T8Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| O5 | C16 | doub | 1.21Å | 1.21Å | |
| C17 | C19 | sing | 1.53Å | 1.51Å | |
| C17 | O4 | sing | 1.45Å | 1.49Å | |
| C17 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | O4 | sing | 1.35Å | 1.34Å | |
| C16 | N5 | sing | 1.35Å | 1.35Å | |
| C21 | N5 | sing | 1.47Å | 1.47Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| N5 | C15 | sing | 1.47Å | 1.47Å | |
| C22 | C13 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N4 | sing | 1.46Å | 1.45Å | |
| N4 | C9 | sing | 1.38Å | 1.35Å | |
| N1 | C5 | doub | 1.30Å | 1.31Å | Aromatic |
| N1 | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | N | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| O1 | C1 | sing | 1.43Å | 1.42Å | |
| N | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| N | C4 | sing | 1.47Å | 1.46Å | |
| N3 | C8 | sing | 1.32Å | 1.34Å | Aromatic |
| C7 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C1 | C4 | sing | 1.54Å | 1.52Å | |
| C1 | C | sing | 1.55Å | 1.53Å | |
| C4 | O3 | sing | 1.44Å | 1.41Å | |
| C8 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C | C2 | sing | 1.54Å | 1.53Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | O2 | sing | 1.43Å | 1.42Å | |
| O3 | C2 | sing | 1.44Å | 1.45Å | |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| O1 | H2 | sing | 0.97Å | 0.95Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| N4 | H9 | sing | 0.97Å | 1.00Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.09Å | 1.10Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C17 | C19 | 111.4° | 109.5° |
| C18 | C17 | O4 | 108.3° | 109.5° |
| C18 | C17 | C20 | 111.3° | 109.5° |
| C17 | C18 | H23 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C17 | C18 | H25 | 109.4° | 109.4° |
| O5 | C16 | O4 | 126.3° | 120.0° |
| O5 | C16 | N5 | 123.2° | 120.1° |
| C19 | C17 | O4 | 110.8° | 109.5° |
| C19 | C17 | C20 | 110.8° | 109.4° |
| C17 | C19 | H26 | 109.5° | 109.5° |
| C17 | C19 | H27 | 109.5° | 109.5° |
| C17 | C19 | H28 | 109.5° | 109.4° |
| O4 | C17 | C20 | 104.0° | 109.5° |
| C17 | O4 | C16 | 121.5° | 117.0° |
| C17 | C20 | H29 | 109.5° | 109.5° |
| C17 | C20 | H30 | 109.5° | 109.5° |
| C17 | C20 | H31 | 109.4° | 109.5° |
| O4 | C16 | N5 | 110.6° | 119.9° |
| C16 | N5 | C21 | 120.1° | 120.6° |
| C16 | N5 | C15 | 120.3° | 120.7° |
| N5 | C21 | C22 | 110.9° | 108.8° |
| C21 | N5 | C15 | 113.0° | 118.7° |
| N5 | C21 | H32 | 109.1° | 109.6° |
| N5 | C21 | H33 | 109.1° | 109.6° |
| C21 | C22 | C13 | 110.6° | 109.3° |
| C22 | C21 | H32 | 109.1° | 109.6° |
| C22 | C21 | H33 | 109.1° | 109.6° |
| C21 | C22 | H34 | 109.2° | 109.5° |
| C21 | C22 | H35 | 109.2° | 109.5° |
| N5 | C15 | C14 | 111.3° | 108.8° |
| N5 | C15 | H21 | 109.0° | 109.6° |
| N5 | C15 | H22 | 109.0° | 109.8° |
| C22 | C13 | C14 | 109.5° | 109.5° |
| C22 | C13 | C12 | 111.7° | 109.4° |
| C22 | C13 | H18 | 107.8° | 109.5° |
| C13 | C22 | H34 | 109.2° | 109.5° |
| C13 | C22 | H35 | 109.2° | 109.5° |
| C15 | C14 | C13 | 112.2° | 109.3° |
| C15 | C14 | H19 | 108.8° | 109.5° |
| C15 | C14 | H20 | 108.8° | 109.5° |
| C14 | C15 | H21 | 109.0° | 109.6° |
| C14 | C15 | H22 | 109.0° | 109.6° |
| C14 | C13 | C12 | 112.2° | 109.4° |
| C14 | C13 | H18 | 107.7° | 109.5° |
| C13 | C14 | H19 | 108.8° | 109.6° |
| C13 | C14 | H20 | 108.8° | 109.5° |
| C13 | C12 | C11 | 114.5° | 109.4° |
| C13 | C12 | H16 | 108.2° | 109.5° |
| C13 | C12 | H17 | 108.2° | 109.5° |
| C12 | C13 | H18 | 107.7° | 109.5° |
| C12 | C11 | C10 | 111.5° | 109.4° |
| C12 | C11 | H14 | 108.9° | 109.5° |
| C12 | C11 | H15 | 108.9° | 109.5° |
| C11 | C12 | H16 | 108.2° | 109.5° |
| C11 | C12 | H17 | 108.2° | 109.5° |
| C11 | C10 | N4 | 111.7° | 109.4° |
| C11 | C10 | H12 | 108.9° | 109.5° |
| C11 | C10 | H13 | 108.9° | 109.5° |
| C10 | C11 | H14 | 109.0° | 109.5° |
| C10 | C11 | H15 | 109.0° | 109.5° |
| C10 | N4 | C9 | 125.7° | 120.0° |
| C10 | N4 | H9 | 105.3° | 120.0° |
| N4 | C10 | H12 | 108.9° | 109.5° |
| N4 | C10 | H13 | 108.9° | 109.4° |
| N4 | C9 | C6 | 124.0° | 120.8° |
| N4 | C9 | N3 | 117.6° | 120.8° |
| C9 | N4 | H9 | 105.3° | 120.0° |
| C5 | N1 | C6 | 103.7° | 109.4° |
| N1 | C5 | N | 114.1° | 109.9° |
| N1 | C5 | H4 | 122.9° | 125.0° |
| N1 | C6 | C9 | 133.1° | 134.7° |
| N1 | C6 | C7 | 110.7° | 107.2° |
| C5 | N | C7 | 105.8° | 107.5° |
| C5 | N | C4 | 127.4° | 126.2° |
| N | C5 | H4 | 123.0° | 125.0° |
| C6 | C9 | N3 | 118.3° | 118.5° |
| C9 | C6 | C7 | 116.2° | 118.2° |
| C9 | N3 | C8 | 118.5° | 121.2° |
| C6 | C7 | N | 105.7° | 106.0° |
| C6 | C7 | N2 | 126.8° | 119.1° |
| O1 | C1 | C4 | 110.4° | 110.5° |
| O1 | C1 | C | 111.9° | 110.5° |
| C1 | O1 | H2 | 109.5° | 114.0° |
| O1 | C1 | H3 | 112.1° | 110.5° |
| C7 | N | C4 | 126.7° | 126.3° |
| N | C7 | N2 | 127.6° | 134.9° |
| N | C4 | C1 | 114.9° | 110.4° |
| N | C4 | O3 | 108.3° | 110.3° |
| N | C4 | H5 | 109.4° | 110.4° |
| N3 | C8 | N2 | 128.9° | 122.5° |
| N3 | C8 | H1 | 115.5° | 118.8° |
| C7 | N2 | C8 | 111.4° | 120.7° |
| C4 | C1 | C | 100.9° | 104.0° |
| C1 | C4 | O3 | 105.6° | 104.8° |
| C4 | C1 | H3 | 110.6° | 110.5° |
| C1 | C4 | H5 | 108.5° | 110.4° |
| C1 | C | C2 | 103.1° | 104.1° |
| C1 | C | O | 111.5° | 110.5° |
| C | C1 | H3 | 110.4° | 110.6° |
| C1 | C | H10 | 110.0° | 110.5° |
| C4 | O3 | C2 | 109.4° | 105.2° |
| O3 | C4 | H5 | 110.0° | 110.4° |
| N2 | C8 | H1 | 115.5° | 118.7° |
| C2 | C | O | 110.3° | 110.5° |
| C | C2 | C3 | 115.7° | 110.4° |
| C | C2 | O3 | 106.5° | 104.8° |
| C | C2 | H8 | 107.9° | 110.4° |
| C2 | C | H10 | 110.0° | 110.5° |
| O | C | H10 | 111.6° | 110.6° |
| C | O | H11 | 109.5° | 114.0° |
| C2 | C3 | O2 | 111.5° | 109.5° |
| C3 | C2 | O3 | 109.5° | 110.4° |
| C2 | C3 | H6 | 109.0° | 109.5° |
| C2 | C3 | H7 | 109.0° | 109.4° |
| C3 | C2 | H8 | 108.1° | 110.3° |
| O2 | C3 | H6 | 109.0° | 109.5° |
| O2 | C3 | H7 | 109.0° | 109.5° |
| C3 | O2 | H36 | 109.5° | 114.0° |
| O3 | C2 | H8 | 109.0° | 110.4° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.6° |
| H23 | C18 | H24 | 109.5° | 109.5° |
| H23 | C18 | H25 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H26 | C19 | H27 | 109.5° | 109.5° |
| H26 | C19 | H28 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C20 | H30 | 109.4° | 109.5° |
| H29 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H31 | 109.5° | 109.4° |
| H32 | C21 | H33 | 109.5° | 109.7° |
| H34 | C22 | H35 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C17 | C19 | O4 | 120.6° | 120.0° |
| C18 | C17 | C19 | C20 | 124.4° | 120.0° |
| C18 | C17 | O4 | C20 | 118.5° | 120.0° |
| C18 | C17 | O4 | C16 | 64.5° | 60.1° |
| C17 | C18 | H23 | H24 | 120.0° | 120.1° |
| C17 | C18 | H23 | H25 | 120.0° | 119.9° |
| C17 | C18 | H24 | H25 | 120.0° | 120.0° |
| C18 | C17 | C19 | H26 | 180.0° | 180.0° |
| C18 | C17 | C19 | H27 | 60.0° | 60.0° |
| C18 | C17 | C19 | H28 | 60.0° | 60.0° |
| C18 | C17 | C20 | H29 | 180.0° | 180.0° |
| C18 | C17 | C20 | H30 | 60.0° | 60.0° |
| C18 | C17 | C20 | H31 | 60.0° | 60.0° |
| O5 | C16 | O4 | C17 | 2.4° | 0.0° |
| O5 | C16 | O4 | N5 | 179.5° | 180.0° |
| O5 | C16 | N5 | C21 | 0.6° | 0.1° |
| O5 | C16 | N5 | C15 | 149.9° | 180.0° |
| C19 | C17 | O4 | C20 | 119.1° | 120.0° |
| C19 | C17 | O4 | C16 | 58.0° | 60.0° |
| C19 | C17 | C18 | H23 | 180.0° | 59.9° |
| C19 | C17 | C18 | H24 | 60.0° | 180.0° |
| C19 | C17 | C18 | H25 | 60.0° | 60.0° |
| C17 | C19 | H26 | H27 | 120.0° | 120.0° |
| C17 | C19 | H26 | H28 | 120.0° | 120.0° |
| C17 | C19 | H27 | H28 | 120.0° | 120.0° |
| C19 | C17 | C20 | H29 | 55.5° | 60.0° |
| C19 | C17 | C20 | H30 | 175.5° | 180.0° |
| C19 | C17 | C20 | H31 | 64.5° | 60.0° |
| C17 | O4 | C16 | N5 | 177.0° | 180.0° |
| O4 | C17 | C18 | H23 | 57.9° | 180.0° |
| O4 | C17 | C18 | H24 | 62.1° | 59.9° |
| O4 | C17 | C18 | H25 | 177.9° | 60.1° |
| O4 | C17 | C19 | H26 | 59.4° | 60.0° |
| O4 | C17 | C19 | H27 | 179.4° | 180.0° |
| O4 | C17 | C19 | H28 | 60.6° | 60.0° |
| O4 | C17 | C20 | H29 | 63.6° | 60.0° |
| O4 | C17 | C20 | H30 | 56.4° | 60.0° |
| O4 | C17 | C20 | H31 | 176.4° | 180.0° |
| C20 | C17 | O4 | C16 | 177.1° | 180.0° |
| C20 | C17 | C18 | H23 | 55.8° | 60.0° |
| C20 | C17 | C18 | H24 | 175.9° | 60.1° |
| C20 | C17 | C18 | H25 | 64.2° | 180.0° |
| C20 | C17 | C19 | H26 | 55.6° | 60.0° |
| C20 | C17 | C19 | H27 | 64.4° | 60.0° |
| C20 | C17 | C19 | H28 | 175.5° | 180.0° |
| C17 | C20 | H29 | H30 | 120.0° | 120.0° |
| C17 | C20 | H29 | H31 | 120.0° | 120.0° |
| C17 | C20 | H30 | H31 | 120.0° | 120.0° |
| O4 | C16 | N5 | C21 | 178.9° | 180.0° |
| O4 | C16 | N5 | C15 | 29.6° | 0.0° |
| C16 | N5 | C21 | C15 | 151.5° | 179.9° |
| C16 | N5 | C21 | C22 | 114.0° | 126.4° |
| C16 | N5 | C15 | C14 | 175.5° | 126.4° |
| C16 | N5 | C15 | H21 | 64.2° | 6.7° |
| C16 | N5 | C15 | H22 | 55.2° | 113.7° |
| C16 | N5 | C21 | H32 | 6.2° | 113.8° |
| C16 | N5 | C21 | H33 | 125.8° | 6.6° |
| N5 | C21 | C22 | H32 | 120.2° | 119.8° |
| N5 | C21 | C22 | H33 | 120.2° | 119.8° |
| N5 | C21 | C22 | C13 | 66.9° | 54.7° |
| C21 | N5 | C15 | C14 | 24.1° | 53.7° |
| C21 | N5 | C15 | H21 | 144.4° | 173.4° |
| C21 | N5 | C15 | H22 | 96.2° | 66.2° |
| N5 | C21 | H32 | H33 | 119.4° | 120.4° |
| N5 | C21 | C22 | H34 | 53.3° | 174.6° |
| N5 | C21 | C22 | H35 | 173.0° | 65.3° |
| C22 | C21 | N5 | C15 | 37.5° | 53.6° |
| C21 | C22 | C13 | H34 | 120.2° | 119.9° |
| C21 | C22 | C13 | H35 | 120.2° | 120.0° |
| C21 | C22 | C13 | C14 | 27.6° | 61.4° |
| C21 | C22 | C13 | C12 | 152.5° | 178.6° |
| C21 | C22 | C13 | H18 | 89.3° | 58.6° |
| C22 | C21 | H32 | H33 | 119.3° | 120.3° |
| C21 | C22 | H34 | H35 | 119.5° | 120.1° |
| N5 | C15 | C14 | H21 | 120.3° | 119.7° |
| N5 | C15 | C14 | H22 | 120.2° | 120.0° |
| N5 | C15 | C14 | C13 | 62.9° | 54.7° |
| N5 | C15 | C14 | H19 | 57.5° | 65.3° |
| N5 | C15 | C14 | H20 | 176.7° | 174.6° |
| N5 | C15 | H21 | H22 | 119.1° | 120.5° |
| C15 | N5 | C21 | H32 | 157.6° | 66.1° |
| C15 | N5 | C21 | H33 | 82.7° | 173.4° |
| C22 | C13 | C14 | C15 | 32.9° | 61.5° |
| C22 | C13 | C14 | C12 | 124.7° | 119.9° |
| C22 | C13 | C14 | H18 | 117.0° | 120.1° |
| C22 | C13 | C12 | H18 | 118.2° | 120.0° |
| C22 | C13 | C12 | C11 | 157.1° | 65.0° |
| C22 | C13 | C12 | H16 | 82.2° | 55.0° |
| C22 | C13 | C12 | H17 | 36.4° | 175.0° |
| C22 | C13 | C14 | H19 | 87.5° | 58.5° |
| C22 | C13 | C14 | H20 | 153.4° | 178.6° |
| C13 | C22 | C21 | H32 | 172.9° | 65.1° |
| C13 | C22 | C21 | H33 | 53.3° | 174.4° |
| C13 | C22 | H34 | H35 | 119.5° | 120.1° |
| C15 | C14 | C13 | H19 | 120.4° | 120.0° |
| C15 | C14 | C13 | H20 | 120.4° | 119.9° |
| C15 | C14 | C13 | C12 | 91.7° | 178.6° |
| C15 | C14 | C13 | H18 | 149.9° | 58.6° |
| C15 | C14 | H19 | H20 | 118.7° | 120.1° |
| C14 | C15 | H21 | H22 | 119.2° | 120.3° |
| C14 | C13 | C12 | H18 | 118.4° | 120.0° |
| C14 | C13 | C12 | C11 | 79.4° | 175.0° |
| C14 | C13 | C12 | H16 | 41.3° | 65.0° |
| C14 | C13 | C12 | H17 | 159.8° | 55.0° |
| C13 | C14 | H19 | H20 | 118.7° | 120.1° |
| C13 | C14 | C15 | H21 | 176.8° | 174.4° |
| C13 | C14 | C15 | H22 | 57.3° | 65.3° |
| C14 | C13 | C22 | H34 | 92.6° | 178.7° |
| C14 | C13 | C22 | H35 | 147.8° | 58.5° |
| C13 | C12 | C11 | H16 | 120.7° | 120.0° |
| C13 | C12 | C11 | H17 | 120.7° | 119.9° |
| C13 | C12 | C11 | C10 | 155.4° | 180.0° |
| C13 | C12 | C11 | H14 | 35.1° | 60.0° |
| C13 | C12 | C11 | H15 | 84.3° | 60.0° |
| C13 | C12 | H16 | H17 | 117.7° | 120.0° |
| C12 | C13 | C14 | H19 | 147.9° | 61.4° |
| C12 | C13 | C14 | H20 | 28.7° | 58.7° |
| C12 | C13 | C22 | H34 | 32.4° | 58.7° |
| C12 | C13 | C22 | H35 | 87.3° | 61.4° |
| C12 | C11 | C10 | H14 | 120.3° | 120.0° |
| C12 | C11 | C10 | H15 | 120.3° | 120.0° |
| C12 | C11 | C10 | N4 | 171.4° | 180.0° |
| C12 | C11 | C10 | H12 | 51.1° | 60.0° |
| C12 | C11 | C10 | H13 | 68.2° | 60.1° |
| C12 | C11 | H14 | H15 | 119.0° | 120.0° |
| C11 | C12 | H16 | H17 | 117.7° | 120.0° |
| C11 | C12 | C13 | H18 | 38.9° | 55.0° |
| C11 | C10 | N4 | H12 | 120.3° | 120.0° |
| C11 | C10 | N4 | H13 | 120.3° | 119.9° |
| C11 | C10 | N4 | C9 | 88.1° | 180.0° |
| C11 | C10 | N4 | H9 | 149.7° | 0.1° |
| C11 | C10 | H12 | H13 | 119.0° | 120.0° |
| C10 | C11 | H14 | H15 | 119.1° | 120.0° |
| C10 | C11 | C12 | H16 | 83.9° | 60.0° |
| C10 | C11 | C12 | H17 | 34.7° | 60.1° |
| C10 | N4 | C9 | H9 | 122.2° | 179.9° |
| C10 | N4 | C9 | C6 | 1.4° | 180.0° |
| C10 | N4 | C9 | N3 | 174.8° | 0.1° |
| N4 | C10 | H12 | H13 | 119.0° | 120.0° |
| N4 | C10 | C11 | H14 | 68.3° | 60.0° |
| N4 | C10 | C11 | H15 | 51.1° | 60.0° |
| N4 | C9 | C6 | N1 | 5.1° | 0.1° |
| N4 | C9 | C6 | N3 | 176.2° | 179.9° |
| N4 | C9 | C6 | C7 | 174.8° | 180.0° |
| N4 | C9 | N3 | C8 | 175.7° | 180.0° |
| C9 | N4 | C10 | H12 | 32.2° | 60.0° |
| C9 | N4 | C10 | H13 | 151.6° | 60.1° |
| N1 | C5 | N | H4 | 180.0° | 180.0° |
| C5 | N1 | C6 | C9 | 179.4° | 180.0° |
| C5 | N1 | C6 | C7 | 0.5° | 0.0° |
| N1 | C5 | N | C7 | 0.9° | 0.1° |
| N1 | C5 | N | C4 | 176.0° | 180.0° |
| C6 | N1 | C5 | N | 0.2° | 0.0° |
| N1 | C6 | C9 | C7 | 179.9° | 179.9° |
| N1 | C6 | C9 | N3 | 178.8° | 180.0° |
| N1 | C6 | C7 | N | 1.0° | 0.1° |
| N1 | C6 | C7 | N2 | 178.9° | 180.0° |
| C6 | N1 | C5 | H4 | 179.8° | 180.0° |
| C5 | N | C7 | C6 | 1.1° | 0.1° |
| C5 | N | C7 | C4 | 176.9° | 179.9° |
| C5 | N | C7 | N2 | 178.9° | 180.0° |
| C5 | N | C4 | C1 | 45.9° | 95.0° |
| C5 | N | C4 | O3 | 71.9° | 20.4° |
| C5 | N | C4 | H5 | 168.2° | 142.7° |
| C9 | C6 | C7 | N | 178.9° | 180.0° |
| C6 | C9 | N3 | C8 | 0.7° | 0.0° |
| C9 | C6 | C7 | N2 | 1.1° | 0.1° |
| C6 | C9 | N4 | H9 | 123.6° | 0.1° |
| N3 | C9 | C6 | C7 | 1.4° | 0.0° |
| C9 | N3 | C8 | N2 | 0.3° | 0.1° |
| C9 | N3 | C8 | H1 | 179.7° | 179.9° |
| N3 | C9 | N4 | H9 | 52.6° | 180.0° |
| C6 | C7 | N | N2 | 179.9° | 179.9° |
| C6 | C7 | N | C4 | 175.8° | 180.0° |
| C6 | C7 | N2 | C8 | 0.2° | 0.1° |
| O1 | C1 | C4 | N | 84.7° | 98.5° |
| O1 | C1 | C4 | C | 118.5° | 118.7° |
| O1 | C1 | C4 | H3 | 124.7° | 122.6° |
| O1 | C1 | C | H3 | 125.6° | 122.7° |
| O1 | C1 | C4 | O3 | 156.0° | 142.7° |
| O1 | C1 | C | C2 | 151.1° | 118.7° |
| O1 | C1 | C | O | 32.8° | 0.0° |
| O1 | C1 | C4 | H5 | 38.1° | 23.8° |
| O1 | C1 | C | H10 | 91.6° | 122.7° |
| C7 | N | C4 | C1 | 137.9° | 84.9° |
| C7 | N | C4 | O3 | 104.3° | 159.7° |
| N | C7 | N2 | C8 | 179.9° | 180.0° |
| C7 | N | C5 | H4 | 179.1° | 180.0° |
| C7 | N | C4 | H5 | 15.6° | 37.4° |
| C4 | N | C7 | N2 | 4.2° | 0.1° |
| N | C4 | C1 | O3 | 119.3° | 118.8° |
| N | C4 | C1 | H5 | 122.7° | 122.3° |
| N | C4 | C1 | C | 156.9° | 142.8° |
| N | C4 | O3 | H5 | 119.5° | 122.3° |
| N | C4 | O3 | C2 | 150.2° | 159.4° |
| N | C4 | C1 | H3 | 40.0° | 24.1° |
| C4 | N | C5 | H4 | 4.0° | 0.0° |
| N3 | C8 | N2 | C7 | 0.6° | 0.1° |
| N3 | C8 | N2 | H1 | 180.0° | 180.0° |
| C7 | N2 | C8 | H1 | 179.4° | 179.9° |
| C4 | C1 | C | H3 | 117.0° | 118.7° |
| C1 | C4 | O3 | H5 | 116.9° | 118.9° |
| C4 | C1 | C | C2 | 33.7° | 0.0° |
| C4 | C1 | C | O | 84.6° | 118.7° |
| C1 | C4 | O3 | C2 | 26.7° | 40.5° |
| C4 | C1 | O1 | H2 | 180.0° | 180.0° |
| C4 | C1 | C | H10 | 151.0° | 118.7° |
| C | C1 | C4 | O3 | 37.6° | 24.0° |
| C1 | C | C2 | O | 119.2° | 118.6° |
| C1 | C | C2 | H10 | 117.3° | 118.6° |
| C1 | C | O | H10 | 123.5° | 122.6° |
| C1 | C | C2 | C3 | 102.5° | 142.8° |
| C1 | C | C2 | O3 | 19.5° | 24.0° |
| C | C1 | O1 | H2 | 68.5° | 65.4° |
| C | C1 | C4 | H5 | 80.4° | 94.9° |
| C1 | C | C2 | H8 | 136.3° | 94.9° |
| C1 | C | O | H11 | 180.0° | 180.0° |
| C4 | O3 | C2 | C | 4.2° | 40.5° |
| C4 | O3 | C2 | C3 | 130.0° | 159.4° |
| O3 | C4 | C1 | H3 | 79.3° | 94.8° |
| C4 | O3 | C2 | H8 | 111.9° | 78.4° |
| C2 | C | O | H10 | 122.6° | 122.7° |
| C | C2 | C3 | O3 | 120.3° | 115.4° |
| C | C2 | C3 | H8 | 121.1° | 122.3° |
| C | C2 | C3 | O2 | 101.8° | 178.1° |
| C | C2 | O3 | H8 | 116.2° | 119.0° |
| C2 | C | C1 | H3 | 83.2° | 118.7° |
| C | C2 | C3 | H6 | 18.5° | 58.2° |
| C | C2 | C3 | H7 | 137.9° | 61.9° |
| C2 | C | O | H11 | 66.1° | 65.4° |
| O | C | C2 | C3 | 138.4° | 98.5° |
| O | C | C2 | O3 | 99.7° | 142.6° |
| O | C | C1 | H3 | 158.4° | 122.7° |
| O | C | C2 | H8 | 17.2° | 23.7° |
| C2 | C3 | O2 | H6 | 120.3° | 120.0° |
| C2 | C3 | O2 | H7 | 120.3° | 120.0° |
| C3 | C2 | O3 | H8 | 118.0° | 122.2° |
| C2 | C3 | H6 | H7 | 119.1° | 120.0° |
| C3 | C2 | C | H10 | 14.8° | 24.2° |
| C2 | C3 | O2 | H36 | 180.0° | 180.0° |
| O2 | C3 | C2 | O3 | 137.9° | 66.4° |
| O2 | C3 | H6 | H7 | 119.1° | 120.0° |
| O2 | C3 | C2 | H8 | 19.3° | 55.8° |
| C2 | O3 | C4 | H5 | 90.3° | 78.4° |
| O3 | C2 | C3 | H6 | 101.8° | 173.6° |
| O3 | C2 | C3 | H7 | 17.6° | 53.5° |
| O3 | C2 | C | H10 | 136.7° | 94.6° |
| H2 | O1 | C1 | H3 | 56.2° | 57.4° |
| H3 | C1 | C4 | H5 | 162.7° | 146.3° |
| H3 | C1 | C | H10 | 34.1° | 0.0° |
| H6 | C3 | C2 | H8 | 139.6° | 64.1° |
| H6 | C3 | O2 | H36 | 59.7° | 60.1° |
| H7 | C3 | C2 | H8 | 101.0° | 175.8° |
| H7 | C3 | O2 | H36 | 59.7° | 60.0° |
| H8 | C2 | C | H10 | 106.4° | 146.4° |
| H9 | N4 | C10 | H12 | 90.0° | 119.9° |
| H9 | N4 | C10 | H13 | 29.4° | 120.0° |
| H10 | C | O | H11 | 56.6° | 57.3° |
| H12 | C10 | C11 | H14 | 171.4° | 180.0° |
| H12 | C10 | C11 | H15 | 69.2° | 60.0° |
| H13 | C10 | C11 | H14 | 52.0° | 60.0° |
| H13 | C10 | C11 | H15 | 171.5° | 180.0° |
| H14 | C11 | C12 | H16 | 155.8° | 180.0° |
| H14 | C11 | C12 | H17 | 85.6° | 60.0° |
| H15 | C11 | C12 | H16 | 36.4° | 60.0° |
| H15 | C11 | C12 | H17 | 155.0° | 180.0° |
| H16 | C12 | C13 | H18 | 159.7° | 175.0° |
| H17 | C12 | C13 | H18 | 81.8° | 65.0° |
| H18 | C13 | C14 | H19 | 29.5° | 178.6° |
| H18 | C13 | C14 | H20 | 89.7° | 61.3° |
| H18 | C13 | C22 | H34 | 150.5° | 61.2° |
| H18 | C13 | C22 | H35 | 30.8° | 178.6° |
| H19 | C14 | C15 | H21 | 62.8° | 54.4° |
| H19 | C14 | C15 | H22 | 177.7° | 174.7° |
| H20 | C14 | C15 | H21 | 56.4° | 65.7° |
| H20 | C14 | C15 | H22 | 63.1° | 54.6° |
| H23 | C18 | H24 | H25 | 120.0° | 120.0° |
| H26 | C19 | H27 | H28 | 120.0° | 120.0° |
| H29 | C20 | H30 | H31 | 120.0° | 120.0° |
| H32 | C21 | C22 | H34 | 66.9° | 54.8° |
| H32 | C21 | C22 | H35 | 52.8° | 174.9° |
| H33 | C21 | C22 | H34 | 173.5° | 65.6° |
| H33 | C21 | C22 | H35 | 66.8° | 54.5° |
