Q9N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N11 | C26 | sing | 1.38Å | 1.34Å | |
| N8 | C23 | sing | 1.36Å | 1.39Å | Aromatic |
| N8 | C22 | doub | 1.30Å | 1.31Å | Aromatic |
| C26 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C26 | N10 | sing | 1.33Å | 1.35Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.39Å | Aromatic |
| C22 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| O6 | C20 | sing | 1.43Å | 1.42Å | |
| C20 | C21 | sing | 1.55Å | 1.54Å | |
| C20 | C19 | sing | 1.54Å | 1.54Å | |
| N10 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| O7 | C21 | sing | 1.43Å | 1.42Å | |
| C24 | N7 | sing | 1.37Å | 1.37Å | Aromatic |
| C24 | N9 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | C19 | sing | 1.47Å | 1.46Å | |
| C21 | C18 | sing | 1.55Å | 1.52Å | |
| C25 | N9 | sing | 1.32Å | 1.33Å | Aromatic |
| C19 | O5 | sing | 1.44Å | 1.42Å | |
| O5 | C18 | sing | 1.44Å | 1.44Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | O4 | sing | 1.43Å | 1.43Å | |
| N6 | C13 | sing | 1.38Å | 1.34Å | |
| C13 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| O4 | C16 | sing | 1.43Å | 1.42Å | |
| N5 | C12 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C10 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C9 | doub | 1.31Å | 1.32Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.39Å | Aromatic |
| O | C3 | doub | 1.21Å | 1.23Å | |
| C12 | N4 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | sing | 1.47Å | 1.46Å | |
| C9 | C14 | sing | 1.43Å | 1.42Å | |
| C9 | N2 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C14 | trip | 1.17Å | 1.19Å | |
| C11 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| O1 | C5 | sing | 1.44Å | 1.45Å | |
| O1 | C6 | sing | 1.44Å | 1.41Å | |
| C3 | N1 | sing | 1.35Å | 1.33Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C4 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| N2 | C6 | sing | 1.47Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C5 | C8 | sing | 1.54Å | 1.53Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.55Å | 1.53Å | |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C8 | O3 | sing | 1.43Å | 1.42Å | |
| C | N | sing | 1.47Å | 1.47Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| O6 | H9 | sing | 0.97Å | 0.95Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| O7 | H11 | sing | 0.97Å | 0.95Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.08Å | 1.08Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| N11 | H31 | sing | 0.97Å | 1.00Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N6 | H33 | sing | 0.97Å | 1.00Å | |
| N6 | H34 | sing | 0.97Å | 1.00Å | |
| O2 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C26 | C23 | 123.8° | 120.8° |
| N11 | C26 | N10 | 118.5° | 120.7° |
| C26 | N11 | H31 | 109.5° | 120.0° |
| C26 | N11 | H32 | 109.5° | 120.1° |
| C23 | N8 | C22 | 103.7° | 109.4° |
| N8 | C23 | C26 | 132.5° | 134.7° |
| N8 | C23 | C24 | 110.6° | 107.1° |
| N8 | C22 | N7 | 114.1° | 110.0° |
| N8 | C22 | H29 | 122.9° | 125.0° |
| C23 | C26 | N10 | 117.6° | 118.4° |
| C26 | C23 | C24 | 117.0° | 118.2° |
| C26 | N10 | C25 | 118.8° | 121.2° |
| C23 | C24 | N7 | 106.0° | 106.0° |
| C23 | C24 | N9 | 126.6° | 119.1° |
| C22 | N7 | C24 | 105.7° | 107.5° |
| C22 | N7 | C19 | 127.7° | 126.3° |
| N7 | C22 | H29 | 123.0° | 125.0° |
| O6 | C20 | C21 | 111.6° | 110.5° |
| O6 | C20 | C19 | 110.8° | 110.5° |
| C20 | O6 | H9 | 109.5° | 114.0° |
| O6 | C20 | H27 | 111.4° | 110.5° |
| C21 | C20 | C19 | 103.3° | 104.1° |
| C20 | C21 | O7 | 111.7° | 110.5° |
| C20 | C21 | C18 | 102.7° | 104.1° |
| C21 | C20 | H27 | 109.7° | 110.5° |
| C20 | C21 | H28 | 109.7° | 110.5° |
| C20 | C19 | N7 | 114.0° | 110.4° |
| C20 | C19 | O5 | 107.4° | 104.8° |
| C20 | C19 | H24 | 107.9° | 110.4° |
| C19 | C20 | H27 | 109.7° | 110.7° |
| N10 | C25 | N9 | 128.9° | 122.4° |
| N10 | C25 | H30 | 115.6° | 118.8° |
| O7 | C21 | C18 | 111.2° | 110.5° |
| C21 | O7 | H11 | 109.5° | 114.0° |
| O7 | C21 | H28 | 111.4° | 110.5° |
| N7 | C24 | N9 | 127.4° | 134.9° |
| C24 | N7 | C19 | 126.5° | 126.2° |
| C24 | N9 | C25 | 111.1° | 120.6° |
| N7 | C19 | O5 | 109.0° | 110.3° |
| N7 | C19 | H24 | 108.9° | 110.4° |
| C21 | C18 | O5 | 103.5° | 104.8° |
| C21 | C18 | C17 | 116.0° | 110.4° |
| C21 | C18 | H23 | 108.5° | 110.4° |
| C18 | C21 | H28 | 109.9° | 110.6° |
| N9 | C25 | H30 | 115.6° | 118.8° |
| C19 | O5 | C18 | 106.7° | 105.3° |
| O5 | C19 | H24 | 109.5° | 110.4° |
| O5 | C18 | C17 | 110.5° | 110.4° |
| O5 | C18 | H23 | 109.6° | 110.4° |
| C18 | C17 | O4 | 110.0° | 109.5° |
| C18 | C17 | H21 | 109.3° | 109.4° |
| C18 | C17 | H22 | 109.3° | 109.5° |
| C17 | C18 | H23 | 108.6° | 110.3° |
| C17 | O4 | C16 | 112.2° | 114.0° |
| O4 | C17 | H21 | 109.3° | 109.5° |
| O4 | C17 | H22 | 109.3° | 109.5° |
| N6 | C13 | N5 | 118.5° | 120.7° |
| N6 | C13 | C10 | 123.9° | 120.8° |
| C13 | N6 | H33 | 109.5° | 120.0° |
| C13 | N6 | H34 | 109.5° | 120.0° |
| N5 | C13 | C10 | 117.6° | 118.5° |
| C13 | N5 | C12 | 118.8° | 121.2° |
| C13 | C10 | N3 | 131.9° | 134.4° |
| C13 | C10 | C11 | 116.9° | 118.1° |
| O4 | C16 | C15 | 112.3° | 109.5° |
| O4 | C16 | H19 | 108.7° | 109.5° |
| O4 | C16 | H20 | 108.7° | 109.5° |
| N5 | C12 | N4 | 129.0° | 122.5° |
| N5 | C12 | H10 | 115.5° | 118.8° |
| C10 | N3 | C9 | 103.8° | 109.4° |
| N3 | C10 | C11 | 111.2° | 107.4° |
| N3 | C9 | C14 | 124.3° | 125.2° |
| N3 | C9 | N2 | 113.4° | 109.7° |
| C10 | C11 | N4 | 126.7° | 119.0° |
| C10 | C11 | N2 | 105.7° | 106.3° |
| O | C3 | N1 | 122.7° | 120.0° |
| O | C3 | C2 | 121.2° | 120.0° |
| C12 | N4 | C11 | 111.1° | 120.7° |
| N4 | C12 | H10 | 115.5° | 118.7° |
| C16 | C15 | C14 | 176.7° | 180.0° |
| C15 | C16 | H19 | 108.7° | 109.5° |
| C15 | C16 | H20 | 108.7° | 109.4° |
| C14 | C9 | N2 | 122.1° | 125.2° |
| C9 | C14 | C15 | 175.6° | 180.0° |
| C9 | N2 | C11 | 105.9° | 107.3° |
| C9 | N2 | C6 | 128.4° | 126.3° |
| N4 | C11 | N2 | 127.6° | 134.7° |
| C11 | N2 | C6 | 125.7° | 126.4° |
| C5 | O1 | C6 | 109.4° | 105.3° |
| O1 | C5 | C4 | 109.8° | 110.4° |
| O1 | C5 | C8 | 106.0° | 104.8° |
| O1 | C5 | H4 | 108.9° | 110.5° |
| O1 | C6 | N2 | 109.2° | 110.5° |
| O1 | C6 | C7 | 105.9° | 104.8° |
| O1 | C6 | H5 | 109.1° | 110.4° |
| N1 | C3 | C2 | 116.1° | 120.0° |
| C3 | N1 | C4 | 122.9° | 119.9° |
| C3 | N1 | H6 | 118.6° | 120.0° |
| C3 | C2 | C1 | 113.4° | 109.5° |
| C3 | C2 | H25 | 108.5° | 109.5° |
| C3 | C2 | H26 | 108.5° | 109.5° |
| N1 | C4 | C5 | 113.0° | 109.4° |
| N1 | C4 | H2 | 108.6° | 109.5° |
| N1 | C4 | H3 | 108.6° | 109.5° |
| C4 | N1 | H6 | 118.6° | 120.0° |
| C4 | C5 | C8 | 116.0° | 110.4° |
| C5 | C4 | H2 | 108.6° | 109.5° |
| C5 | C4 | H3 | 108.6° | 109.5° |
| C4 | C5 | H4 | 108.0° | 110.3° |
| N2 | C6 | C7 | 116.1° | 110.4° |
| N2 | C6 | H5 | 108.6° | 110.3° |
| C2 | C1 | C | 113.0° | 109.5° |
| C2 | C1 | H17 | 108.6° | 109.4° |
| C2 | C1 | H18 | 108.5° | 109.5° |
| C1 | C2 | H25 | 108.5° | 109.4° |
| C1 | C2 | H26 | 108.4° | 109.5° |
| C5 | C8 | C7 | 102.5° | 104.0° |
| C5 | C8 | O3 | 110.7° | 110.5° |
| C8 | C5 | H4 | 107.9° | 110.4° |
| C5 | C8 | H8 | 110.3° | 110.5° |
| C6 | C7 | C8 | 100.1° | 104.1° |
| C6 | C7 | O2 | 111.2° | 110.5° |
| C7 | C6 | H5 | 107.7° | 110.4° |
| C6 | C7 | H7 | 110.4° | 110.5° |
| C8 | C7 | O2 | 112.0° | 110.5° |
| C7 | C8 | O3 | 110.6° | 110.5° |
| C8 | C7 | H7 | 110.5° | 110.5° |
| C7 | C8 | H8 | 110.3° | 110.5° |
| O2 | C7 | H7 | 112.0° | 110.5° |
| C7 | O2 | H35 | 109.5° | 114.0° |
| C1 | C | N | 112.6° | 109.4° |
| C1 | C | H15 | 108.7° | 109.5° |
| C1 | C | H16 | 108.7° | 109.4° |
| C | C1 | H17 | 108.6° | 109.5° |
| C | C1 | H18 | 108.6° | 109.5° |
| C8 | O3 | H1 | 109.5° | 114.0° |
| O3 | C8 | H8 | 111.9° | 110.5° |
| C | N | H12 | 109.5° | 111.0° |
| C | N | H13 | 109.5° | 111.0° |
| N | C | H15 | 108.7° | 109.5° |
| N | C | H16 | 108.7° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H12 | N | H13 | 109.4° | 110.9° |
| H15 | C | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H25 | C2 | H26 | 109.5° | 109.5° |
| H31 | N11 | H32 | 109.4° | 120.0° |
| H33 | N6 | H34 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C26 | C23 | N8 | 0.6° | 0.6° |
| N11 | C26 | C23 | N10 | 179.5° | 180.0° |
| N11 | C26 | C23 | C24 | 179.3° | 180.0° |
| N11 | C26 | N10 | C25 | 179.5° | 179.9° |
| C26 | N11 | H31 | H32 | 120.0° | 180.0° |
| N8 | C23 | C26 | C24 | 179.9° | 179.5° |
| N8 | C23 | C26 | N10 | 179.8° | 179.5° |
| C23 | N8 | C22 | N7 | 0.3° | 0.0° |
| N8 | C23 | C24 | N7 | 0.4° | 0.4° |
| N8 | C23 | C24 | N9 | 179.8° | 179.6° |
| C23 | N8 | C22 | H29 | 179.7° | 179.8° |
| C22 | N8 | C23 | C26 | 179.8° | 179.8° |
| C22 | N8 | C23 | C24 | 0.1° | 0.2° |
| N8 | C22 | N7 | H29 | 180.0° | 179.8° |
| N8 | C22 | N7 | C24 | 0.5° | 0.2° |
| N8 | C22 | N7 | C19 | 176.5° | 179.7° |
| C23 | C26 | N10 | C25 | 0.1° | 0.1° |
| C26 | C23 | C24 | N7 | 179.5° | 180.0° |
| C26 | C23 | C24 | N9 | 0.3° | 0.0° |
| C23 | C26 | N11 | H31 | 179.5° | 0.1° |
| C23 | C26 | N11 | H32 | 60.5° | 180.0° |
| N10 | C26 | C23 | C24 | 0.3° | 0.0° |
| C26 | N10 | C25 | N9 | 0.1° | 0.1° |
| C26 | N10 | C25 | H30 | 179.9° | 180.0° |
| N10 | C26 | N11 | H31 | 0.0° | 180.0° |
| N10 | C26 | N11 | H32 | 120.0° | 0.0° |
| C23 | C24 | N7 | C22 | 0.6° | 0.4° |
| C23 | C24 | N7 | N9 | 179.7° | 180.0° |
| C23 | C24 | N7 | C19 | 176.5° | 179.6° |
| C23 | C24 | N9 | C25 | 0.1° | 0.0° |
| C22 | N7 | C19 | C20 | 61.1° | 91.9° |
| C22 | N7 | C24 | C19 | 177.1° | 180.0° |
| C22 | N7 | C24 | N9 | 179.7° | 179.6° |
| C22 | N7 | C19 | O5 | 58.9° | 23.5° |
| C22 | N7 | C19 | H24 | 178.4° | 145.7° |
| O6 | C20 | C21 | C19 | 119.1° | 118.6° |
| O6 | C20 | C21 | H27 | 123.9° | 122.6° |
| O6 | C20 | C19 | H27 | 123.4° | 122.7° |
| O6 | C20 | C21 | O7 | 20.3° | 0.0° |
| O6 | C20 | C19 | N7 | 116.1° | 98.5° |
| O6 | C20 | C21 | C18 | 98.9° | 118.7° |
| O6 | C20 | C19 | O5 | 123.0° | 142.6° |
| O6 | C20 | C19 | H24 | 5.0° | 23.8° |
| O6 | C20 | C21 | H28 | 144.3° | 122.6° |
| C21 | C20 | C19 | H27 | 117.0° | 118.7° |
| C20 | C21 | O7 | C18 | 114.1° | 114.7° |
| C20 | C21 | O7 | H28 | 123.0° | 122.6° |
| C21 | C20 | C19 | N7 | 124.3° | 142.9° |
| C20 | C21 | C18 | H28 | 116.6° | 118.6° |
| C21 | C20 | C19 | O5 | 3.4° | 24.1° |
| C20 | C21 | C18 | O5 | 37.0° | 23.9° |
| C20 | C21 | C18 | C17 | 158.2° | 142.8° |
| C21 | C20 | O6 | H9 | 180.0° | 61.4° |
| C20 | C21 | O7 | H11 | 180.0° | 61.5° |
| C20 | C21 | C18 | H23 | 79.3° | 95.0° |
| C21 | C20 | C19 | H24 | 114.6° | 94.8° |
| C19 | C20 | C21 | O7 | 139.4° | 118.6° |
| C20 | C19 | N7 | C24 | 115.4° | 88.1° |
| C20 | C19 | N7 | O5 | 120.0° | 115.4° |
| C20 | C19 | N7 | H24 | 120.6° | 122.4° |
| C19 | C20 | C21 | C18 | 20.2° | 0.1° |
| C20 | C19 | O5 | H24 | 116.9° | 118.9° |
| C20 | C19 | O5 | C18 | 27.6° | 40.6° |
| C19 | C20 | O6 | H9 | 65.4° | 176.0° |
| C19 | C20 | C21 | H28 | 96.6° | 118.8° |
| N10 | C25 | N9 | C24 | 0.1° | 0.1° |
| N10 | C25 | N9 | H30 | 180.0° | 179.9° |
| O7 | C21 | C18 | H28 | 123.7° | 122.7° |
| O7 | C21 | C18 | O5 | 156.6° | 142.6° |
| O7 | C21 | C18 | C17 | 82.1° | 98.5° |
| O7 | C21 | C18 | H23 | 40.3° | 23.7° |
| O7 | C21 | C20 | H27 | 103.6° | 122.6° |
| N7 | C24 | N9 | C25 | 179.6° | 180.0° |
| C24 | N7 | C19 | O5 | 124.6° | 156.5° |
| C24 | N7 | C19 | H24 | 5.2° | 34.2° |
| C24 | N7 | C22 | H29 | 179.5° | 179.9° |
| N9 | C24 | N7 | C19 | 3.2° | 0.4° |
| C24 | N9 | C25 | H30 | 179.9° | 180.0° |
| N7 | C19 | O5 | H24 | 119.1° | 122.2° |
| N7 | C19 | O5 | C18 | 151.6° | 159.4° |
| N7 | C19 | C20 | H27 | 7.3° | 24.1° |
| C19 | N7 | C22 | H29 | 3.5° | 0.1° |
| C21 | C18 | O5 | C19 | 40.8° | 40.5° |
| C21 | C18 | O5 | C17 | 124.8° | 118.9° |
| C21 | C18 | O5 | H23 | 115.5° | 118.9° |
| C21 | C18 | C17 | H23 | 122.4° | 122.3° |
| C21 | C18 | C17 | O4 | 178.3° | 178.1° |
| C18 | C21 | O7 | H11 | 65.9° | 176.2° |
| C21 | C18 | C17 | H21 | 58.2° | 61.9° |
| C21 | C18 | C17 | H22 | 61.7° | 58.2° |
| C18 | C21 | C20 | H27 | 137.1° | 118.7° |
| C19 | O5 | C18 | C17 | 165.6° | 159.4° |
| C19 | O5 | C18 | H23 | 74.8° | 78.4° |
| O5 | C19 | C20 | H27 | 113.6° | 94.7° |
| O5 | C18 | C17 | H23 | 120.2° | 122.3° |
| O5 | C18 | C17 | O4 | 64.4° | 66.4° |
| O5 | C18 | C17 | H21 | 175.6° | 53.5° |
| O5 | C18 | C17 | H22 | 55.7° | 173.6° |
| C18 | O5 | C19 | H24 | 89.3° | 78.3° |
| O5 | C18 | C21 | H28 | 79.6° | 94.7° |
| C18 | C17 | O4 | H21 | 120.1° | 119.9° |
| C18 | C17 | O4 | H22 | 120.1° | 120.0° |
| C18 | C17 | O4 | C16 | 91.4° | 180.0° |
| C18 | C17 | H21 | H22 | 119.7° | 120.0° |
| C17 | C18 | C21 | H28 | 41.6° | 24.2° |
| C17 | O4 | C16 | C15 | 87.6° | 180.0° |
| C17 | O4 | C16 | H19 | 32.8° | 60.0° |
| C17 | O4 | C16 | H20 | 152.0° | 60.0° |
| O4 | C17 | H21 | H22 | 119.8° | 120.0° |
| O4 | C17 | C18 | H23 | 55.9° | 55.8° |
| N6 | C13 | N5 | C10 | 178.9° | 179.9° |
| N6 | C13 | N5 | C12 | 179.1° | 180.0° |
| N6 | C13 | C10 | N3 | 1.3° | 0.0° |
| N6 | C13 | C10 | C11 | 178.9° | 180.0° |
| C13 | N6 | H33 | H34 | 120.0° | 179.9° |
| N5 | C13 | C10 | N3 | 177.5° | 179.9° |
| N5 | C13 | C10 | C11 | 0.1° | 0.0° |
| C13 | N5 | C12 | N4 | 0.0° | 0.1° |
| C13 | N5 | C12 | H10 | 180.0° | 180.0° |
| N5 | C13 | N6 | H33 | 0.0° | 0.1° |
| N5 | C13 | N6 | H34 | 120.0° | 180.0° |
| C10 | C13 | N5 | C12 | 0.2° | 0.1° |
| C13 | C10 | N3 | C11 | 177.7° | 180.0° |
| C13 | C10 | N3 | C9 | 177.0° | 180.0° |
| C13 | C10 | C11 | N4 | 0.2° | 0.0° |
| C13 | C10 | C11 | N2 | 177.9° | 179.9° |
| C10 | C13 | N6 | H33 | 178.8° | 180.0° |
| C10 | C13 | N6 | H34 | 58.8° | 0.0° |
| O4 | C16 | C15 | H19 | 120.4° | 120.1° |
| O4 | C16 | C15 | H20 | 120.4° | 120.0° |
| O4 | C16 | C15 | C14 | 48.1° | 106.4° |
| O4 | C16 | H19 | H20 | 118.7° | 120.0° |
| C16 | O4 | C17 | H21 | 28.7° | 60.0° |
| C16 | O4 | C17 | H22 | 148.5° | 60.0° |
| N5 | C12 | N4 | H10 | 180.0° | 179.9° |
| N5 | C12 | N4 | C11 | 0.3° | 0.1° |
| C10 | N3 | C9 | C14 | 175.5° | 179.9° |
| C10 | N3 | C9 | N2 | 0.9° | 0.1° |
| N3 | C10 | C11 | N4 | 178.3° | 180.0° |
| N3 | C10 | C11 | N2 | 0.2° | 0.2° |
| C9 | N3 | C10 | C11 | 0.7° | 0.0° |
| N3 | C9 | C14 | N2 | 176.1° | 180.0° |
| N3 | C9 | C14 | C15 | 21.2° | 59.4° |
| N3 | C9 | N2 | C11 | 0.8° | 0.2° |
| N3 | C9 | N2 | C6 | 178.9° | 180.0° |
| C10 | C11 | N4 | C12 | 0.4° | 0.0° |
| C10 | C11 | N2 | C9 | 0.3° | 0.2° |
| C10 | C11 | N4 | N2 | 177.7° | 179.8° |
| C10 | C11 | N2 | C6 | 178.5° | 180.0° |
| O | C3 | N1 | C2 | 179.5° | 180.0° |
| O | C3 | N1 | C4 | 3.8° | 0.0° |
| O | C3 | C2 | C1 | 109.9° | 0.0° |
| O | C3 | N1 | H6 | 176.2° | 179.9° |
| O | C3 | C2 | H25 | 129.6° | 120.0° |
| O | C3 | C2 | H26 | 10.7° | 120.0° |
| C12 | N4 | C11 | N2 | 177.3° | 179.8° |
| C16 | C15 | C14 | C9 | 41.7° | 165.8° |
| C15 | C16 | H19 | H20 | 118.7° | 119.9° |
| C14 | C9 | N2 | C11 | 175.7° | 179.8° |
| C14 | C9 | N2 | C6 | 2.4° | 0.0° |
| N2 | C9 | C14 | C15 | 154.9° | 120.6° |
| C9 | N2 | C11 | N4 | 177.7° | 179.9° |
| C9 | N2 | C11 | C6 | 178.1° | 179.7° |
| C9 | N2 | C6 | O1 | 65.4° | 40.4° |
| C9 | N2 | C6 | C7 | 54.2° | 75.0° |
| C9 | N2 | C6 | H5 | 175.7° | 162.8° |
| C14 | C15 | C16 | H19 | 72.3° | 13.7° |
| C14 | C15 | C16 | H20 | 168.6° | 133.6° |
| N4 | C11 | N2 | C6 | 0.4° | 0.2° |
| C11 | N4 | C12 | H10 | 179.7° | 180.0° |
| C11 | N2 | C6 | O1 | 112.3° | 139.9° |
| C11 | N2 | C6 | C7 | 128.0° | 104.7° |
| C11 | N2 | C6 | H5 | 6.6° | 17.5° |
| O1 | C5 | C4 | N1 | 167.4° | 69.6° |
| O1 | C5 | C4 | C8 | 120.1° | 115.4° |
| O1 | C5 | C4 | H4 | 118.7° | 122.4° |
| C5 | O1 | C6 | N2 | 149.1° | 159.4° |
| O1 | C5 | C8 | H4 | 116.6° | 119.0° |
| C5 | O1 | C6 | C7 | 23.4° | 40.5° |
| O1 | C5 | C8 | C7 | 25.3° | 24.0° |
| O1 | C5 | C8 | O3 | 92.8° | 142.6° |
| O1 | C5 | C4 | H2 | 46.9° | 170.4° |
| O1 | C5 | C4 | H3 | 72.1° | 50.4° |
| C5 | O1 | C6 | H5 | 92.3° | 78.3° |
| O1 | C5 | C8 | H8 | 142.8° | 94.7° |
| C6 | O1 | C5 | C4 | 124.6° | 159.4° |
| O1 | C6 | N2 | C7 | 119.6° | 115.4° |
| O1 | C6 | N2 | H5 | 118.9° | 122.4° |
| C6 | O1 | C5 | C8 | 1.4° | 40.5° |
| O1 | C6 | C7 | H5 | 116.7° | 118.9° |
| O1 | C6 | C7 | C8 | 38.0° | 24.0° |
| O1 | C6 | C7 | O2 | 156.6° | 142.6° |
| C6 | O1 | C5 | H4 | 117.3° | 78.3° |
| O1 | C6 | C7 | H7 | 78.4° | 94.6° |
| C3 | N1 | C4 | H6 | 180.0° | 179.9° |
| C3 | N1 | C4 | C5 | 83.5° | 180.0° |
| N1 | C3 | C2 | C1 | 70.7° | 180.0° |
| C3 | N1 | C4 | H2 | 37.0° | 60.1° |
| C3 | N1 | C4 | H3 | 155.9° | 59.9° |
| N1 | C3 | C2 | H25 | 49.9° | 60.0° |
| N1 | C3 | C2 | H26 | 168.7° | 60.0° |
| C2 | C3 | N1 | C4 | 175.7° | 180.0° |
| C3 | C2 | C1 | H25 | 120.6° | 120.0° |
| C3 | C2 | C1 | H26 | 120.6° | 120.0° |
| C3 | C2 | C1 | C | 84.4° | 180.0° |
| C2 | C3 | N1 | H6 | 4.3° | 0.1° |
| C3 | C2 | C1 | H17 | 155.1° | 60.0° |
| C3 | C2 | C1 | H18 | 36.1° | 60.0° |
| C3 | C2 | H25 | H26 | 118.2° | 120.0° |
| N1 | C4 | C5 | H2 | 120.5° | 120.0° |
| N1 | C4 | C5 | H3 | 120.5° | 120.0° |
| N1 | C4 | C5 | C8 | 72.4° | 175.0° |
| N1 | C4 | H2 | H3 | 118.4° | 120.0° |
| N1 | C4 | C5 | H4 | 48.8° | 52.7° |
| C4 | C5 | C8 | H4 | 121.3° | 122.2° |
| C4 | C5 | C8 | C7 | 96.9° | 142.8° |
| C4 | C5 | C8 | O3 | 145.1° | 98.5° |
| C5 | C4 | H2 | H3 | 118.4° | 120.0° |
| C5 | C4 | N1 | H6 | 96.5° | 0.1° |
| C4 | C5 | C8 | H8 | 20.6° | 24.2° |
| N2 | C6 | C7 | H5 | 122.0° | 122.2° |
| N2 | C6 | C7 | C8 | 159.4° | 142.9° |
| N2 | C6 | C7 | O2 | 82.1° | 98.4° |
| N2 | C6 | C7 | H7 | 43.0° | 24.3° |
| C2 | C1 | C | H17 | 120.5° | 120.0° |
| C2 | C1 | C | H18 | 120.5° | 120.0° |
| C2 | C1 | C | N | 177.5° | 180.0° |
| C2 | C1 | C | H15 | 57.1° | 60.0° |
| C2 | C1 | C | H16 | 62.0° | 60.0° |
| C2 | C1 | H17 | H18 | 118.3° | 120.0° |
| C1 | C2 | H25 | H26 | 118.1° | 120.0° |
| C5 | C8 | C7 | C6 | 37.4° | 0.0° |
| C5 | C8 | C7 | O3 | 118.1° | 118.6° |
| C5 | C8 | C7 | H8 | 117.5° | 118.7° |
| C5 | C8 | C7 | O2 | 155.3° | 118.7° |
| C5 | C8 | O3 | H8 | 123.6° | 122.7° |
| C5 | C8 | O3 | H1 | 180.0° | 179.9° |
| C8 | C5 | C4 | H2 | 167.0° | 55.0° |
| C8 | C5 | C4 | H3 | 48.1° | 65.0° |
| C5 | C8 | C7 | H7 | 79.0° | 118.7° |
| C6 | C7 | C8 | O2 | 118.0° | 118.7° |
| C6 | C7 | C8 | H7 | 116.4° | 118.6° |
| C6 | C7 | O2 | H7 | 124.2° | 122.7° |
| C6 | C7 | C8 | O3 | 80.7° | 118.6° |
| C6 | C7 | C8 | H8 | 154.9° | 118.6° |
| C6 | C7 | O2 | H35 | 180.0° | 180.0° |
| C8 | C7 | O2 | H7 | 124.7° | 122.6° |
| C7 | C8 | O3 | H8 | 123.5° | 122.7° |
| C7 | C8 | O3 | H1 | 67.0° | 65.3° |
| C7 | C8 | C5 | H4 | 141.8° | 94.9° |
| C8 | C7 | C6 | H5 | 78.6° | 94.9° |
| C8 | C7 | O2 | H35 | 68.9° | 65.3° |
| O2 | C7 | C8 | O3 | 37.3° | 0.0° |
| O2 | C7 | C6 | H5 | 39.9° | 23.8° |
| O2 | C7 | C8 | H8 | 87.2° | 122.7° |
| C1 | C | N | H15 | 120.5° | 120.0° |
| C1 | C | N | H16 | 120.5° | 119.9° |
| C1 | C | N | H12 | 180.0° | 180.0° |
| C1 | C | N | H13 | 60.0° | 56.1° |
| C1 | C | H15 | H16 | 118.6° | 120.0° |
| C | C1 | H17 | H18 | 118.4° | 120.0° |
| C | C1 | C2 | H25 | 36.2° | 60.0° |
| C | C1 | C2 | H26 | 155.0° | 60.0° |
| O3 | C8 | C5 | H4 | 23.8° | 23.7° |
| O3 | C8 | C7 | H7 | 162.9° | 122.7° |
| C | N | H12 | H13 | 120.0° | 124.0° |
| N | C | H15 | H16 | 118.6° | 120.0° |
| N | C | C1 | H17 | 61.9° | 60.0° |
| N | C | C1 | H18 | 57.0° | 60.0° |
| H1 | O3 | C8 | H8 | 56.5° | 57.4° |
| H2 | C4 | C5 | H4 | 71.8° | 67.2° |
| H2 | C4 | N1 | H6 | 143.0° | 120.0° |
| H3 | C4 | C5 | H4 | 169.3° | 172.8° |
| H3 | C4 | N1 | H6 | 24.0° | 120.0° |
| H4 | C5 | C8 | H8 | 100.7° | 146.4° |
| H5 | C6 | C7 | H7 | 164.9° | 146.5° |
| H7 | C7 | C8 | H8 | 38.5° | 0.0° |
| H7 | C7 | O2 | H35 | 55.8° | 57.3° |
| H9 | O6 | C20 | H27 | 57.0° | 61.2° |
| H11 | O7 | C21 | H28 | 57.0° | 61.1° |
| H12 | N | C | H15 | 59.6° | 60.0° |
| H12 | N | C | H16 | 59.5° | 60.1° |
| H13 | N | C | H15 | 179.5° | 63.9° |
| H13 | N | C | H16 | 60.5° | 176.0° |
| H15 | C | C1 | H17 | 177.6° | 180.0° |
| H15 | C | C1 | H18 | 63.4° | 60.0° |
| H16 | C | C1 | H17 | 58.5° | 59.9° |
| H16 | C | C1 | H18 | 177.5° | 180.0° |
| H17 | C1 | C2 | H25 | 84.3° | 180.0° |
| H17 | C1 | C2 | H26 | 34.5° | 60.0° |
| H18 | C1 | C2 | H25 | 156.7° | 60.0° |
| H18 | C1 | C2 | H26 | 84.5° | 180.0° |
| H21 | C17 | C18 | H23 | 64.2° | 175.8° |
| H22 | C17 | C18 | H23 | 175.9° | 64.1° |
| H23 | C18 | C21 | H28 | 164.1° | 146.4° |
| H24 | C19 | C20 | H27 | 128.4° | 146.5° |
| H27 | C20 | C21 | H28 | 20.3° | 0.1° |
