H9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | N6 | doub | 1.32Å | 1.36Å | Aromatic |
| C11 | N7 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | N8 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | N9 | sing | 1.47Å | 1.51Å | |
| C14 | N10 | sing | 1.47Å | 1.50Å | |
| C15 | N9 | sing | 1.47Å | 1.44Å | |
| C15 | C21 | sing | 1.53Å | 1.49Å | |
| C16 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | N10 | sing | 1.38Å | 1.52Å | |
| C16 | C17 | doub | 1.41Å | 1.44Å | Aromatic |
| N7 | C18 | doub | 1.33Å | 1.38Å | Aromatic |
| N8 | C17 | sing | 1.36Å | 1.38Å | Aromatic |
| O5 | C19 | sing | 1.43Å | 1.51Å | |
| O6 | C20 | sing | 1.43Å | 1.52Å | |
| O7 | C21 | sing | 1.44Å | 1.33Å | |
| O7 | C22 | sing | 1.44Å | 1.48Å | |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C18 | N11 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.54Å | 1.25Å | |
| C19 | C21 | sing | 1.55Å | 1.63Å | |
| C20 | C22 | sing | 1.54Å | 1.58Å | |
| C22 | N5 | sing | 1.47Å | 1.38Å | |
| N11 | C5 | sing | 1.47Å | 1.44Å | |
| C10 | O4 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.44Å | 1.45Å | |
| C9 | C8 | sing | 1.55Å | 1.52Å | |
| O3 | C5 | sing | 1.44Å | 1.41Å | |
| C8 | O2 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.54Å | 1.53Å | |
| C7 | O1 | sing | 1.43Å | 1.43Å | |
| C7 | C5 | sing | 1.54Å | 1.53Å | |
| N1 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C1 | doub | 1.33Å | 1.35Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C1 | N5 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.44Å | Aromatic |
| C2 | N4 | sing | 1.35Å | 1.37Å | Aromatic |
| C3 | N3 | sing | 1.38Å | 1.49Å | |
| N4 | C4 | doub | 1.30Å | 1.35Å | Aromatic |
| C4 | N5 | sing | 1.36Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N9 | H23 | sing | 1.01Å | 1.00Å | |
| N10 | H25 | sing | 0.97Å | 1.00Å | |
| O1 | H26 | sing | 0.97Å | 0.95Å | |
| O2 | H27 | sing | 0.97Å | 0.95Å | |
| O4 | H28 | sing | 0.97Å | 0.95Å | |
| O5 | H29 | sing | 0.97Å | 0.95Å | |
| O6 | H30 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C11 | N7 | 122.6° | 122.5° |
| C11 | N6 | C16 | 119.3° | 121.2° |
| N6 | C11 | H9 | 118.7° | 118.8° |
| C11 | N7 | C18 | 121.4° | 120.6° |
| N7 | C11 | H9 | 118.7° | 118.7° |
| N8 | C12 | N11 | 110.4° | 109.9° |
| C12 | N8 | C17 | 108.5° | 109.5° |
| N8 | C12 | H10 | 124.8° | 125.0° |
| C12 | N11 | C18 | 106.9° | 107.5° |
| C12 | N11 | C5 | 125.6° | 126.3° |
| N11 | C12 | H10 | 124.8° | 125.0° |
| C14 | C13 | N9 | 107.6° | 109.4° |
| C13 | C14 | N10 | 107.7° | 109.4° |
| C14 | C13 | H11 | 109.9° | 109.5° |
| C14 | C13 | H12 | 109.9° | 109.5° |
| C13 | C14 | H13 | 109.9° | 109.5° |
| C13 | C14 | H14 | 109.9° | 109.5° |
| C13 | N9 | C15 | 109.9° | 111.0° |
| N9 | C13 | H11 | 110.0° | 109.5° |
| N9 | C13 | H12 | 109.9° | 109.5° |
| C13 | N9 | H23 | 109.4° | 111.0° |
| C14 | N10 | C16 | 121.2° | 119.9° |
| N10 | C14 | H13 | 109.9° | 109.5° |
| N10 | C14 | H14 | 109.9° | 109.4° |
| C14 | N10 | H25 | 106.5° | 120.0° |
| N9 | C15 | C21 | 107.0° | 109.4° |
| N9 | C15 | H15 | 110.1° | 109.5° |
| N9 | C15 | H16 | 110.1° | 109.5° |
| C15 | N9 | H23 | 109.4° | 111.0° |
| C15 | C21 | O7 | 111.2° | 110.4° |
| C15 | C21 | C19 | 111.5° | 110.4° |
| C21 | C15 | H15 | 110.1° | 109.5° |
| C21 | C15 | H16 | 110.1° | 109.5° |
| C15 | C21 | H19 | 109.1° | 110.3° |
| N6 | C16 | N10 | 120.3° | 120.8° |
| N6 | C16 | C17 | 119.9° | 118.4° |
| N10 | C16 | C17 | 119.8° | 120.8° |
| C16 | N10 | H25 | 106.5° | 120.1° |
| C16 | C17 | N8 | 134.2° | 134.7° |
| C16 | C17 | C18 | 118.9° | 118.2° |
| N7 | C18 | C17 | 117.8° | 119.1° |
| N7 | C18 | N11 | 134.9° | 134.9° |
| N8 | C17 | C18 | 106.9° | 107.1° |
| O5 | C19 | C20 | 110.9° | 110.5° |
| O5 | C19 | C21 | 106.8° | 110.5° |
| O5 | C19 | H17 | 110.5° | 110.6° |
| C19 | O5 | H29 | 109.5° | 113.9° |
| O6 | C20 | C19 | 115.0° | 110.5° |
| O6 | C20 | C22 | 104.4° | 110.5° |
| O6 | C20 | H18 | 110.2° | 110.6° |
| C20 | O6 | H30 | 109.5° | 114.0° |
| C21 | O7 | C22 | 106.5° | 105.3° |
| O7 | C21 | C19 | 106.1° | 104.8° |
| O7 | C21 | H19 | 111.6° | 110.5° |
| O7 | C22 | C20 | 100.4° | 104.8° |
| O7 | C22 | N5 | 109.0° | 110.4° |
| O7 | C22 | H20 | 111.2° | 110.5° |
| C17 | C18 | N11 | 107.3° | 106.0° |
| C18 | N11 | C5 | 127.5° | 126.3° |
| C20 | C19 | C21 | 104.3° | 104.1° |
| C19 | C20 | C22 | 102.2° | 104.1° |
| C20 | C19 | H17 | 114.9° | 110.5° |
| C19 | C20 | H18 | 114.8° | 110.5° |
| C21 | C19 | H17 | 108.9° | 110.4° |
| C19 | C21 | H19 | 107.4° | 110.4° |
| C20 | C22 | N5 | 113.2° | 110.4° |
| C22 | C20 | H18 | 109.3° | 110.5° |
| C20 | C22 | H20 | 109.7° | 110.4° |
| C22 | N5 | C1 | 123.9° | 126.3° |
| C22 | N5 | C4 | 127.3° | 126.3° |
| N5 | C22 | H20 | 112.8° | 110.3° |
| N11 | C5 | O3 | 111.6° | 110.4° |
| N11 | C5 | C7 | 109.7° | 110.4° |
| N11 | C5 | H2 | 109.5° | 110.3° |
| O4 | C10 | C9 | 110.4° | 109.4° |
| O4 | C10 | H7 | 109.3° | 109.5° |
| O4 | C10 | H8 | 109.2° | 109.4° |
| C10 | O4 | H28 | 109.5° | 114.0° |
| C10 | C9 | O3 | 107.7° | 110.4° |
| C10 | C9 | C8 | 117.2° | 110.4° |
| C10 | C9 | H6 | 108.9° | 110.4° |
| C9 | C10 | H7 | 109.2° | 109.5° |
| C9 | C10 | H8 | 109.2° | 109.4° |
| O3 | C9 | C8 | 104.4° | 104.8° |
| C9 | O3 | C5 | 109.3° | 105.3° |
| O3 | C9 | H6 | 109.7° | 110.4° |
| C9 | C8 | O2 | 109.7° | 110.5° |
| C9 | C8 | C7 | 104.6° | 104.1° |
| C9 | C8 | H5 | 110.4° | 110.6° |
| C8 | C9 | H6 | 108.8° | 110.4° |
| O3 | C5 | C7 | 107.7° | 104.8° |
| O3 | C5 | H2 | 110.0° | 110.4° |
| O2 | C8 | C7 | 109.7° | 110.5° |
| O2 | C8 | H5 | 111.9° | 110.4° |
| C8 | O2 | H27 | 109.5° | 114.0° |
| C8 | C7 | O1 | 116.0° | 110.5° |
| C8 | C7 | C5 | 104.1° | 104.1° |
| C8 | C7 | H4 | 107.6° | 110.6° |
| C7 | C8 | H5 | 110.2° | 110.6° |
| O1 | C7 | C5 | 112.3° | 110.5° |
| O1 | C7 | H4 | 108.9° | 110.4° |
| C7 | O1 | H26 | 109.5° | 114.0° |
| C7 | C5 | H2 | 108.2° | 110.4° |
| C5 | C7 | H4 | 107.5° | 110.5° |
| C6 | N1 | C3 | 121.1° | 121.2° |
| N1 | C6 | N2 | 121.3° | 122.5° |
| N1 | C6 | H3 | 119.3° | 118.8° |
| N1 | C3 | C2 | 119.6° | 118.5° |
| N1 | C3 | N3 | 117.7° | 120.7° |
| C6 | N2 | C1 | 120.9° | 120.6° |
| N2 | C6 | H3 | 119.3° | 118.8° |
| N2 | C1 | C2 | 120.1° | 119.1° |
| N2 | C1 | N5 | 132.8° | 134.9° |
| C2 | C1 | N5 | 107.1° | 106.0° |
| C1 | C2 | C3 | 117.0° | 118.1° |
| C1 | C2 | N4 | 106.3° | 107.1° |
| C1 | N5 | C4 | 108.8° | 107.4° |
| C3 | C2 | N4 | 136.7° | 134.7° |
| C2 | C3 | N3 | 122.7° | 120.8° |
| C2 | N4 | C4 | 109.1° | 109.5° |
| C3 | N3 | H21 | 109.5° | 120.0° |
| C3 | N3 | H22 | 109.4° | 119.9° |
| N4 | C4 | N5 | 108.6° | 110.0° |
| N4 | C4 | H1 | 125.7° | 125.0° |
| N5 | C4 | H1 | 125.7° | 125.0° |
| H7 | C10 | H8 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H21 | N3 | H22 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C11 | N7 | H9 | 180.0° | 179.7° |
| C11 | N6 | C16 | N10 | 180.0° | 180.0° |
| C11 | N6 | C16 | C17 | 0.0° | 0.1° |
| N6 | C11 | N7 | C18 | 0.1° | 0.0° |
| N7 | C11 | N6 | C16 | 0.1° | 0.0° |
| C11 | N7 | C18 | C17 | 0.2° | 0.1° |
| C11 | N7 | C18 | N11 | 179.6° | 180.0° |
| N8 | C12 | N11 | H10 | 180.0° | 179.9° |
| C12 | N8 | C17 | C16 | 179.9° | 180.0° |
| C12 | N8 | C17 | C18 | 0.3° | 0.1° |
| N8 | C12 | N11 | C18 | 0.5° | 0.0° |
| N8 | C12 | N11 | C5 | 178.3° | 179.9° |
| C12 | N11 | C18 | N7 | 179.9° | 179.9° |
| N11 | C12 | N8 | C17 | 0.5° | 0.1° |
| C12 | N11 | C18 | C17 | 0.3° | 0.0° |
| C12 | N11 | C18 | C5 | 178.7° | 179.9° |
| C12 | N11 | C5 | O3 | 106.5° | 15.5° |
| C12 | N11 | C5 | C7 | 134.2° | 99.9° |
| C12 | N11 | C5 | H2 | 15.5° | 137.8° |
| C14 | C13 | N9 | H11 | 119.7° | 120.0° |
| C14 | C13 | N9 | H12 | 119.7° | 120.0° |
| C13 | C14 | N10 | H13 | 119.7° | 120.0° |
| C13 | C14 | N10 | H14 | 119.7° | 120.0° |
| C14 | C13 | N9 | C15 | 139.4° | 180.0° |
| C13 | C14 | N10 | C16 | 104.2° | 180.0° |
| C14 | C13 | H11 | H12 | 120.9° | 120.0° |
| C13 | C14 | H13 | H14 | 120.8° | 120.1° |
| C14 | C13 | N9 | H23 | 19.3° | 56.1° |
| C13 | C14 | N10 | H25 | 17.5° | 0.0° |
| N9 | C13 | C14 | N10 | 98.2° | 180.0° |
| C13 | N9 | C15 | H23 | 120.1° | 123.9° |
| C13 | N9 | C15 | C21 | 169.3° | 180.0° |
| N9 | C13 | H11 | H12 | 120.9° | 120.0° |
| N9 | C13 | C14 | H13 | 142.1° | 60.0° |
| N9 | C13 | C14 | H14 | 21.5° | 60.1° |
| C13 | N9 | C15 | H15 | 71.1° | 60.0° |
| C13 | N9 | C15 | H16 | 49.7° | 60.0° |
| C14 | N10 | C16 | N6 | 42.2° | 0.0° |
| C14 | N10 | C16 | H25 | 121.6° | 180.0° |
| C14 | N10 | C16 | C17 | 137.8° | 180.0° |
| N10 | C14 | C13 | H11 | 142.1° | 60.0° |
| N10 | C14 | C13 | H12 | 21.5° | 60.0° |
| N10 | C14 | H13 | H14 | 120.8° | 120.0° |
| N9 | C15 | C21 | H15 | 119.6° | 120.0° |
| N9 | C15 | C21 | H16 | 119.6° | 120.0° |
| N9 | C15 | C21 | O7 | 150.2° | 69.6° |
| N9 | C15 | C21 | C19 | 91.7° | 175.0° |
| C15 | N9 | C13 | H11 | 100.9° | 60.0° |
| C15 | N9 | C13 | H12 | 19.7° | 60.0° |
| N9 | C15 | H15 | H16 | 121.2° | 120.0° |
| N9 | C15 | C21 | H19 | 26.8° | 52.8° |
| C15 | C21 | C19 | O5 | 143.1° | 98.5° |
| C15 | C21 | O7 | C19 | 121.4° | 118.8° |
| C15 | C21 | O7 | H19 | 122.0° | 122.3° |
| C15 | C21 | O7 | C22 | 130.7° | 159.3° |
| C15 | C21 | C19 | C20 | 99.4° | 142.8° |
| C15 | C21 | C19 | H19 | 119.4° | 122.2° |
| C21 | C15 | H15 | H16 | 121.1° | 120.0° |
| C15 | C21 | C19 | H17 | 23.8° | 24.2° |
| C21 | C15 | N9 | H23 | 49.2° | 56.1° |
| N6 | C16 | N10 | C17 | 180.0° | 179.9° |
| N6 | C16 | C17 | N8 | 179.6° | 179.9° |
| N6 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | N6 | C11 | H9 | 179.9° | 179.7° |
| N6 | C16 | N10 | H25 | 79.4° | 180.0° |
| N10 | C16 | C17 | N8 | 0.4° | 0.1° |
| N10 | C16 | C17 | C18 | 179.9° | 180.0° |
| C16 | N10 | C14 | H13 | 136.1° | 60.0° |
| C16 | N10 | C14 | H14 | 15.5° | 60.0° |
| C16 | C17 | C18 | N7 | 0.1° | 0.0° |
| C16 | C17 | N8 | C18 | 179.6° | 179.9° |
| C16 | C17 | C18 | N11 | 179.7° | 180.0° |
| C17 | C16 | N10 | H25 | 100.6° | 0.1° |
| N7 | C18 | C17 | N8 | 179.8° | 179.9° |
| N7 | C18 | C17 | N11 | 179.8° | 180.0° |
| N7 | C18 | N11 | C5 | 1.3° | 0.0° |
| C18 | N7 | C11 | H9 | 179.8° | 179.7° |
| N8 | C17 | C18 | N11 | 0.0° | 0.1° |
| C17 | N8 | C12 | H10 | 179.5° | 180.0° |
| O5 | C19 | C20 | O6 | 37.0° | 0.0° |
| O5 | C19 | C21 | O7 | 95.8° | 142.6° |
| O5 | C19 | C20 | C21 | 114.6° | 118.6° |
| O5 | C19 | C20 | H17 | 126.2° | 122.8° |
| O5 | C19 | C21 | H17 | 119.3° | 122.7° |
| O5 | C19 | C20 | C22 | 75.3° | 118.6° |
| O5 | C19 | C20 | H18 | 166.5° | 122.8° |
| O5 | C19 | C21 | H19 | 23.7° | 23.7° |
| O6 | C20 | C22 | O7 | 166.0° | 142.6° |
| O6 | C20 | C19 | C22 | 112.4° | 118.7° |
| O6 | C20 | C19 | H18 | 129.4° | 122.8° |
| O6 | C20 | C19 | C21 | 151.7° | 118.7° |
| O6 | C20 | C22 | H18 | 117.9° | 122.7° |
| O6 | C20 | C22 | N5 | 78.0° | 98.5° |
| O6 | C20 | C19 | H17 | 89.2° | 122.8° |
| O6 | C20 | C22 | H20 | 48.9° | 23.7° |
| O7 | C21 | C19 | C20 | 21.8° | 23.9° |
| O7 | C21 | C19 | H19 | 119.4° | 118.9° |
| C21 | O7 | C22 | C20 | 30.8° | 40.5° |
| C21 | O7 | C22 | N5 | 149.9° | 159.3° |
| O7 | C21 | C15 | H15 | 30.6° | 170.4° |
| O7 | C21 | C15 | H16 | 90.2° | 50.3° |
| O7 | C21 | C19 | H17 | 144.9° | 94.7° |
| C21 | O7 | C22 | H20 | 85.2° | 78.4° |
| O7 | C22 | C20 | C19 | 45.9° | 24.0° |
| C22 | O7 | C21 | C19 | 9.4° | 40.5° |
| O7 | C22 | C20 | N5 | 116.0° | 118.9° |
| O7 | C22 | C20 | H20 | 117.1° | 119.0° |
| O7 | C22 | N5 | H20 | 123.9° | 122.4° |
| O7 | C22 | N5 | C1 | 88.9° | 159.6° |
| O7 | C22 | N5 | C4 | 88.8° | 20.3° |
| O7 | C22 | C20 | H18 | 76.1° | 94.6° |
| C22 | O7 | C21 | H19 | 107.3° | 78.4° |
| C17 | C18 | N11 | C5 | 178.5° | 179.9° |
| C18 | N11 | C5 | O3 | 72.0° | 164.6° |
| C18 | N11 | C5 | C7 | 47.3° | 80.0° |
| C18 | N11 | C5 | H2 | 166.0° | 42.3° |
| C18 | N11 | C12 | H10 | 179.5° | 179.9° |
| C20 | C19 | C21 | H17 | 123.2° | 118.6° |
| C19 | C20 | C22 | H18 | 122.0° | 118.6° |
| C19 | C20 | C22 | N5 | 161.9° | 142.8° |
| C20 | C19 | C21 | H19 | 141.2° | 95.0° |
| C19 | C20 | C22 | H20 | 71.2° | 95.0° |
| C20 | C19 | O5 | H29 | 180.0° | 61.5° |
| C19 | C20 | O6 | H30 | 180.0° | 61.5° |
| C21 | C19 | C20 | C22 | 39.3° | 0.0° |
| C19 | C21 | C15 | H15 | 148.7° | 55.0° |
| C19 | C21 | C15 | H16 | 27.9° | 65.0° |
| C21 | C19 | C20 | H18 | 78.9° | 118.6° |
| C21 | C19 | O5 | H29 | 67.0° | 176.1° |
| C20 | C22 | N5 | H20 | 125.3° | 122.2° |
| C20 | C22 | N5 | C1 | 160.3° | 85.0° |
| C20 | C22 | N5 | C4 | 21.9° | 95.1° |
| C22 | C20 | C19 | H17 | 158.4° | 118.6° |
| C22 | C20 | O6 | H30 | 68.9° | 176.1° |
| C22 | N5 | C1 | N2 | 2.7° | 0.1° |
| C22 | N5 | C1 | C2 | 178.8° | 180.0° |
| C22 | N5 | C1 | C4 | 178.1° | 179.9° |
| C22 | N5 | C4 | N4 | 178.7° | 180.0° |
| C22 | N5 | C4 | H1 | 1.3° | 0.0° |
| N5 | C22 | C20 | H18 | 39.9° | 24.2° |
| N11 | C5 | O3 | C9 | 99.2° | 78.4° |
| N11 | C5 | O3 | C7 | 120.5° | 118.9° |
| N11 | C5 | O3 | H2 | 121.7° | 122.2° |
| N11 | C5 | C7 | C8 | 119.6° | 95.0° |
| N11 | C5 | C7 | O1 | 114.1° | 146.4° |
| N11 | C5 | C7 | H2 | 119.4° | 122.2° |
| N11 | C5 | C7 | H4 | 5.7° | 23.9° |
| C5 | N11 | C12 | H10 | 1.7° | 0.0° |
| O4 | C10 | C9 | H7 | 120.2° | 120.0° |
| O4 | C10 | C9 | H8 | 120.1° | 119.9° |
| O4 | C10 | C9 | O3 | 29.2° | 66.5° |
| O4 | C10 | C9 | C8 | 87.9° | 178.1° |
| O4 | C10 | C9 | H6 | 148.1° | 55.8° |
| O4 | C10 | H7 | H8 | 119.6° | 120.0° |
| C10 | C9 | O3 | C8 | 125.2° | 118.8° |
| C10 | C9 | O3 | H6 | 118.4° | 122.4° |
| C10 | C9 | C8 | H6 | 124.0° | 122.4° |
| C10 | C9 | O3 | C5 | 157.1° | 159.3° |
| C10 | C9 | C8 | O2 | 30.4° | 24.1° |
| C10 | C9 | C8 | C7 | 148.0° | 142.8° |
| C10 | C9 | C8 | H5 | 93.4° | 98.5° |
| C9 | C10 | H7 | H8 | 119.5° | 120.0° |
| C9 | C10 | O4 | H28 | 180.0° | 180.0° |
| O3 | C9 | C8 | H6 | 117.1° | 118.8° |
| O3 | C9 | C8 | O2 | 88.6° | 94.7° |
| O3 | C9 | C8 | C7 | 29.1° | 24.0° |
| C9 | O3 | C5 | C7 | 21.3° | 40.5° |
| C9 | O3 | C5 | H2 | 139.1° | 159.4° |
| O3 | C9 | C8 | H5 | 147.7° | 142.7° |
| O3 | C9 | C10 | H7 | 91.0° | 53.6° |
| O3 | C9 | C10 | H8 | 149.3° | 173.6° |
| C8 | C9 | O3 | C5 | 31.9° | 40.5° |
| C9 | C8 | O2 | C7 | 114.4° | 114.6° |
| C9 | C8 | O2 | H5 | 122.9° | 122.7° |
| C9 | C8 | C7 | H5 | 118.7° | 118.8° |
| C9 | C8 | C7 | O1 | 140.5° | 118.7° |
| C9 | C8 | C7 | C5 | 16.5° | 0.0° |
| C9 | C8 | C7 | H4 | 97.4° | 118.7° |
| C8 | C9 | C10 | H7 | 151.9° | 61.8° |
| C8 | C9 | C10 | H8 | 32.2° | 58.2° |
| C9 | C8 | O2 | H27 | 180.0° | 65.3° |
| O3 | C5 | C7 | C8 | 2.1° | 24.0° |
| O3 | C5 | C7 | O1 | 124.2° | 94.7° |
| O3 | C5 | C7 | H2 | 118.9° | 118.8° |
| O3 | C5 | C7 | H4 | 116.0° | 142.8° |
| C5 | O3 | C9 | H6 | 84.6° | 78.3° |
| O2 | C8 | C7 | H5 | 123.6° | 122.6° |
| O2 | C8 | C7 | O1 | 22.9° | 0.0° |
| O2 | C8 | C7 | C5 | 101.1° | 118.6° |
| O2 | C8 | C7 | H4 | 145.0° | 122.6° |
| O2 | C8 | C9 | H6 | 154.4° | 146.5° |
| C8 | C7 | O1 | C5 | 119.6° | 114.7° |
| C8 | C7 | O1 | H4 | 121.4° | 122.7° |
| C8 | C7 | C5 | H4 | 114.0° | 118.8° |
| C8 | C7 | C5 | H2 | 121.0° | 142.8° |
| C7 | C8 | C9 | H6 | 88.0° | 94.9° |
| C8 | C7 | O1 | H26 | 180.0° | 65.3° |
| C7 | C8 | O2 | H27 | 65.6° | 180.0° |
| O1 | C7 | C5 | H4 | 119.7° | 122.5° |
| O1 | C7 | C5 | H2 | 5.4° | 24.1° |
| O1 | C7 | C8 | H5 | 100.8° | 122.6° |
| C5 | C7 | C8 | H5 | 135.3° | 118.8° |
| C5 | C7 | O1 | H26 | 60.4° | 180.0° |
| N1 | C6 | N2 | H3 | 180.0° | 179.9° |
| N1 | C6 | N2 | C1 | 0.1° | 0.1° |
| C6 | N1 | C3 | C2 | 0.5° | 0.0° |
| C6 | N1 | C3 | N3 | 179.9° | 180.0° |
| C3 | N1 | C6 | N2 | 0.6° | 0.1° |
| N1 | C3 | C2 | C1 | 0.1° | 0.0° |
| N1 | C3 | C2 | N3 | 179.5° | 180.0° |
| N1 | C3 | C2 | N4 | 179.7° | 180.0° |
| C3 | N1 | C6 | H3 | 179.4° | 180.0° |
| N1 | C3 | N3 | H21 | 0.0° | 0.0° |
| N1 | C3 | N3 | H22 | 120.0° | 180.0° |
| C6 | N2 | C1 | C2 | 0.5° | 0.1° |
| C6 | N2 | C1 | N5 | 178.8° | 179.9° |
| N2 | C1 | C2 | N5 | 178.7° | 180.0° |
| N2 | C1 | C2 | C3 | 0.6° | 0.0° |
| N2 | C1 | C2 | N4 | 179.3° | 180.0° |
| N2 | C1 | N5 | C4 | 179.2° | 180.0° |
| C1 | N2 | C6 | H3 | 179.9° | 180.0° |
| C1 | C2 | C3 | N4 | 179.8° | 180.0° |
| C1 | C2 | C3 | N3 | 179.5° | 180.0° |
| C1 | C2 | N4 | C4 | 0.1° | 0.0° |
| C2 | C1 | N5 | C4 | 0.7° | 0.0° |
| N5 | C1 | C2 | C3 | 179.3° | 180.0° |
| N5 | C1 | C2 | N4 | 0.5° | 0.0° |
| C1 | N5 | C4 | N4 | 0.7° | 0.0° |
| C1 | N5 | C4 | H1 | 179.3° | 180.0° |
| C1 | N5 | C22 | H20 | 35.0° | 37.2° |
| C3 | C2 | N4 | C4 | 179.6° | 180.0° |
| C2 | C3 | N3 | H21 | 179.5° | 180.0° |
| C2 | C3 | N3 | H22 | 59.5° | 0.0° |
| N4 | C2 | C3 | N3 | 0.8° | 0.0° |
| C2 | N4 | C4 | N5 | 0.3° | 0.0° |
| C2 | N4 | C4 | H1 | 179.7° | 180.0° |
| C3 | N3 | H21 | H22 | 120.0° | 179.9° |
| N4 | C4 | N5 | H1 | 180.0° | 180.0° |
| C4 | N5 | C22 | H20 | 147.2° | 142.7° |
| H2 | C5 | C7 | H4 | 125.1° | 98.4° |
| H4 | C7 | C8 | H5 | 21.4° | 0.0° |
| H4 | C7 | O1 | H26 | 58.6° | 57.4° |
| H5 | C8 | C9 | H6 | 30.6° | 23.9° |
| H5 | C8 | O2 | H27 | 57.1° | 57.3° |
| H6 | C9 | C10 | H7 | 27.9° | 175.9° |
| H6 | C9 | C10 | H8 | 91.8° | 64.1° |
| H7 | C10 | O4 | H28 | 59.9° | 60.0° |
| H8 | C10 | O4 | H28 | 59.9° | 60.1° |
| H11 | C13 | C14 | H13 | 22.3° | 60.0° |
| H11 | C13 | C14 | H14 | 98.2° | 180.0° |
| H11 | C13 | N9 | H23 | 139.0° | 176.0° |
| H12 | C13 | C14 | H13 | 98.3° | NaN° |
| H12 | C13 | C14 | H14 | 141.2° | 60.0° |
| H12 | C13 | N9 | H23 | 100.4° | 64.0° |
| H13 | C14 | N10 | H25 | 102.2° | 120.0° |
| H14 | C14 | N10 | H25 | 137.2° | 120.0° |
| H15 | C15 | C21 | H19 | 92.8° | 67.2° |
| H15 | C15 | N9 | H23 | 168.8° | 63.9° |
| H16 | C15 | C21 | H19 | 146.4° | 172.7° |
| H16 | C15 | N9 | H23 | 70.4° | 176.1° |
| H17 | C19 | C20 | H18 | 40.2° | 0.0° |
| H17 | C19 | C21 | H19 | 95.7° | 146.4° |
| H17 | C19 | O5 | H29 | 51.3° | 61.2° |
| H18 | C20 | C22 | H20 | 166.8° | 146.4° |
| H18 | C20 | O6 | H30 | 48.3° | 61.2° |
