QCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C22 | sing | 1.43Å | 1.43Å | |
| O1 | C23 | sing | 1.43Å | 1.44Å | |
| C22 | C21 | sing | 1.53Å | 1.51Å | |
| C23 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C19 | N6 | sing | 1.47Å | 1.48Å | |
| N6 | C18 | sing | 1.47Å | 1.46Å | |
| C18 | C15 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| O | C8 | sing | 1.43Å | 1.42Å | |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | O2 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C5 | N1 | sing | 1.46Å | 1.46Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| N1 | C1 | sing | 1.38Å | 1.35Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| N2 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | N3 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.43Å | Aromatic |
| C1 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| N3 | C | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C3 | C | sing | 1.41Å | 1.45Å | Aromatic |
| C3 | N4 | doub | 1.34Å | 1.35Å | Aromatic |
| C4 | N | sing | 1.39Å | 1.33Å | |
| C4 | N4 | sing | 1.32Å | 1.35Å | Aromatic |
| C7 | C10 | sing | 1.53Å | 1.51Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| O | H16 | sing | 0.97Å | 0.95Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| N6 | H24 | sing | 1.01Å | 1.00Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | O1 | C23 | 110.4° | 114.1° |
| O1 | C22 | C21 | 111.3° | 109.4° |
| O1 | C22 | H31 | 109.0° | 109.4° |
| O1 | C22 | H30 | 109.0° | 109.4° |
| O1 | C23 | C20 | 111.4° | 109.4° |
| O1 | C23 | H32 | 109.0° | 109.5° |
| O1 | C23 | H33 | 109.0° | 109.4° |
| C22 | C21 | C19 | 110.2° | 109.2° |
| C22 | C21 | H29 | 109.3° | 109.5° |
| C22 | C21 | H28 | 109.3° | 109.6° |
| C21 | C22 | H31 | 109.0° | 109.5° |
| C21 | C22 | H30 | 109.0° | 109.5° |
| C23 | C20 | C19 | 110.3° | 109.2° |
| C20 | C23 | H32 | 109.0° | 109.5° |
| C20 | C23 | H33 | 109.0° | 109.5° |
| C23 | C20 | H27 | 109.3° | 109.5° |
| C23 | C20 | H26 | 109.3° | 109.5° |
| C21 | C19 | C20 | 110.8° | 109.1° |
| C21 | C19 | N6 | 113.5° | 109.6° |
| C21 | C19 | H25 | 107.9° | 109.6° |
| C19 | C21 | H29 | 109.3° | 109.5° |
| C19 | C21 | H28 | 109.3° | 109.5° |
| C20 | C19 | N6 | 108.1° | 109.5° |
| C20 | C19 | H25 | 107.9° | 109.6° |
| C19 | C20 | H27 | 109.2° | 109.5° |
| C19 | C20 | H26 | 109.2° | 109.5° |
| C19 | N6 | C18 | 113.4° | 111.0° |
| C19 | N6 | H24 | 108.5° | 111.0° |
| N6 | C19 | H25 | 108.5° | 109.5° |
| N6 | C18 | C15 | 111.8° | 109.5° |
| N6 | C18 | H23 | 108.9° | 109.5° |
| N6 | C18 | H22 | 108.9° | 109.5° |
| C18 | N6 | H24 | 108.5° | 111.0° |
| C18 | C15 | C14 | 120.1° | 120.0° |
| C18 | C15 | C16 | 120.9° | 120.0° |
| C15 | C18 | H23 | 108.9° | 109.5° |
| C15 | C18 | H22 | 108.9° | 109.4° |
| C14 | C15 | C16 | 118.4° | 120.0° |
| C15 | C14 | C13 | 120.8° | 120.0° |
| C15 | C14 | H19 | 119.6° | 120.0° |
| C15 | C16 | C17 | 121.0° | 120.1° |
| C15 | C16 | H20 | 119.5° | 119.9° |
| O | C8 | C9 | 111.0° | 109.4° |
| O | C8 | H10 | 109.1° | 109.5° |
| O | C8 | H9 | 109.1° | 109.5° |
| C8 | O | H16 | 109.5° | 114.0° |
| C14 | C13 | O2 | 124.3° | 120.1° |
| C14 | C13 | C12 | 120.7° | 119.9° |
| C13 | C14 | H19 | 119.6° | 120.0° |
| C16 | C17 | C12 | 121.1° | 120.1° |
| C16 | C17 | H21 | 119.5° | 119.9° |
| C17 | C16 | H20 | 119.5° | 120.0° |
| C24 | O2 | C13 | 118.1° | 117.0° |
| O2 | C24 | H36 | 109.5° | 109.5° |
| O2 | C24 | H35 | 109.4° | 109.5° |
| O2 | C24 | H34 | 109.5° | 109.5° |
| C8 | C9 | C5 | 114.2° | 109.4° |
| C9 | C8 | H10 | 109.1° | 109.5° |
| C9 | C8 | H9 | 109.1° | 109.5° |
| C8 | C9 | H12 | 108.3° | 109.5° |
| C8 | C9 | H11 | 108.3° | 109.5° |
| O2 | C13 | C12 | 115.0° | 120.0° |
| C13 | C12 | C17 | 117.8° | 119.9° |
| C13 | C12 | C11 | 121.5° | 120.1° |
| C17 | C12 | C11 | 120.7° | 120.0° |
| C12 | C17 | H21 | 119.5° | 120.0° |
| C12 | C11 | N2 | 113.5° | 109.4° |
| C12 | C11 | H18 | 108.5° | 109.4° |
| C12 | C11 | H17 | 108.5° | 109.5° |
| C9 | C5 | N1 | 110.6° | 109.5° |
| C9 | C5 | C6 | 105.3° | 109.5° |
| C5 | C9 | H12 | 108.3° | 109.4° |
| C5 | C9 | H11 | 108.3° | 109.4° |
| C9 | C5 | H4 | 109.8° | 109.5° |
| C11 | N2 | C2 | 129.1° | 126.0° |
| C11 | N2 | N3 | 119.6° | 126.0° |
| N2 | C11 | H18 | 108.4° | 109.5° |
| N2 | C11 | H17 | 108.4° | 109.5° |
| N1 | C5 | C6 | 110.5° | 109.5° |
| C5 | N1 | C1 | 129.8° | 120.0° |
| C5 | N1 | H2 | 104.2° | 120.0° |
| N1 | C5 | H4 | 110.8° | 109.5° |
| C5 | C6 | C7 | 114.5° | 109.5° |
| C6 | C5 | H4 | 109.8° | 109.5° |
| C5 | C6 | H6 | 108.2° | 109.5° |
| C5 | C6 | H5 | 108.2° | 109.5° |
| N1 | C1 | C2 | 124.1° | 120.7° |
| N1 | C1 | N5 | 113.4° | 120.6° |
| C1 | N1 | H2 | 104.2° | 120.0° |
| C6 | C7 | C10 | 112.1° | 109.5° |
| C6 | C7 | H7 | 108.8° | 109.5° |
| C6 | C7 | H8 | 108.8° | 109.4° |
| C7 | C6 | H6 | 108.2° | 109.4° |
| C7 | C6 | H5 | 108.2° | 109.5° |
| C2 | N2 | N3 | 111.3° | 107.9° |
| N2 | C2 | C1 | 138.5° | 134.7° |
| N2 | C2 | C3 | 107.4° | 106.8° |
| N2 | N3 | C | 106.2° | 109.6° |
| C2 | C1 | N5 | 122.5° | 118.7° |
| C1 | C2 | C3 | 114.1° | 118.5° |
| C1 | N5 | C4 | 117.5° | 121.1° |
| C2 | C3 | C | 103.0° | 106.9° |
| C2 | C3 | N4 | 124.3° | 118.8° |
| N3 | C | C3 | 112.1° | 108.8° |
| N3 | C | H3 | 124.0° | 125.6° |
| N5 | C4 | N | 117.0° | 118.8° |
| N5 | C4 | N4 | 125.5° | 122.4° |
| C | C3 | N4 | 132.7° | 134.3° |
| C3 | C | H3 | 124.0° | 125.6° |
| C3 | N4 | C4 | 116.0° | 120.5° |
| N | C4 | N4 | 117.0° | 118.8° |
| C4 | N | H | 109.5° | 120.0° |
| C4 | N | H1 | 109.4° | 120.0° |
| C10 | C7 | H7 | 108.8° | 109.5° |
| C10 | C7 | H8 | 108.8° | 109.5° |
| C7 | C10 | H14 | 109.5° | 109.5° |
| C7 | C10 | H13 | 109.4° | 109.4° |
| C7 | C10 | H15 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.4° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H12 | C9 | H11 | 109.5° | 109.5° |
| H6 | C6 | H5 | 109.5° | 109.5° |
| H14 | C10 | H13 | 109.5° | 109.4° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H13 | C10 | H15 | 109.5° | 109.5° |
| H | N | H1 | 109.5° | 120.0° |
| H18 | C11 | H17 | 109.5° | 109.5° |
| H36 | C24 | H35 | 109.5° | 109.5° |
| H36 | C24 | H34 | 109.4° | 109.4° |
| H35 | C24 | H34 | 109.5° | 109.5° |
| H23 | C18 | H22 | 109.4° | 109.4° |
| H29 | C21 | H28 | 109.4° | 109.5° |
| H31 | C22 | H30 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.4° | 109.6° |
| H27 | C20 | H26 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C22 | C21 | H31 | 120.3° | 120.0° |
| O1 | C22 | C21 | H30 | 120.3° | 120.0° |
| C22 | O1 | C23 | C20 | 61.7° | 61.2° |
| O1 | C22 | C21 | C19 | 57.2° | 57.6° |
| O1 | C22 | C21 | H29 | 62.9° | 177.5° |
| O1 | C22 | C21 | H28 | 177.3° | 62.3° |
| O1 | C22 | H31 | H30 | 119.2° | 119.9° |
| C22 | O1 | C23 | H32 | 58.6° | 58.8° |
| C22 | O1 | C23 | H33 | 178.0° | 178.9° |
| C23 | O1 | C22 | C21 | 62.3° | 61.2° |
| O1 | C23 | C20 | H32 | 120.3° | 120.0° |
| O1 | C23 | C20 | H33 | 120.3° | 119.9° |
| O1 | C23 | C20 | C19 | 56.0° | 57.7° |
| C23 | O1 | C22 | H31 | 177.4° | 178.8° |
| C23 | O1 | C22 | H30 | 57.9° | 58.8° |
| O1 | C23 | H32 | H33 | 119.1° | 120.0° |
| O1 | C23 | C20 | H27 | 176.1° | 62.3° |
| O1 | C23 | C20 | H26 | 64.1° | 177.5° |
| C22 | C21 | C19 | H29 | 120.1° | 119.9° |
| C22 | C21 | C19 | H28 | 120.1° | 120.0° |
| C22 | C21 | C19 | C20 | 51.5° | 57.0° |
| C22 | C21 | C19 | N6 | 173.3° | 176.8° |
| C22 | C21 | C19 | H25 | 66.5° | 63.0° |
| C22 | C21 | H29 | H28 | 119.7° | 120.2° |
| C21 | C22 | H31 | H30 | 119.2° | 120.1° |
| C23 | C20 | C19 | C21 | 50.8° | 57.0° |
| C23 | C20 | C19 | H27 | 120.1° | 119.9° |
| C23 | C20 | C19 | H26 | 120.1° | 119.9° |
| C23 | C20 | C19 | N6 | 175.7° | 176.9° |
| C23 | C20 | C19 | H25 | 67.1° | 63.0° |
| C20 | C23 | H32 | H33 | 119.1° | 120.0° |
| C23 | C20 | H27 | H26 | 119.6° | 120.1° |
| C21 | C19 | C20 | N6 | 124.9° | 119.9° |
| C21 | C19 | C20 | H25 | 117.9° | 120.0° |
| C21 | C19 | N6 | H25 | 119.9° | 120.2° |
| C21 | C19 | N6 | C18 | 70.4° | 155.2° |
| C21 | C19 | N6 | H24 | 169.0° | 80.8° |
| C19 | C21 | H29 | H28 | 119.6° | 120.1° |
| C19 | C21 | C22 | H31 | 177.5° | 177.6° |
| C19 | C21 | C22 | H30 | 63.1° | 62.4° |
| C21 | C19 | C20 | H27 | 171.0° | 62.9° |
| C21 | C19 | C20 | H26 | 69.3° | 176.9° |
| C20 | C19 | N6 | H25 | 116.8° | 120.2° |
| C20 | C19 | N6 | C18 | 166.4° | 85.3° |
| C20 | C19 | N6 | H24 | 45.7° | 38.7° |
| C20 | C19 | C21 | H29 | 68.7° | 176.9° |
| C20 | C19 | C21 | H28 | 171.6° | 63.0° |
| C19 | C20 | C23 | H32 | 64.3° | 62.4° |
| C19 | C20 | C23 | H33 | 176.3° | 177.5° |
| C19 | C20 | H27 | H26 | 119.6° | 120.2° |
| C19 | N6 | C18 | H24 | 120.6° | 124.0° |
| C19 | N6 | C18 | C15 | 165.8° | 180.0° |
| C19 | N6 | C18 | H23 | 73.8° | 60.0° |
| C19 | N6 | C18 | H22 | 45.5° | 60.0° |
| N6 | C19 | C21 | H29 | 53.2° | 63.3° |
| N6 | C19 | C21 | H28 | 66.6° | 56.9° |
| N6 | C19 | C20 | H27 | 64.1° | 57.0° |
| N6 | C19 | C20 | H26 | 55.6° | 63.2° |
| N6 | C18 | C15 | H23 | 120.4° | 120.0° |
| N6 | C18 | C15 | H22 | 120.3° | 120.0° |
| N6 | C18 | C15 | C14 | 110.7° | 90.0° |
| N6 | C18 | C15 | C16 | 77.5° | 89.8° |
| N6 | C18 | H23 | H22 | 118.9° | 120.0° |
| C18 | N6 | C19 | H25 | 49.5° | 34.9° |
| C18 | C15 | C14 | C16 | 172.0° | 179.7° |
| C18 | C15 | C14 | C13 | 167.5° | 180.0° |
| C18 | C15 | C16 | C17 | 168.7° | 179.7° |
| C18 | C15 | C16 | H20 | 11.3° | 0.2° |
| C18 | C15 | C14 | H19 | 12.5° | 0.3° |
| C15 | C18 | H23 | H22 | 118.9° | 119.9° |
| C15 | C18 | N6 | H24 | 45.2° | 56.0° |
| C15 | C14 | C13 | H19 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 3.3° | 0.0° |
| C15 | C14 | C13 | O2 | 174.0° | 180.0° |
| C15 | C14 | C13 | C12 | 2.8° | 0.5° |
| C14 | C15 | C16 | H20 | 176.7° | 179.9° |
| C14 | C15 | C18 | H23 | 9.7° | 150.0° |
| C14 | C15 | C18 | H22 | 128.9° | 30.1° |
| C16 | C15 | C14 | C13 | 4.5° | 0.3° |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.4° | 0.0° |
| C15 | C16 | C17 | H21 | 179.6° | 180.0° |
| C16 | C15 | C14 | H19 | 175.5° | 180.0° |
| C16 | C15 | C18 | H23 | 162.2° | 30.3° |
| C16 | C15 | C18 | H22 | 42.9° | 150.2° |
| O | C8 | C9 | H10 | 120.2° | 120.0° |
| O | C8 | C9 | H9 | 120.3° | 120.0° |
| O | C8 | C9 | C5 | 178.9° | 180.0° |
| O | C8 | H10 | H9 | 119.3° | 120.0° |
| O | C8 | C9 | H12 | 60.4° | 60.1° |
| O | C8 | C9 | H11 | 58.2° | 60.0° |
| C14 | C13 | O2 | C24 | 1.7° | 0.0° |
| C14 | C13 | O2 | C12 | 177.0° | 179.5° |
| C14 | C13 | C12 | C17 | 0.2° | 0.5° |
| C14 | C13 | C12 | C11 | 179.5° | 179.7° |
| C16 | C17 | C12 | C13 | 1.4° | 0.2° |
| C16 | C17 | C12 | H21 | 180.0° | 180.0° |
| C16 | C17 | C12 | C11 | 179.3° | 180.0° |
| C24 | O2 | C13 | C12 | 178.6° | 179.5° |
| O2 | C24 | H36 | H35 | 120.0° | 120.1° |
| O2 | C24 | H36 | H34 | 120.0° | 120.0° |
| O2 | C24 | H35 | H34 | 120.0° | 120.0° |
| C8 | C9 | C5 | H12 | 120.7° | 120.0° |
| C8 | C9 | C5 | H11 | 120.7° | 120.0° |
| C8 | C9 | C5 | N1 | 50.0° | 65.0° |
| C8 | C9 | C5 | C6 | 169.3° | 175.0° |
| C9 | C8 | H10 | H9 | 119.3° | 120.0° |
| C8 | C9 | H12 | H11 | 117.8° | 120.1° |
| C8 | C9 | C5 | H4 | 72.5° | 55.0° |
| C9 | C8 | O | H16 | 180.0° | 180.0° |
| O2 | C13 | C12 | C17 | 177.2° | 180.0° |
| O2 | C13 | C12 | C11 | 3.4° | 0.2° |
| O2 | C13 | C14 | H19 | 6.0° | 0.3° |
| C13 | O2 | C24 | H36 | 180.0° | 180.0° |
| C13 | O2 | C24 | H35 | 60.0° | 60.0° |
| C13 | O2 | C24 | H34 | 60.0° | 60.0° |
| C13 | C12 | C17 | C11 | 179.3° | 179.8° |
| C13 | C12 | C11 | N2 | 133.8° | 84.8° |
| C13 | C12 | C11 | H18 | 105.6° | 35.2° |
| C13 | C12 | C11 | H17 | 13.2° | 155.3° |
| C13 | C12 | C17 | H21 | 178.6° | 179.8° |
| C12 | C13 | C14 | H19 | 177.2° | 179.8° |
| C17 | C12 | C11 | N2 | 46.9° | 95.1° |
| C17 | C12 | C11 | H18 | 73.7° | 145.0° |
| C17 | C12 | C11 | H17 | 167.5° | 24.9° |
| C12 | C17 | C16 | H20 | 179.7° | 179.9° |
| C12 | C11 | N2 | H18 | 120.6° | 119.9° |
| C12 | C11 | N2 | H17 | 120.6° | 120.0° |
| C12 | C11 | N2 | C2 | 81.2° | 92.7° |
| C12 | C11 | N2 | N3 | 98.0° | 87.0° |
| C12 | C11 | H18 | H17 | 118.2° | 120.0° |
| C11 | C12 | C17 | H21 | 0.7° | 0.1° |
| C9 | C5 | N1 | C6 | 116.1° | 120.0° |
| C9 | C5 | N1 | H4 | 122.0° | 120.0° |
| C9 | C5 | C6 | H4 | 118.1° | 120.0° |
| C9 | C5 | N1 | C1 | 127.8° | 155.0° |
| C9 | C5 | C6 | C7 | 174.8° | 175.0° |
| C9 | C5 | N1 | H2 | 5.2° | 25.3° |
| C5 | C9 | C8 | H10 | 58.7° | 60.0° |
| C5 | C9 | C8 | H9 | 60.8° | 60.0° |
| C5 | C9 | H12 | H11 | 117.8° | 119.9° |
| C9 | C5 | C6 | H6 | 64.4° | 55.0° |
| C9 | C5 | C6 | H5 | 54.1° | 65.0° |
| C11 | N2 | C2 | N3 | 179.2° | 179.8° |
| C11 | N2 | C2 | C1 | 0.5° | 0.2° |
| C11 | N2 | C2 | C3 | 178.6° | 179.8° |
| C11 | N2 | N3 | C | 178.9° | 179.8° |
| N2 | C11 | H18 | H17 | 118.1° | 120.1° |
| N1 | C5 | C6 | H4 | 122.5° | 120.0° |
| C5 | N1 | C1 | H2 | 122.6° | 179.7° |
| N1 | C5 | C6 | C7 | 65.8° | 65.0° |
| C5 | N1 | C1 | C2 | 176.6° | 174.1° |
| C5 | N1 | C1 | N5 | 4.3° | 5.7° |
| N1 | C5 | C9 | H12 | 70.7° | 55.0° |
| N1 | C5 | C9 | H11 | 170.7° | 175.0° |
| N1 | C5 | C6 | H6 | 55.0° | 175.0° |
| N1 | C5 | C6 | H5 | 173.5° | 55.0° |
| C6 | C5 | N1 | C1 | 116.0° | 85.0° |
| C5 | C6 | C7 | H6 | 120.8° | 120.0° |
| C5 | C6 | C7 | H5 | 120.7° | 120.0° |
| C5 | C6 | C7 | C10 | 134.1° | 180.0° |
| C6 | C5 | N1 | H2 | 121.3° | 94.7° |
| C5 | C6 | C7 | H7 | 105.5° | 59.9° |
| C5 | C6 | C7 | H8 | 13.7° | 60.0° |
| C6 | C5 | C9 | H12 | 48.6° | 65.0° |
| C6 | C5 | C9 | H11 | 70.0° | 55.0° |
| C5 | C6 | H6 | H5 | 117.7° | 120.0° |
| N1 | C1 | C2 | N2 | 2.7° | 0.1° |
| N1 | C1 | C2 | N5 | 179.0° | 179.9° |
| N1 | C1 | C2 | C3 | 179.2° | 180.0° |
| N1 | C1 | N5 | C4 | 178.7° | 180.0° |
| C1 | N1 | C5 | H4 | 5.8° | 35.0° |
| C6 | C7 | C10 | H7 | 120.4° | 120.0° |
| C6 | C7 | C10 | H8 | 120.4° | 120.0° |
| C6 | C7 | H7 | H8 | 118.8° | 120.0° |
| C7 | C6 | C5 | H4 | 56.7° | 55.0° |
| C7 | C6 | H6 | H5 | 117.7° | 120.0° |
| C6 | C7 | C10 | H14 | 180.0° | 60.0° |
| C6 | C7 | C10 | H13 | 60.0° | 60.0° |
| C6 | C7 | C10 | H15 | 60.0° | 180.0° |
| N2 | C2 | C1 | C3 | 178.0° | 179.9° |
| N2 | C2 | C1 | N5 | 176.2° | 180.0° |
| C2 | N2 | N3 | C | 0.4° | 0.0° |
| N2 | C2 | C3 | C | 0.7° | 0.0° |
| N2 | C2 | C3 | N4 | 177.4° | 180.0° |
| C2 | N2 | C11 | H18 | 158.2° | 147.3° |
| C2 | N2 | C11 | H17 | 39.4° | 27.2° |
| N3 | N2 | C2 | C1 | 178.8° | 179.9° |
| N3 | N2 | C2 | C3 | 0.7° | 0.0° |
| N2 | N3 | C | C3 | 0.1° | 0.0° |
| N2 | N3 | C | H3 | 179.9° | 180.0° |
| N3 | N2 | C11 | H18 | 22.6° | 32.9° |
| N3 | N2 | C11 | H17 | 141.4° | 153.0° |
| C2 | C1 | N5 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | C | 179.3° | 180.0° |
| C1 | C2 | C3 | N4 | 1.3° | 0.0° |
| C2 | C1 | N1 | H2 | 60.8° | 5.6° |
| N5 | C1 | C2 | C3 | 1.8° | 0.1° |
| C1 | N5 | C4 | N | 168.9° | 179.9° |
| C1 | N5 | C4 | N4 | 3.4° | 0.1° |
| N5 | C1 | N1 | H2 | 118.3° | 174.5° |
| C2 | C3 | C | N3 | 0.5° | 0.0° |
| C2 | C3 | C | N4 | 177.8° | 180.0° |
| C2 | C3 | N4 | C4 | 1.3° | 0.0° |
| C2 | C3 | C | H3 | 179.5° | 180.0° |
| N3 | C | C3 | H3 | 180.0° | 180.0° |
| N3 | C | C3 | N4 | 177.3° | 180.0° |
| N5 | C4 | N4 | C3 | 3.8° | 0.0° |
| N5 | C4 | N | N4 | 172.9° | 180.0° |
| N5 | C4 | N | H | 0.0° | 179.9° |
| N5 | C4 | N | H1 | 120.0° | 0.0° |
| C | C3 | N4 | C4 | 176.1° | 180.0° |
| C3 | N4 | C4 | N | 168.4° | 180.0° |
| N4 | C3 | C | H3 | 2.7° | 0.0° |
| C4 | N | H | H1 | 120.0° | 179.9° |
| N4 | C4 | N | H | 172.9° | 0.0° |
| N4 | C4 | N | H1 | 52.9° | 180.0° |
| C10 | C7 | H7 | H8 | 118.8° | 120.0° |
| C10 | C7 | C6 | H6 | 13.3° | 60.0° |
| C10 | C7 | C6 | H5 | 105.2° | 60.0° |
| C7 | C10 | H14 | H13 | 120.0° | 119.9° |
| C7 | C10 | H14 | H15 | 120.0° | 120.1° |
| C7 | C10 | H13 | H15 | 120.0° | 120.0° |
| H2 | N1 | C5 | H4 | 116.8° | 145.3° |
| H7 | C7 | C6 | H6 | 133.7° | 60.0° |
| H7 | C7 | C6 | H5 | 15.2° | 180.0° |
| H7 | C7 | C10 | H14 | 59.6° | 180.0° |
| H7 | C7 | C10 | H13 | 179.6° | 60.1° |
| H7 | C7 | C10 | H15 | 60.4° | 59.9° |
| H8 | C7 | C6 | H6 | 107.0° | 180.0° |
| H8 | C7 | C6 | H5 | 134.5° | 60.0° |
| H8 | C7 | C10 | H14 | 59.6° | 60.0° |
| H8 | C7 | C10 | H13 | 60.4° | 180.0° |
| H8 | C7 | C10 | H15 | 179.6° | 60.0° |
| H10 | C8 | C9 | H12 | 179.4° | 59.9° |
| H10 | C8 | C9 | H11 | 62.0° | 180.0° |
| H10 | C8 | O | H16 | 59.8° | 60.0° |
| H9 | C8 | C9 | H12 | 59.9° | 179.9° |
| H9 | C8 | C9 | H11 | 178.5° | 60.0° |
| H9 | C8 | O | H16 | 59.7° | 60.0° |
| H12 | C9 | C5 | H4 | 166.7° | 175.0° |
| H11 | C9 | C5 | H4 | 48.2° | 65.0° |
| H4 | C5 | C6 | H6 | 177.4° | 65.0° |
| H4 | C5 | C6 | H5 | 64.1° | 175.0° |
| H14 | C10 | H13 | H15 | 120.0° | 120.0° |
| H21 | C17 | C16 | H20 | 0.3° | 0.1° |
| H36 | C24 | H35 | H34 | 120.0° | 119.9° |
| H23 | C18 | N6 | H24 | 165.6° | 64.0° |
| H22 | C18 | N6 | H24 | 75.1° | 176.0° |
| H24 | N6 | C19 | H25 | 71.1° | 158.9° |
| H25 | C19 | C21 | H29 | 173.4° | 56.9° |
| H25 | C19 | C21 | H28 | 53.7° | 177.0° |
| H25 | C19 | C20 | H27 | 53.1° | 177.1° |
| H25 | C19 | C20 | H26 | 172.8° | 56.9° |
| H29 | C21 | C22 | H31 | 57.3° | 62.5° |
| H29 | C21 | C22 | H30 | 176.8° | 57.5° |
| H28 | C21 | C22 | H31 | 62.4° | 57.6° |
| H28 | C21 | C22 | H30 | 57.0° | 177.7° |
| H32 | C23 | C20 | H27 | 55.9° | 177.7° |
| H32 | C23 | C20 | H26 | 175.6° | 57.5° |
| H33 | C23 | C20 | H27 | 63.5° | 57.6° |
| H33 | C23 | C20 | H26 | 56.2° | 62.6° |
