Q7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C4 | N2 | sing | 1.48Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| N2 | C6 | sing | 1.37Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| C6 | O1 | doub | 1.22Å | 1.23Å | |
| C3 | C2 | sing | 1.53Å | 1.48Å | |
| C7 | O2 | sing | 1.43Å | 1.46Å | |
| C2 | N1 | sing | 1.48Å | 1.47Å | |
| O2 | C8 | sing | 1.36Å | 1.39Å | |
| N1 | C24 | sing | 1.49Å | 1.46Å | |
| N1 | C1 | sing | 1.49Å | 1.49Å | |
| C24 | C23 | sing | 1.50Å | 1.50Å | |
| C9 | C8 | doub | 1.37Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | O4 | sing | 1.43Å | 1.42Å | |
| C23 | C22 | doub | 1.35Å | 1.36Å | Aromatic |
| C23 | C25 | sing | 1.46Å | 1.43Å | Aromatic |
| C18 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | O3 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.50Å | |
| C22 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| N3 | C10 | sing | 1.38Å | 1.41Å | |
| N3 | C19 | sing | 1.36Å | 1.37Å | |
| O3 | C13 | sing | 1.36Å | 1.37Å | |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C25 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| O4 | C16 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C19 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| N6 | C21 | sing | 1.37Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| N4 | C20 | doub | 1.32Å | 1.34Å | Aromatic |
| N5 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| 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 | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.08Å | 1.10Å | |
| C2 | H20 | sing | 1.08Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.10Å | |
| C24 | H33 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | N2 | C4 | 118.7° | 122.1° |
| C5 | N2 | C6 | 120.7° | 122.9° |
| N2 | C5 | H3 | 109.5° | 109.4° |
| N2 | C5 | H4 | 109.5° | 109.4° |
| N2 | C5 | H5 | 109.5° | 109.5° |
| N2 | C4 | C3 | 112.4° | 109.5° |
| C4 | N2 | C6 | 120.5° | 114.9° |
| N2 | C4 | H1 | 108.7° | 109.6° |
| N2 | C4 | H2 | 108.7° | 109.8° |
| C4 | C3 | C2 | 113.4° | 109.5° |
| C3 | C4 | H1 | 108.7° | 109.7° |
| C3 | C4 | H2 | 108.8° | 109.4° |
| C4 | C3 | H21 | 108.5° | 109.8° |
| C4 | C3 | H22 | 108.4° | 110.0° |
| N2 | C6 | C7 | 116.7° | 118.8° |
| N2 | C6 | O1 | 121.8° | 120.8° |
| C7 | C6 | O1 | 121.2° | 120.5° |
| C6 | C7 | O2 | 110.6° | 109.8° |
| C6 | C7 | H7 | 109.2° | 109.6° |
| C6 | C7 | H8 | 109.2° | 109.8° |
| C3 | C2 | N1 | 113.7° | 109.2° |
| C3 | C2 | H19 | 108.4° | 109.8° |
| C3 | C2 | H20 | 108.4° | 109.7° |
| C2 | C3 | H21 | 108.4° | 108.7° |
| C2 | C3 | H22 | 108.5° | 109.9° |
| C7 | O2 | C8 | 116.6° | 118.2° |
| O2 | C7 | H7 | 109.2° | 108.9° |
| O2 | C7 | H8 | 109.2° | 109.1° |
| C2 | N1 | C24 | 108.9° | 108.8° |
| C2 | N1 | C1 | 112.0° | 106.4° |
| N1 | C2 | H19 | 108.4° | 109.4° |
| N1 | C2 | H20 | 108.4° | 108.5° |
| O2 | C8 | C9 | 124.4° | 120.0° |
| O2 | C8 | C13 | 115.6° | 120.0° |
| C24 | N1 | C1 | 110.7° | 108.1° |
| N1 | C24 | C23 | 111.9° | 111.2° |
| N1 | C24 | H32 | 108.9° | 110.5° |
| N1 | C24 | H33 | 108.9° | 106.6° |
| N1 | C1 | H16 | 109.5° | 109.5° |
| N1 | C1 | H17 | 109.4° | 109.5° |
| N1 | C1 | H18 | 109.5° | 109.4° |
| C24 | C23 | C22 | 125.8° | 125.0° |
| C24 | C23 | C25 | 127.8° | 128.4° |
| C23 | C24 | H32 | 108.9° | 112.2° |
| C23 | C24 | H33 | 108.9° | 107.8° |
| C8 | C9 | C10 | 119.8° | 120.7° |
| C9 | C8 | C13 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.1° | 120.6° |
| C9 | C10 | N3 | 117.2° | 116.9° |
| C9 | C10 | C11 | 119.9° | 119.1° |
| C10 | C9 | H9 | 120.1° | 118.6° |
| C8 | C13 | O3 | 116.7° | 120.1° |
| C8 | C13 | C12 | 120.0° | 119.6° |
| C18 | C17 | O4 | 111.4° | 109.5° |
| C17 | C18 | C14 | 106.3° | 109.1° |
| C18 | C17 | H25 | 109.0° | 109.5° |
| C18 | C17 | H26 | 109.0° | 109.5° |
| C17 | C18 | H27 | 110.3° | 109.5° |
| C17 | C18 | H28 | 110.3° | 109.5° |
| C17 | O4 | C16 | 110.1° | 114.1° |
| O4 | C17 | H25 | 109.0° | 109.4° |
| O4 | C17 | H26 | 109.0° | 109.5° |
| C22 | C23 | C25 | 105.9° | 106.6° |
| C23 | C22 | N6 | 110.2° | 109.6° |
| C23 | C22 | H31 | 124.9° | 125.0° |
| C23 | C25 | C19 | 137.2° | 135.2° |
| C23 | C25 | C21 | 107.0° | 106.2° |
| C18 | C14 | O3 | 109.0° | 109.5° |
| C18 | C14 | C15 | 112.2° | 109.0° |
| C18 | C14 | H13 | 107.4° | 109.6° |
| C14 | C18 | H27 | 110.2° | 109.5° |
| C14 | C18 | H28 | 110.3° | 109.5° |
| O3 | C14 | C15 | 112.0° | 109.5° |
| C14 | O3 | C13 | 116.9° | 117.0° |
| O3 | C14 | H13 | 108.5° | 109.5° |
| C14 | C15 | C16 | 109.6° | 109.2° |
| C15 | C14 | H13 | 107.6° | 109.5° |
| C14 | C15 | H14 | 109.5° | 109.5° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C22 | N6 | C21 | 107.9° | 110.3° |
| C22 | N6 | H30 | 126.0° | 124.8° |
| N6 | C22 | H31 | 124.9° | 125.4° |
| C10 | N3 | C19 | 130.5° | 133.0° |
| N3 | C10 | C11 | 122.7° | 124.0° |
| C10 | N3 | H12 | 114.7° | 112.5° |
| N3 | C19 | C25 | 119.6° | 118.7° |
| N3 | C19 | N4 | 117.8° | 123.5° |
| C19 | N3 | H12 | 114.7° | 114.5° |
| O3 | C13 | C12 | 123.2° | 120.3° |
| C10 | C11 | C12 | 120.6° | 120.1° |
| C10 | C11 | H10 | 119.7° | 120.1° |
| C13 | C12 | C11 | 119.7° | 120.4° |
| C13 | C12 | H11 | 120.2° | 119.8° |
| C19 | C25 | C21 | 115.7° | 118.6° |
| C25 | C19 | N4 | 122.5° | 117.8° |
| C25 | C21 | N6 | 108.7° | 107.1° |
| C25 | C21 | N5 | 124.1° | 118.9° |
| O4 | C16 | C15 | 107.7° | 109.4° |
| O4 | C16 | H23 | 109.9° | 109.4° |
| O4 | C16 | H24 | 109.9° | 109.5° |
| C16 | C15 | H14 | 109.4° | 109.5° |
| C16 | C15 | H15 | 109.5° | 109.6° |
| C15 | C16 | H23 | 109.9° | 109.5° |
| C15 | C16 | H24 | 109.9° | 109.5° |
| C19 | N4 | C20 | 114.4° | 121.2° |
| N6 | C21 | N5 | 127.2° | 134.0° |
| C21 | N6 | H30 | 126.1° | 124.9° |
| C12 | C11 | H10 | 119.7° | 119.7° |
| C11 | C12 | H11 | 120.1° | 119.7° |
| C21 | N5 | C20 | 113.8° | 120.2° |
| N4 | C20 | N5 | 129.5° | 123.2° |
| N4 | C20 | H29 | 115.3° | 118.6° |
| N5 | C20 | H29 | 115.2° | 118.2° |
| H1 | C4 | H2 | 109.5° | 109.0° |
| H3 | C5 | H4 | 109.5° | 109.5° |
| H3 | C5 | H5 | 109.4° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.4° | 109.5° |
| H16 | C1 | H17 | 109.4° | 109.5° |
| H16 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.4° |
| H19 | C2 | H20 | 109.5° | 110.1° |
| H21 | C3 | H22 | 109.5° | 108.9° |
| H23 | C16 | H24 | 109.5° | 109.5° |
| H25 | C17 | H26 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.6° |
| H32 | C24 | H33 | 109.5° | 108.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | N2 | C4 | C6 | 178.1° | 179.4° |
| C5 | N2 | C4 | C3 | 103.2° | 81.7° |
| C5 | N2 | C6 | C7 | 7.3° | 7.8° |
| C5 | N2 | C6 | O1 | 179.3° | 170.9° |
| C5 | N2 | C4 | H1 | 136.4° | 38.6° |
| C5 | N2 | C4 | H2 | 17.3° | 158.2° |
| N2 | C5 | H3 | H4 | 120.0° | 120.0° |
| N2 | C5 | H3 | H5 | 120.0° | 120.0° |
| N2 | C5 | H4 | H5 | 120.0° | 120.0° |
| N2 | C4 | C3 | H1 | 120.4° | 120.2° |
| N2 | C4 | C3 | H2 | 120.4° | 120.3° |
| C4 | N2 | C6 | C7 | 170.8° | 172.8° |
| C4 | N2 | C6 | O1 | 2.6° | 8.4° |
| N2 | C4 | C3 | C2 | 69.8° | 94.4° |
| N2 | C4 | H1 | H2 | 118.6° | 120.1° |
| 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 | H21 | 50.8° | 24.9° |
| N2 | C4 | C3 | H22 | 169.7° | 144.8° |
| C3 | C4 | N2 | C6 | 74.9° | 98.9° |
| C4 | C3 | C2 | H21 | 120.6° | 120.0° |
| C4 | C3 | C2 | H22 | 120.6° | 120.9° |
| C4 | C3 | C2 | N1 | 159.9° | 167.2° |
| C3 | C4 | H1 | H2 | 118.7° | 119.7° |
| C4 | C3 | C2 | H19 | 79.5° | 72.8° |
| C4 | C3 | C2 | H20 | 39.3° | 48.3° |
| C4 | C3 | H21 | H22 | 118.2° | 120.5° |
| N2 | C6 | C7 | O1 | 173.4° | 178.8° |
| N2 | C6 | C7 | O2 | 151.5° | 175.8° |
| C6 | N2 | C4 | H1 | 45.5° | 140.8° |
| C6 | N2 | C4 | H2 | 164.6° | 21.2° |
| C6 | N2 | C5 | H3 | 1.9° | 90.7° |
| C6 | N2 | C5 | H4 | 118.1° | 29.3° |
| C6 | N2 | C5 | H5 | 121.9° | 149.3° |
| N2 | C6 | C7 | H7 | 31.3° | 64.6° |
| N2 | C6 | C7 | H8 | 88.4° | 55.8° |
| C6 | C7 | O2 | H7 | 120.2° | 120.0° |
| C6 | C7 | O2 | H8 | 120.2° | 120.4° |
| C6 | C7 | O2 | C8 | 70.2° | 78.3° |
| C6 | C7 | H7 | H8 | 119.5° | 120.6° |
| O1 | C6 | C7 | O2 | 21.9° | 5.4° |
| O1 | C6 | C7 | H7 | 142.1° | 114.1° |
| O1 | C6 | C7 | H8 | 98.2° | 125.5° |
| C3 | C2 | N1 | H19 | 120.6° | 120.2° |
| C3 | C2 | N1 | H20 | 120.6° | 119.6° |
| C3 | C2 | N1 | C24 | 172.4° | 92.7° |
| C3 | C2 | N1 | C1 | 49.6° | 151.1° |
| C2 | C3 | C4 | H1 | 169.8° | 145.4° |
| C2 | C3 | C4 | H2 | 50.7° | 26.0° |
| C3 | C2 | H19 | H20 | 118.1° | 120.9° |
| C2 | C3 | H21 | H22 | 118.2° | 119.7° |
| C7 | O2 | C8 | C9 | 1.3° | 27.4° |
| C7 | O2 | C8 | C13 | 178.2° | 153.7° |
| O2 | C7 | H7 | H8 | 119.5° | 119.3° |
| C2 | N1 | C24 | C1 | 123.6° | 115.2° |
| C2 | N1 | C24 | C23 | 171.6° | 124.8° |
| C2 | N1 | C1 | H16 | 180.0° | 172.7° |
| C2 | N1 | C1 | H17 | 60.0° | 67.3° |
| C2 | N1 | C1 | H18 | 60.0° | 52.7° |
| N1 | C2 | H19 | H20 | 118.1° | 119.2° |
| N1 | C2 | C3 | H21 | 39.3° | 72.8° |
| N1 | C2 | C3 | H22 | 79.5° | 46.3° |
| C2 | N1 | C24 | H32 | 68.0° | 0.5° |
| C2 | N1 | C24 | H33 | 51.2° | 118.0° |
| O2 | C8 | C9 | C13 | 179.4° | 178.8° |
| O2 | C8 | C9 | C10 | 179.8° | 177.4° |
| O2 | C8 | C13 | O3 | 5.7° | 2.1° |
| O2 | C8 | C13 | C12 | 178.6° | 177.6° |
| C8 | O2 | C7 | H7 | 50.0° | 161.7° |
| C8 | O2 | C7 | H8 | 169.7° | 42.1° |
| O2 | C8 | C9 | H9 | 0.2° | 3.2° |
| N1 | C24 | C23 | H32 | 120.4° | 124.4° |
| N1 | C24 | C23 | H33 | 120.4° | 116.5° |
| N1 | C24 | C23 | C22 | 133.7° | 80.8° |
| N1 | C24 | C23 | C25 | 54.9° | 99.4° |
| C24 | N1 | C1 | H16 | 58.2° | 56.0° |
| C24 | N1 | C1 | H17 | 178.2° | 176.1° |
| C24 | N1 | C1 | H18 | 61.8° | 64.0° |
| C24 | N1 | C2 | H19 | 51.7° | 27.5° |
| C24 | N1 | C2 | H20 | 67.0° | 147.8° |
| N1 | C24 | H32 | H33 | 118.9° | 116.4° |
| C1 | N1 | C24 | C23 | 64.8° | 9.6° |
| N1 | C1 | H16 | H17 | 120.0° | 120.0° |
| N1 | C1 | H16 | H18 | 120.0° | 120.0° |
| N1 | C1 | H17 | H18 | 120.0° | 119.9° |
| C1 | N1 | C2 | H19 | 71.0° | 88.7° |
| C1 | N1 | C2 | H20 | 170.2° | 31.5° |
| C1 | N1 | C24 | H32 | 55.6° | 115.7° |
| C1 | N1 | C24 | H33 | 174.8° | 126.9° |
| C24 | C23 | C22 | C25 | 173.0° | 179.8° |
| C24 | C23 | C22 | N6 | 170.6° | 179.6° |
| C24 | C23 | C25 | C19 | 7.1° | 2.3° |
| C24 | C23 | C25 | C21 | 169.5° | 177.4° |
| C24 | C23 | C22 | H31 | 9.4° | 0.1° |
| C23 | C24 | H32 | H33 | 118.9° | 118.8° |
| C8 | C9 | C10 | H9 | 180.0° | 179.4° |
| C8 | C9 | C10 | N3 | 175.1° | 179.0° |
| C9 | C8 | C13 | O3 | 173.8° | 179.1° |
| C8 | C9 | C10 | C11 | 0.9° | 1.0° |
| C9 | C8 | C13 | C12 | 1.9° | 1.2° |
| C10 | C9 | C8 | C13 | 0.8° | 1.4° |
| C9 | C10 | N3 | C11 | 175.9° | 180.0° |
| C9 | C10 | N3 | C19 | 158.2° | 161.8° |
| C9 | C10 | C11 | C12 | 1.5° | 0.5° |
| C9 | C10 | C11 | H10 | 178.5° | 178.8° |
| C9 | C10 | N3 | H12 | 21.9° | 19.3° |
| C8 | C13 | O3 | C14 | 81.9° | 174.9° |
| C8 | C13 | O3 | C12 | 175.5° | 179.7° |
| C8 | C13 | C12 | C11 | 1.4° | 0.7° |
| C13 | C8 | C9 | H9 | 179.2° | 177.9° |
| C8 | C13 | C12 | H11 | 178.6° | 179.5° |
| C18 | C17 | O4 | H25 | 120.3° | 119.9° |
| C18 | C17 | O4 | H26 | 120.3° | 120.1° |
| C17 | C18 | C14 | H27 | 119.5° | 119.9° |
| C17 | C18 | C14 | H28 | 119.5° | 119.9° |
| C17 | C18 | C14 | O3 | 177.1° | 176.8° |
| C17 | C18 | C14 | C15 | 52.4° | 57.0° |
| C18 | C17 | O4 | C16 | 67.9° | 61.2° |
| C17 | C18 | C14 | H13 | 65.6° | 62.9° |
| C18 | C17 | H25 | H26 | 119.1° | 120.1° |
| C17 | C18 | H27 | H28 | 121.5° | 120.2° |
| O4 | C17 | C18 | C14 | 58.4° | 57.7° |
| C17 | O4 | C16 | C15 | 65.6° | 61.1° |
| C17 | O4 | C16 | H23 | 54.1° | 58.8° |
| C17 | O4 | C16 | H24 | 174.7° | 178.9° |
| O4 | C17 | H25 | H26 | 119.1° | 120.0° |
| O4 | C17 | C18 | H27 | 61.1° | 177.5° |
| O4 | C17 | C18 | H28 | 177.9° | 62.2° |
| C23 | C22 | N6 | H31 | 180.0° | 179.5° |
| C22 | C23 | C25 | C19 | 179.9° | 177.5° |
| C22 | C23 | C25 | C21 | 3.3° | 2.8° |
| C23 | C22 | N6 | C21 | 0.6° | 2.0° |
| C23 | C22 | N6 | H30 | 179.4° | 177.7° |
| C22 | C23 | C24 | H32 | 13.3° | 154.8° |
| C22 | C23 | C24 | H33 | 106.0° | 35.7° |
| C25 | C23 | C22 | N6 | 2.4° | 0.6° |
| C23 | C25 | C19 | N3 | 9.2° | 3.0° |
| C23 | C25 | C19 | C21 | 176.4° | 179.7° |
| C23 | C25 | C19 | N4 | 173.5° | 176.1° |
| C23 | C25 | C21 | N6 | 3.0° | 3.9° |
| C23 | C25 | C21 | N5 | 175.5° | 176.9° |
| C25 | C23 | C22 | H31 | 177.6° | 179.9° |
| C25 | C23 | C24 | H32 | 175.2° | 25.0° |
| C25 | C23 | C24 | H33 | 65.5° | 144.1° |
| C18 | C14 | O3 | C15 | 124.8° | 119.5° |
| C18 | C14 | O3 | H13 | 116.6° | 120.3° |
| C18 | C14 | C15 | H13 | 117.9° | 120.0° |
| C18 | C14 | O3 | C13 | 170.7° | 85.3° |
| C18 | C14 | C15 | C16 | 54.3° | 57.0° |
| C18 | C14 | C15 | H14 | 65.7° | 62.9° |
| C18 | C14 | C15 | H15 | 174.4° | 177.0° |
| C14 | C18 | C17 | H25 | 61.9° | 177.6° |
| C14 | C18 | C17 | H26 | 178.7° | 62.4° |
| C14 | C18 | H27 | H28 | 121.5° | 120.2° |
| O3 | C14 | C15 | H13 | 119.1° | 120.2° |
| C14 | O3 | C13 | C12 | 102.5° | 5.4° |
| O3 | C14 | C15 | C16 | 177.4° | 176.9° |
| O3 | C14 | C15 | H14 | 57.4° | 56.9° |
| O3 | C14 | C15 | H15 | 62.6° | 63.2° |
| O3 | C14 | C18 | H27 | 57.6° | 63.3° |
| O3 | C14 | C18 | H28 | 63.4° | 57.0° |
| C15 | C14 | O3 | C13 | 64.4° | 155.2° |
| C14 | C15 | C16 | O4 | 58.6° | 57.6° |
| C14 | C15 | C16 | H14 | 120.0° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 119.9° |
| C14 | C15 | H14 | H15 | 119.9° | 120.1° |
| C14 | C15 | C16 | H23 | 61.2° | 62.3° |
| C14 | C15 | C16 | H24 | 178.3° | 177.6° |
| C15 | C14 | C18 | H27 | 67.1° | 176.9° |
| C15 | C14 | C18 | H28 | 171.9° | 62.9° |
| C22 | N6 | C21 | C25 | 1.5° | 3.7° |
| C22 | N6 | C21 | H30 | 180.0° | 179.7° |
| C22 | N6 | C21 | N5 | 177.0° | 177.3° |
| C10 | N3 | C19 | H12 | 180.0° | 178.8° |
| C10 | N3 | C19 | C25 | 172.3° | 176.1° |
| C10 | N3 | C19 | N4 | 5.1° | 2.9° |
| N3 | C10 | C11 | C12 | 174.3° | 179.5° |
| N3 | C10 | C9 | H9 | 4.9° | 1.7° |
| N3 | C10 | C11 | H10 | 5.7° | 1.3° |
| C19 | N3 | C10 | C11 | 26.0° | 18.1° |
| N3 | C19 | C25 | N4 | 177.3° | 179.1° |
| N3 | C19 | C25 | C21 | 174.4° | 177.3° |
| N3 | C19 | N4 | C20 | 175.1° | 179.4° |
| O3 | C13 | C12 | C11 | 174.0° | 179.6° |
| O3 | C13 | C12 | H11 | 6.0° | 0.2° |
| C13 | O3 | C14 | H13 | 54.1° | 35.0° |
| C10 | C11 | C12 | C13 | 0.3° | 0.3° |
| C10 | C11 | C12 | H10 | 180.0° | 179.2° |
| C11 | C10 | C9 | H9 | 179.1° | 178.3° |
| C10 | C11 | C12 | H11 | 179.7° | 179.9° |
| C11 | C10 | N3 | H12 | 154.0° | 160.7° |
| C13 | C12 | C11 | H11 | 180.0° | 179.8° |
| C13 | C12 | C11 | H10 | 179.6° | 178.9° |
| C19 | C25 | C21 | N6 | 179.6° | 176.3° |
| C19 | C25 | C21 | N5 | 1.9° | 2.9° |
| C25 | C19 | N4 | C20 | 2.3° | 1.6° |
| C25 | C19 | N3 | H12 | 7.7° | 5.1° |
| C21 | C25 | C19 | N4 | 2.9° | 3.6° |
| C25 | C21 | N6 | N5 | 178.5° | 179.0° |
| C25 | C21 | N5 | C20 | 0.4° | 0.0° |
| C25 | C21 | N6 | H30 | 178.5° | 176.0° |
| O4 | C16 | C15 | H23 | 119.7° | 119.9° |
| O4 | C16 | C15 | H24 | 119.7° | 120.0° |
| O4 | C16 | C15 | H14 | 61.5° | 62.4° |
| O4 | C16 | C15 | H15 | 178.6° | 177.5° |
| O4 | C16 | H23 | H24 | 120.8° | 120.0° |
| C16 | O4 | C17 | H25 | 52.4° | 178.9° |
| C16 | O4 | C17 | H26 | 171.9° | 58.9° |
| C16 | C15 | C14 | H13 | 63.5° | 63.0° |
| C16 | C15 | H14 | H15 | 119.9° | 120.1° |
| C15 | C16 | H23 | H24 | 120.8° | 120.1° |
| C19 | N4 | C20 | N5 | 0.6° | 1.4° |
| N4 | C19 | N3 | H12 | 174.9° | 175.9° |
| C19 | N4 | C20 | H29 | 179.4° | 178.4° |
| N6 | C21 | N5 | C20 | 178.6° | 178.9° |
| C21 | N6 | C22 | H31 | 179.4° | 177.6° |
| C21 | N5 | C20 | N4 | 0.3° | 2.2° |
| C21 | N5 | C20 | H29 | 179.7° | 177.6° |
| N5 | C21 | N6 | H30 | 3.1° | 3.0° |
| N4 | C20 | N5 | H29 | 180.0° | 179.7° |
| H1 | C4 | C3 | H21 | 69.6° | 95.3° |
| H1 | C4 | C3 | H22 | 49.2° | 24.6° |
| H2 | C4 | C3 | H21 | 171.2° | 145.3° |
| H2 | C4 | C3 | H22 | 69.9° | 94.9° |
| H3 | C5 | H4 | H5 | 120.0° | 120.0° |
| H10 | C11 | C12 | H11 | 0.3° | 0.9° |
| H13 | C14 | C15 | H14 | 176.5° | 177.1° |
| H13 | C14 | C15 | H15 | 56.5° | 57.0° |
| H13 | C14 | C18 | H27 | 174.9° | 56.9° |
| H13 | C14 | C18 | H28 | 54.0° | 177.2° |
| H14 | C15 | C16 | H23 | 178.8° | 177.7° |
| H14 | C15 | C16 | H24 | 58.2° | 57.6° |
| H15 | C15 | C16 | H23 | 58.8° | 57.6° |
| H15 | C15 | C16 | H24 | 61.7° | 62.4° |
| H16 | C1 | H17 | H18 | 120.0° | 120.0° |
| H19 | C2 | C3 | H21 | 159.9° | 47.2° |
| H19 | C2 | C3 | H22 | 41.1° | 166.3° |
| H20 | C2 | C3 | H21 | 81.4° | 168.3° |
| H20 | C2 | C3 | H22 | 159.8° | 72.5° |
| H25 | C17 | C18 | H27 | 178.6° | 62.6° |
| H25 | C17 | C18 | H28 | 57.7° | 57.7° |
| H26 | C17 | C18 | H27 | 59.2° | 57.5° |
| H26 | C17 | C18 | H28 | 61.8° | 177.7° |
| H30 | N6 | C22 | H31 | 0.6° | 2.8° |
