | 60.0° | 150.0° |
| C4 | N2 | C5 | H5 | 60.0° | 30.0° |
| N2 | C4 | C3 | H24 | 167.9° | 40.5° |
| N2 | C4 | C3 | H25 | 49.4° | 159.8° |
| C6 | N2 | C4 | H1 | 165.0° | 129.4° |
| C6 | N2 | C4 | H2 | 45.3° | 9.9° |
| C6 | N2 | C5 | H3 | 0.2° | 90.2° |
| C6 | N2 | C5 | H4 | 119.8° | 29.8° |
| C6 | N2 | C5 | H5 | 120.2° | 149.8° |
| N2 | C6 | C7 | H7 | 82.2° | 73.8° |
| N2 | C6 | C7 | H8 | 37.9° | 46.9° |
| C15 | N3 | C16 | H12 | 180.0° | 180.0° |
| C15 | N3 | C16 | C20 | 129.2° | 155.0° |
| N3 | C15 | C14 | H13 | 57.6° | 60.0° |
| N3 | C15 | C14 | H14 | 61.9° | 60.1° |
| C15 | N3 | C16 | H28 | 6.8° | 33.6° |
| C16 | N3 | C15 | O4 | 12.4° | 0.0° |
| N3 | C16 | C20 | H28 | 122.7° | 121.4° |
| N3 | C16 | C20 | C19 | 158.6° | 119.3° |
| N3 | C16 | C20 | H29 | 39.5° | 0.0° |
| N3 | C16 | C20 | H30 | 82.3° | 121.4° |
| N3 | C16 | C17 | H35 | 19.6° | 145.6° |
| N3 | C16 | C17 | H36 | 101.6° | 23.0° |
| O4 | C15 | N3 | H12 | 167.5° | 179.9° |
| O4 | C15 | C14 | H13 | 122.6° | 120.0° |
| O4 | C15 | C14 | H14 | 117.8° | 120.0° |
| O1 | C6 | C7 | H7 | 99.3° | 106.6° |
| O1 | C6 | C7 | H8 | 140.6° | 132.8° |
| C16 | C20 | C19 | H29 | 119.1° | 119.3° |
| C16 | C20 | C19 | H30 | 119.1° | 119.3° |
| C20 | C16 | N3 | H12 | 50.8° | 25.0° |
| C16 | C20 | H29 | H30 | 122.6° | 121.4° |
| C16 | C20 | C19 | H31 | 76.2° | 142.3° |
| C16 | C20 | C19 | H32 | 161.9° | 95.2° |
| C20 | C16 | C17 | H35 | 102.1° | 95.1° |
| C20 | C16 | C17 | H36 | 136.7° | 142.3° |
| C19 | C20 | C16 | H28 | 78.7° | 119.3° |
| C19 | C20 | H29 | H30 | 122.6° | 121.5° |
| C20 | C19 | H31 | H32 | 122.8° | 122.5° |
| C20 | C19 | C18 | H33 | 150.9° | 80.4° |
| C20 | C19 | C18 | H34 | 88.0° | 156.5° |
| H1 | C4 | C3 | H24 | 72.0° | 79.2° |
| H1 | C4 | C3 | H25 | 169.6° | 40.0° |
| H2 | C4 | C3 | H24 | 47.7° | 161.5° |
| H2 | C4 | C3 | H25 | 70.8° | 79.3° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 2.3° | 0.9° |
| H12 | N3 | C16 | H28 | 173.1° | 146.4° |
| H16 | C1 | H17 | H18 | 120.0° | 120.1° |
| H21 | N7 | C24 | H22 | 1.2° | 2.0° |
| H24 | C3 | C2 | H26 | 162.7° | 24.9° |
| H24 | C3 | C2 | H27 | 43.6° | 147.9° |
| H25 | C3 | C2 | H26 | 78.8° | 143.8° |
| H25 | C3 | C2 | H27 | 162.1° | 93.2° |
| H28 | C16 | C20 | H29 | 162.2° | 121.4° |
| H28 | C16 | C20 | H30 | 40.4° | 0.0° |
| H28 | C16 | C17 | H35 | 142.0° | 24.2° |
| H28 | C16 | C17 | H36 | 20.8° | 98.4° |
| H29 | C20 | C19 | H31 | 164.8° | 23.0° |
| H29 | C20 | C19 | H32 | 42.8° | 145.5° |
| H30 | C20 | C19 | H31 | 43.0° | 98.4° |
| H30 | C20 | C19 | H32 | 79.0° | 24.1° |
| H31 | C19 | C18 | H33 | 31.8° | 38.3° |
| H31 | C19 | C18 | H34 | 152.9° | 84.9° |
| H32 | C19 | C18 | H33 | 90.1° | 160.9° |
| H32 | C19 | C18 | H34 | 31.0° | 37.7° |
| H33 | C18 | C17 | H35 | 112.8° | 160.9° |
| H33 | C18 | C17 | H36 | 8.4° | 38.2° |
| H34 | C18 | C17 | H35 | 8.3° | 37.7° |
| H34 | C18 | C17 | H36 | 129.5° | 85.0° |
