HDG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C29 | sing | 1.38Å | 1.34Å | |
| C29 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.41Å | Aromatic |
| N7 | C30 | sing | 1.35Å | 1.39Å | Aromatic |
| N7 | C31 | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C28 | sing | 1.32Å | 1.34Å | Aromatic |
| C30 | C27 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | N3 | sing | 1.36Å | 1.37Å | Aromatic |
| C28 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C27 | N3 | sing | 1.37Å | 1.38Å | Aromatic |
| C27 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C26 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.60Å | |
| C7 | N | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C26 | C | sing | 1.54Å | 1.52Å | |
| C26 | O4 | sing | 1.44Å | 1.41Å | |
| C | O | sing | 1.43Å | 1.42Å | |
| C | C1 | sing | 1.54Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| O4 | C2 | sing | 1.44Å | 1.44Å | |
| N1 | C8 | sing | 1.35Å | 1.32Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| C8 | O3 | doub | 1.21Å | 1.22Å | |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.54Å | 1.53Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C18 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N2 | sing | 1.47Å | 1.47Å | |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C19 | sing | 1.47Å | 1.48Å | |
| C14 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O2 | sing | 1.36Å | 1.37Å | |
| C15 | O2 | sing | 1.43Å | 1.43Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.37Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| C12 | H21 | sing | 1.08Å | 1.08Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| N | H23 | sing | 1.01Å | 1.00Å | |
| N | H24 | sing | 1.01Å | 1.00Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 1.01Å | 1.00Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| O1 | H37 | sing | 0.97Å | 0.95Å | |
| C26 | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| O | H40 | sing | 0.97Å | 0.95Å | |
| C31 | H41 | sing | 1.08Å | 1.08Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å | |
| N6 | H43 | sing | 0.97Å | 1.00Å | |
| C28 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C29 | N5 | 118.5° | 120.8° |
| N6 | C29 | C30 | 123.6° | 120.7° |
| C29 | N6 | H42 | 109.5° | 120.0° |
| C29 | N6 | H43 | 109.5° | 120.0° |
| N5 | C29 | C30 | 117.9° | 118.5° |
| C29 | N5 | C28 | 118.7° | 121.2° |
| C29 | C30 | N7 | 132.3° | 134.7° |
| C29 | C30 | C27 | 117.0° | 118.1° |
| C30 | N7 | C31 | 103.7° | 109.5° |
| N7 | C30 | C27 | 110.7° | 107.1° |
| N7 | C31 | N3 | 114.0° | 109.9° |
| N7 | C31 | H41 | 123.0° | 125.1° |
| N5 | C28 | N4 | 128.9° | 122.5° |
| N5 | C28 | H44 | 115.6° | 118.8° |
| C30 | C27 | N3 | 105.8° | 106.0° |
| C30 | C27 | N4 | 126.7° | 119.1° |
| C31 | N3 | C27 | 105.8° | 107.4° |
| C31 | N3 | C26 | 127.0° | 126.3° |
| N3 | C31 | H41 | 123.0° | 125.0° |
| C28 | N4 | C27 | 110.9° | 120.6° |
| N4 | C28 | H44 | 115.6° | 118.8° |
| N3 | C27 | N4 | 127.5° | 134.9° |
| C27 | N3 | C26 | 127.2° | 126.3° |
| N3 | C26 | C | 115.6° | 110.4° |
| N3 | C26 | O4 | 107.6° | 110.4° |
| N3 | C26 | H38 | 109.5° | 110.5° |
| C6 | C7 | N | 111.9° | 109.5° |
| C6 | C7 | C8 | 109.6° | 109.5° |
| C7 | C6 | C5 | 112.1° | 109.5° |
| C7 | C6 | H7 | 108.8° | 109.5° |
| C7 | C6 | H8 | 108.8° | 109.4° |
| C6 | C7 | H22 | 108.0° | 109.5° |
| N | C7 | C8 | 108.3° | 109.5° |
| N | C7 | H22 | 109.9° | 109.5° |
| C7 | N | H23 | 109.5° | 111.0° |
| C7 | N | H24 | 109.5° | 111.0° |
| C7 | C8 | N1 | 119.9° | 120.0° |
| C7 | C8 | O3 | 118.2° | 120.0° |
| C8 | C7 | H22 | 109.1° | 109.5° |
| C | C26 | O4 | 105.1° | 104.8° |
| C26 | C | O | 112.1° | 110.5° |
| C26 | C | C1 | 101.1° | 104.1° |
| C | C26 | H38 | 108.7° | 110.3° |
| C26 | C | H39 | 109.3° | 110.5° |
| C26 | O4 | C2 | 108.4° | 105.3° |
| O4 | C26 | H38 | 110.3° | 110.3° |
| O | C | C1 | 113.9° | 110.5° |
| O | C | H39 | 110.8° | 110.5° |
| C | O | H40 | 109.5° | 114.0° |
| C | C1 | C2 | 103.8° | 104.1° |
| C | C1 | O1 | 114.7° | 110.5° |
| C | C1 | H9 | 108.4° | 110.7° |
| C1 | C | H39 | 109.2° | 110.6° |
| C6 | C5 | C4 | 114.7° | 109.4° |
| C6 | C5 | H5 | 108.1° | 109.5° |
| C6 | C5 | H6 | 108.2° | 109.4° |
| C5 | C6 | H7 | 108.8° | 109.5° |
| C5 | C6 | H8 | 108.8° | 109.5° |
| O4 | C2 | C3 | 108.9° | 110.4° |
| O4 | C2 | C1 | 106.7° | 104.8° |
| O4 | C2 | H4 | 109.5° | 110.5° |
| C8 | N1 | C9 | 119.9° | 120.0° |
| N1 | C8 | O3 | 121.9° | 120.0° |
| C8 | N1 | H10 | 120.0° | 120.0° |
| N1 | C9 | C10 | 113.4° | 109.5° |
| C9 | N1 | H10 | 120.0° | 120.0° |
| N1 | C9 | H11 | 108.5° | 109.5° |
| N1 | C9 | H12 | 108.5° | 109.5° |
| C9 | C10 | C11 | 110.4° | 109.5° |
| C10 | C9 | H11 | 108.5° | 109.5° |
| C10 | C9 | H12 | 108.5° | 109.5° |
| C9 | C10 | H13 | 109.3° | 109.5° |
| C9 | C10 | H14 | 109.2° | 109.4° |
| C10 | C11 | C12 | 121.0° | 120.0° |
| C10 | C11 | C17 | 120.6° | 119.9° |
| C11 | C10 | H13 | 109.2° | 109.5° |
| C11 | C10 | H14 | 109.3° | 109.5° |
| C2 | C3 | C4 | 116.7° | 109.5° |
| C3 | C2 | C1 | 114.6° | 110.4° |
| C2 | C3 | H2 | 107.6° | 109.4° |
| C2 | C3 | H3 | 107.6° | 109.5° |
| C3 | C2 | H4 | 108.5° | 110.3° |
| C3 | C4 | C5 | 110.6° | 109.5° |
| C3 | C4 | C18 | 112.9° | 109.5° |
| C3 | C4 | H1 | 108.4° | 109.5° |
| C4 | C3 | H2 | 107.6° | 109.5° |
| C4 | C3 | H3 | 107.7° | 109.5° |
| C2 | C1 | O1 | 111.5° | 110.5° |
| C1 | C2 | H4 | 108.5° | 110.4° |
| C2 | C1 | H9 | 108.4° | 110.5° |
| O1 | C1 | H9 | 109.8° | 110.4° |
| C1 | O1 | H37 | 109.5° | 114.0° |
| C5 | C4 | C18 | 108.2° | 109.4° |
| C5 | C4 | H1 | 108.1° | 109.5° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| C4 | C5 | H6 | 108.1° | 109.5° |
| C4 | C18 | N2 | 119.2° | 109.5° |
| C18 | C4 | H1 | 108.4° | 109.5° |
| C4 | C18 | H26 | 107.0° | 109.5° |
| C4 | C18 | H27 | 107.0° | 109.5° |
| C11 | C12 | C13 | 121.2° | 120.1° |
| C12 | C11 | C17 | 118.3° | 120.1° |
| C11 | C12 | H21 | 119.4° | 119.9° |
| C12 | C13 | C14 | 119.7° | 119.9° |
| C12 | C13 | H20 | 120.2° | 120.0° |
| C13 | C12 | H21 | 119.4° | 120.0° |
| C11 | C17 | C16 | 121.2° | 120.0° |
| C11 | C17 | H15 | 119.4° | 120.0° |
| C13 | C14 | C16 | 119.8° | 119.9° |
| C13 | C14 | O2 | 125.5° | 120.1° |
| C14 | C13 | H20 | 120.1° | 120.0° |
| C18 | N2 | C19 | 107.7° | 111.0° |
| N2 | C18 | H26 | 107.0° | 109.4° |
| N2 | C18 | H27 | 107.0° | 109.5° |
| C18 | N2 | H28 | 109.9° | 111.0° |
| C17 | C16 | C14 | 119.8° | 120.0° |
| C16 | C17 | H15 | 119.4° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| N2 | C19 | C20 | 114.2° | 109.5° |
| C19 | N2 | H28 | 109.9° | 111.0° |
| N2 | C19 | H30 | 108.3° | 109.5° |
| N2 | C19 | H31 | 108.3° | 109.5° |
| C16 | C14 | O2 | 114.6° | 120.1° |
| C14 | C16 | H16 | 120.1° | 120.0° |
| C14 | O2 | C15 | 118.0° | 117.0° |
| O2 | C15 | H17 | 109.5° | 109.4° |
| O2 | C15 | H18 | 109.5° | 109.5° |
| O2 | C15 | H19 | 109.5° | 109.5° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | C25 | 120.9° | 120.0° |
| C20 | C19 | H30 | 108.3° | 109.4° |
| C20 | C19 | H31 | 108.3° | 109.5° |
| C20 | C21 | C22 | 120.7° | 120.0° |
| C21 | C20 | C25 | 118.3° | 120.0° |
| C20 | C21 | H36 | 119.6° | 120.0° |
| C21 | C22 | C23 | 120.2° | 119.9° |
| C21 | C22 | H35 | 119.9° | 120.0° |
| C22 | C21 | H36 | 119.6° | 120.0° |
| C20 | C25 | C24 | 120.6° | 120.0° |
| C20 | C25 | H32 | 119.7° | 120.0° |
| C22 | C23 | C24 | 119.7° | 120.0° |
| C22 | C23 | H34 | 120.1° | 120.0° |
| C23 | C22 | H35 | 120.0° | 120.1° |
| C25 | C24 | C23 | 120.4° | 120.0° |
| C24 | C25 | H32 | 119.7° | 120.0° |
| C25 | C24 | H33 | 119.8° | 120.0° |
| C23 | C24 | H33 | 119.8° | 120.0° |
| C24 | C23 | H34 | 120.1° | 120.0° |
| H2 | C3 | H3 | 109.4° | 109.5° |
| H5 | C5 | H6 | 109.4° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H11 | C9 | H12 | 109.4° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.4° |
| H17 | C15 | H19 | 109.4° | 109.5° |
| H18 | C15 | H19 | 109.5° | 109.5° |
| H23 | N | H24 | 109.4° | 111.0° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H30 | C19 | H31 | 109.5° | 109.4° |
| H42 | N6 | H43 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C29 | N5 | C30 | 178.8° | 180.0° |
| N6 | C29 | C30 | N7 | 1.9° | 0.0° |
| N6 | C29 | N5 | C28 | 178.6° | 180.0° |
| N6 | C29 | C30 | C27 | 178.6° | 179.7° |
| C29 | N6 | H42 | H43 | 120.0° | 179.9° |
| N5 | C29 | C30 | N7 | 179.4° | 180.0° |
| N5 | C29 | C30 | C27 | 0.1° | 0.3° |
| C29 | N5 | C28 | N4 | 0.6° | 0.3° |
| N5 | C29 | N6 | H42 | 0.0° | 0.1° |
| N5 | C29 | N6 | H43 | 120.0° | 180.0° |
| C29 | N5 | C28 | H44 | 179.4° | 180.0° |
| C29 | C30 | N7 | C27 | 179.6° | 179.7° |
| C29 | C30 | N7 | C31 | 179.6° | 180.0° |
| C30 | C29 | N5 | C28 | 0.2° | 0.0° |
| C29 | C30 | C27 | N3 | 179.6° | 179.8° |
| C29 | C30 | C27 | N4 | 0.4° | 0.3° |
| C30 | C29 | N6 | H42 | 178.7° | 180.0° |
| C30 | C29 | N6 | H43 | 61.3° | 0.1° |
| C30 | N7 | C31 | N3 | 0.1° | 0.0° |
| N7 | C30 | C27 | N3 | 0.0° | 0.4° |
| N7 | C30 | C27 | N4 | 179.2° | 179.9° |
| C30 | N7 | C31 | H41 | 179.9° | 179.9° |
| C31 | N7 | C30 | C27 | 0.0° | 0.3° |
| N7 | C31 | N3 | H41 | 180.0° | 179.9° |
| N7 | C31 | N3 | C27 | 0.1° | 0.3° |
| N7 | C31 | N3 | C26 | 177.9° | 180.0° |
| N5 | C28 | N4 | H44 | 180.0° | 179.7° |
| N5 | C28 | N4 | C27 | 0.8° | 0.4° |
| C30 | C27 | N3 | C31 | 0.1° | 0.4° |
| C30 | C27 | N4 | C28 | 0.7° | 0.1° |
| C30 | C27 | N3 | N4 | 179.2° | 179.4° |
| C30 | C27 | N3 | C26 | 177.9° | 179.8° |
| C31 | N3 | C27 | C26 | 178.0° | 179.7° |
| C31 | N3 | C27 | N4 | 179.3° | 179.8° |
| C31 | N3 | C26 | C | 61.4° | 95.0° |
| C31 | N3 | C26 | O4 | 55.5° | 20.4° |
| C31 | N3 | C26 | H38 | 175.4° | 142.7° |
| C28 | N4 | C27 | N3 | 179.7° | 179.3° |
| C27 | N3 | C26 | C | 121.0° | 84.7° |
| C27 | N3 | C26 | O4 | 122.0° | 159.9° |
| C27 | N3 | C26 | H38 | 2.1° | 37.6° |
| C27 | N3 | C31 | H41 | 179.9° | 179.8° |
| N4 | C27 | N3 | C26 | 1.3° | 0.4° |
| C27 | N4 | C28 | H44 | 179.2° | 179.9° |
| N3 | C26 | C | O4 | 118.4° | 118.9° |
| N3 | C26 | C | H38 | 123.6° | 122.4° |
| N3 | C26 | O4 | H38 | 119.4° | 122.4° |
| N3 | C26 | C | O | 81.1° | 98.5° |
| N3 | C26 | C | C1 | 157.3° | 142.8° |
| N3 | C26 | O4 | C2 | 157.9° | 159.3° |
| N3 | C26 | C | H39 | 42.2° | 24.0° |
| C26 | N3 | C31 | H41 | 2.1° | 0.1° |
| C6 | C7 | N | C8 | 121.0° | 120.0° |
| C6 | C7 | N | H22 | 120.0° | 120.0° |
| C6 | C7 | C8 | H22 | 118.1° | 120.0° |
| C7 | C6 | C5 | H7 | 120.4° | 120.0° |
| C7 | C6 | C5 | H8 | 120.4° | 120.0° |
| C6 | C7 | C8 | N1 | 70.5° | 85.5° |
| C6 | C7 | C8 | O3 | 108.4° | 94.4° |
| C7 | C6 | C5 | C4 | 168.4° | 176.4° |
| C7 | C6 | C5 | H5 | 70.8° | 63.6° |
| C7 | C6 | C5 | H6 | 47.6° | 56.5° |
| C7 | C6 | H7 | H8 | 118.8° | 119.9° |
| C6 | C7 | N | H23 | 180.0° | 60.0° |
| C6 | C7 | N | H24 | 60.0° | 176.1° |
| N | C7 | C8 | H22 | 119.5° | 120.0° |
| N | C7 | C6 | C5 | 55.1° | 65.5° |
| N | C7 | C8 | N1 | 167.1° | 154.5° |
| N | C7 | C8 | O3 | 14.0° | 25.6° |
| N | C7 | C6 | H7 | 65.3° | 54.6° |
| N | C7 | C6 | H8 | 175.5° | 174.5° |
| C7 | N | H23 | H24 | 120.0° | 124.0° |
| C8 | C7 | C6 | C5 | 65.1° | 174.5° |
| C7 | C8 | N1 | O3 | 178.9° | 179.9° |
| C7 | C8 | N1 | C9 | 178.9° | 174.8° |
| C8 | C7 | C6 | H7 | 174.5° | 65.5° |
| C8 | C7 | C6 | H8 | 55.3° | 54.5° |
| C7 | C8 | N1 | H10 | 1.1° | 5.2° |
| C8 | C7 | N | H23 | 59.1° | 60.0° |
| C8 | C7 | N | H24 | 179.1° | 63.9° |
| C | C26 | O4 | H38 | 117.0° | 118.8° |
| C26 | C | O | C1 | 114.0° | 114.7° |
| C26 | C | O | H39 | 122.4° | 122.6° |
| C26 | C | C1 | H39 | 115.2° | 118.7° |
| C | C26 | O4 | C2 | 34.2° | 40.5° |
| C26 | C | C1 | C2 | 28.8° | 0.0° |
| C26 | C | C1 | O1 | 93.0° | 118.7° |
| C26 | C | C1 | H9 | 143.9° | 118.7° |
| C26 | C | O | H40 | 180.0° | 179.9° |
| O4 | C26 | C | O | 160.6° | 142.6° |
| O4 | C26 | C | C1 | 38.9° | 23.9° |
| C26 | O4 | C2 | C3 | 139.1° | 159.3° |
| C26 | O4 | C2 | C1 | 14.9° | 40.5° |
| C26 | O4 | C2 | H4 | 102.3° | 78.4° |
| O4 | C26 | C | H39 | 76.2° | 94.8° |
| O | C | C1 | H39 | 124.4° | 122.6° |
| O | C | C1 | C2 | 149.2° | 118.6° |
| O | C | C1 | O1 | 27.3° | 0.0° |
| O | C | C1 | H9 | 95.7° | 122.6° |
| O | C | C26 | H38 | 42.5° | 23.8° |
| C | C1 | C2 | O4 | 10.1° | 24.0° |
| C | C1 | C2 | C3 | 110.5° | 142.8° |
| C | C1 | C2 | O1 | 123.9° | 118.7° |
| C | C1 | C2 | H9 | 115.1° | 118.9° |
| C | C1 | O1 | H9 | 122.3° | 122.8° |
| C | C1 | C2 | H4 | 128.0° | 94.9° |
| C | C1 | O1 | H37 | 180.0° | 65.4° |
| C1 | C | C26 | H38 | 79.1° | 94.8° |
| C1 | C | O | H40 | 66.0° | 65.4° |
| C6 | C5 | C4 | C3 | 49.8° | 65.4° |
| C6 | C5 | C4 | H5 | 120.8° | 120.0° |
| C6 | C5 | C4 | H6 | 120.8° | 119.9° |
| C6 | C5 | C4 | C18 | 174.0° | 174.7° |
| C6 | C5 | C4 | H1 | 68.7° | 54.7° |
| C6 | C5 | H5 | H6 | 117.6° | 119.9° |
| C5 | C6 | H7 | H8 | 118.8° | 120.0° |
| C5 | C6 | C7 | H22 | 176.2° | 54.5° |
| O4 | C2 | C3 | C1 | 119.4° | 115.4° |
| O4 | C2 | C3 | H4 | 119.2° | 122.3° |
| O4 | C2 | C3 | C4 | 87.9° | 69.6° |
| O4 | C2 | C1 | H4 | 117.9° | 118.9° |
| O4 | C2 | C1 | O1 | 113.9° | 142.6° |
| O4 | C2 | C3 | H2 | 151.0° | 50.4° |
| O4 | C2 | C3 | H3 | 33.1° | 170.4° |
| O4 | C2 | C1 | H9 | 125.1° | 94.9° |
| C2 | O4 | C26 | H38 | 82.7° | 78.3° |
| C8 | N1 | C9 | H10 | 180.0° | 180.0° |
| C8 | N1 | C9 | C10 | 157.8° | 175.1° |
| C8 | N1 | C9 | H11 | 81.6° | 55.0° |
| C8 | N1 | C9 | H12 | 37.2° | 64.9° |
| N1 | C8 | C7 | H22 | 47.5° | 34.5° |
| C9 | N1 | C8 | O3 | 0.1° | 5.1° |
| N1 | C9 | C10 | H11 | 120.6° | 120.0° |
| N1 | C9 | C10 | H12 | 120.6° | 120.0° |
| N1 | C9 | C10 | C11 | 167.7° | 175.1° |
| N1 | C9 | H11 | H12 | 118.2° | 120.0° |
| N1 | C9 | C10 | H13 | 47.6° | 55.1° |
| N1 | C9 | C10 | H14 | 72.2° | 64.9° |
| O3 | C8 | N1 | H10 | 179.9° | 174.9° |
| O3 | C8 | C7 | H22 | 133.6° | 145.6° |
| C9 | C10 | C11 | H13 | 120.2° | 120.0° |
| C9 | C10 | C11 | H14 | 120.1° | 119.9° |
| C9 | C10 | C11 | C12 | 98.2° | 90.3° |
| C9 | C10 | C11 | C17 | 81.7° | 90.0° |
| C10 | C9 | N1 | H10 | 22.2° | 4.9° |
| C10 | C9 | H11 | H12 | 118.2° | 120.0° |
| C9 | C10 | H13 | H14 | 119.6° | 119.9° |
| C10 | C11 | C12 | C17 | 179.9° | 179.7° |
| C10 | C11 | C12 | C13 | 179.4° | 179.8° |
| C10 | C11 | C17 | C16 | 178.7° | 180.0° |
| C11 | C10 | C9 | H11 | 71.7° | 64.8° |
| C11 | C10 | C9 | H12 | 47.1° | 55.1° |
| C11 | C10 | H13 | H14 | 119.6° | 120.1° |
| C10 | C11 | C17 | H15 | 1.3° | 0.0° |
| C10 | C11 | C12 | H21 | 0.6° | 0.0° |
| C2 | C3 | C4 | H2 | 121.1° | 120.0° |
| C2 | C3 | C4 | H3 | 121.0° | 120.0° |
| C3 | C2 | C1 | H4 | 121.5° | 122.2° |
| C3 | C2 | C1 | O1 | 125.5° | 98.5° |
| C2 | C3 | C4 | C5 | 177.5° | 175.0° |
| C2 | C3 | C4 | C18 | 56.1° | 65.0° |
| C2 | C3 | C4 | H1 | 64.1° | 55.0° |
| C2 | C3 | H2 | H3 | 116.7° | 120.0° |
| C3 | C2 | C1 | H9 | 4.5° | 24.0° |
| C4 | C3 | C2 | C1 | 152.6° | 175.0° |
| C3 | C4 | C5 | C18 | 124.2° | 120.0° |
| C3 | C4 | C5 | H1 | 118.5° | 120.0° |
| C3 | C4 | C18 | H1 | 120.2° | 120.0° |
| C3 | C4 | C18 | N2 | 173.8° | 174.4° |
| C4 | C3 | H2 | H3 | 116.7° | 120.0° |
| C4 | C3 | C2 | H4 | 31.2° | 52.7° |
| C3 | C4 | C5 | H5 | 70.9° | 174.6° |
| C3 | C4 | C5 | H6 | 170.6° | 54.5° |
| C3 | C4 | C18 | H26 | 52.3° | 54.4° |
| C3 | C4 | C18 | H27 | 64.9° | 65.6° |
| C2 | C1 | O1 | H9 | 120.2° | 122.5° |
| C1 | C2 | C3 | H2 | 31.6° | 65.0° |
| C1 | C2 | C3 | H3 | 86.3° | 55.0° |
| C2 | C1 | O1 | H37 | 62.5° | 180.0° |
| C2 | C1 | C | H39 | 86.4° | 118.7° |
| O1 | C1 | C2 | H4 | 4.1° | 23.7° |
| O1 | C1 | C | H39 | 151.8° | 122.6° |
| C5 | C4 | C18 | H1 | 117.0° | 120.0° |
| C5 | C4 | C18 | N2 | 63.4° | 65.6° |
| C5 | C4 | C3 | H2 | 56.5° | 55.0° |
| C5 | C4 | C3 | H3 | 61.4° | 65.0° |
| C4 | C5 | H5 | H6 | 117.6° | 120.1° |
| C4 | C5 | C6 | H7 | 48.0° | 56.4° |
| C4 | C5 | C6 | H8 | 71.2° | 63.6° |
| C5 | C4 | C18 | H26 | 175.2° | 174.4° |
| C5 | C4 | C18 | H27 | 57.9° | 54.4° |
| C4 | C18 | N2 | H26 | 121.4° | 120.0° |
| C4 | C18 | N2 | H27 | 121.4° | 120.0° |
| C4 | C18 | N2 | C19 | 178.6° | 176.7° |
| C18 | C4 | C3 | H2 | 65.0° | 175.0° |
| C18 | C4 | C3 | H3 | 177.2° | 55.0° |
| C18 | C4 | C5 | H5 | 53.3° | 54.6° |
| C18 | C4 | C5 | H6 | 65.2° | 65.4° |
| C4 | C18 | H26 | H27 | 115.6° | 120.0° |
| C4 | C18 | N2 | H28 | 61.6° | 52.8° |
| C11 | C12 | C13 | H21 | 180.0° | 179.8° |
| C11 | C12 | C13 | C14 | 0.8° | 0.5° |
| C12 | C11 | C17 | C16 | 1.2° | 0.3° |
| C12 | C11 | C10 | H13 | 141.6° | 149.7° |
| C12 | C11 | C10 | H14 | 21.9° | 29.7° |
| C12 | C11 | C17 | H15 | 178.8° | 179.7° |
| C11 | C12 | C13 | H20 | 179.2° | 179.7° |
| C13 | C12 | C11 | C17 | 0.5° | 0.5° |
| C12 | C13 | C14 | H20 | 180.0° | 179.8° |
| C12 | C13 | C14 | C16 | 1.5° | 0.2° |
| C12 | C13 | C14 | O2 | 175.4° | 179.8° |
| C11 | C17 | C16 | H15 | 180.0° | 180.0° |
| C11 | C17 | C16 | C14 | 0.6° | 0.1° |
| C17 | C11 | C10 | H13 | 38.5° | 30.0° |
| C17 | C11 | C10 | H14 | 158.2° | 150.0° |
| C11 | C17 | C16 | H16 | 179.4° | 180.0° |
| C17 | C11 | C12 | H21 | 179.5° | 179.7° |
| C13 | C14 | C16 | C17 | 0.8° | 0.1° |
| C13 | C14 | C16 | O2 | 177.2° | 180.0° |
| C13 | C14 | O2 | C15 | 1.1° | 0.0° |
| C13 | C14 | C16 | H16 | 179.2° | 180.0° |
| C14 | C13 | C12 | H21 | 179.2° | 179.7° |
| C18 | N2 | C19 | H28 | 119.7° | 123.9° |
| C18 | N2 | C19 | C20 | 155.0° | 174.9° |
| N2 | C18 | C4 | H1 | 53.6° | 54.4° |
| N2 | C18 | H26 | H27 | 115.6° | 120.0° |
| C18 | N2 | C19 | H30 | 84.3° | 54.9° |
| C18 | N2 | C19 | H31 | 34.3° | 65.1° |
| C17 | C16 | C14 | H16 | 180.0° | 180.0° |
| C17 | C16 | C14 | O2 | 176.4° | 180.0° |
| N2 | C19 | C20 | H30 | 120.7° | 120.0° |
| N2 | C19 | C20 | H31 | 120.7° | 120.1° |
| N2 | C19 | C20 | C21 | 58.7° | 85.4° |
| N2 | C19 | C20 | C25 | 117.7° | 94.8° |
| C19 | N2 | C18 | H26 | 57.2° | 63.3° |
| C19 | N2 | C18 | H27 | 60.0° | 56.7° |
| N2 | C19 | H30 | H31 | 117.9° | 120.0° |
| C16 | C14 | O2 | C15 | 175.9° | 179.9° |
| C14 | C16 | C17 | H15 | 179.4° | 180.0° |
| C16 | C14 | C13 | H20 | 178.6° | 179.9° |
| O2 | C14 | C16 | H16 | 3.6° | 0.0° |
| C14 | O2 | C15 | H17 | 180.0° | 179.9° |
| C14 | O2 | C15 | H18 | 60.0° | 60.0° |
| C14 | O2 | C15 | H19 | 60.0° | 60.0° |
| O2 | C14 | C13 | H20 | 4.6° | 0.1° |
| O2 | C15 | H17 | H18 | 120.0° | 120.0° |
| O2 | C15 | H17 | H19 | 120.0° | 120.0° |
| O2 | C15 | H18 | H19 | 120.0° | 120.0° |
| C19 | C20 | C21 | C25 | 176.4° | 179.8° |
| C19 | C20 | C21 | C22 | 174.2° | 179.7° |
| C19 | C20 | C25 | C24 | 174.4° | 180.0° |
| C20 | C19 | N2 | H28 | 35.3° | 61.2° |
| C20 | C19 | H30 | H31 | 117.9° | 120.0° |
| C19 | C20 | C25 | H32 | 5.6° | 0.1° |
| C19 | C20 | C21 | H36 | 5.8° | 0.1° |
| C20 | C21 | C22 | H36 | 180.0° | 179.8° |
| C20 | C21 | C22 | C23 | 0.8° | 0.5° |
| C21 | C20 | C25 | C24 | 2.1° | 0.2° |
| C21 | C20 | C19 | H30 | 62.0° | 154.6° |
| C21 | C20 | C19 | H31 | 179.4° | 34.7° |
| C21 | C20 | C25 | H32 | 177.9° | 179.7° |
| C20 | C21 | C22 | H35 | 179.2° | 179.8° |
| C22 | C21 | C20 | C25 | 2.2° | 0.5° |
| C21 | C22 | C23 | H35 | 180.0° | 179.7° |
| C21 | C22 | C23 | C24 | 0.8° | 0.3° |
| C21 | C22 | C23 | H34 | 179.2° | 179.8° |
| C20 | C25 | C24 | H32 | 180.0° | 180.0° |
| C20 | C25 | C24 | C23 | 0.5° | 0.0° |
| C25 | C20 | C19 | H30 | 121.6° | 25.2° |
| C25 | C20 | C19 | H31 | 3.0° | 145.1° |
| C20 | C25 | C24 | H33 | 179.5° | 180.0° |
| C25 | C20 | C21 | H36 | 177.8° | 179.7° |
| C22 | C23 | C24 | C25 | 0.9° | 0.0° |
| C22 | C23 | C24 | H34 | 180.0° | 179.9° |
| C22 | C23 | C24 | H33 | 179.0° | 180.0° |
| C23 | C22 | C21 | H36 | 179.2° | 179.7° |
| C25 | C24 | C23 | H33 | 180.0° | 180.0° |
| C25 | C24 | C23 | H34 | 179.0° | 179.9° |
| C23 | C24 | C25 | H32 | 179.5° | 180.0° |
| C24 | C23 | C22 | H35 | 179.2° | 180.0° |
| H1 | C4 | C3 | H2 | 174.9° | 65.0° |
| H1 | C4 | C3 | H3 | 57.0° | 175.0° |
| H1 | C4 | C5 | H5 | 170.5° | 65.3° |
| H1 | C4 | C5 | H6 | 52.1° | 174.6° |
| H1 | C4 | C18 | H26 | 67.8° | 65.6° |
| H1 | C4 | C18 | H27 | 175.0° | 174.4° |
| H2 | C3 | C2 | H4 | 89.8° | 172.7° |
| H3 | C3 | C2 | H4 | 152.3° | 67.3° |
| H4 | C2 | C1 | H9 | 116.9° | 146.2° |
| H5 | C5 | C6 | H7 | 168.8° | 176.4° |
| H5 | C5 | C6 | H8 | 49.6° | 56.4° |
| H6 | C5 | C6 | H7 | 72.8° | 63.6° |
| H6 | C5 | C6 | H8 | 168.0° | 176.4° |
| H7 | C6 | C7 | H22 | 55.8° | 174.5° |
| H8 | C6 | C7 | H22 | 63.4° | 65.5° |
| H9 | C1 | O1 | H37 | 57.7° | 57.5° |
| H9 | C1 | C | H39 | 28.7° | 0.0° |
| H10 | N1 | C9 | H11 | 98.4° | 124.9° |
| H10 | N1 | C9 | H12 | 142.8° | 115.1° |
| H11 | C9 | C10 | H13 | 168.2° | 175.1° |
| H11 | C9 | C10 | H14 | 48.4° | 55.2° |
| H12 | C9 | C10 | H13 | 73.0° | 64.9° |
| H12 | C9 | C10 | H14 | 167.2° | 175.1° |
| H15 | C17 | C16 | H16 | 0.6° | 0.0° |
| H17 | C15 | H18 | H19 | 120.0° | 120.0° |
| H20 | C13 | C12 | H21 | 0.8° | 0.1° |
| H22 | C7 | N | H23 | 60.0° | 180.0° |
| H22 | C7 | N | H24 | 60.0° | 56.1° |
| H26 | C18 | N2 | H28 | 177.0° | 172.8° |
| H27 | C18 | N2 | H28 | 59.8° | 67.2° |
| H28 | N2 | C19 | H30 | 155.9° | 178.8° |
| H28 | N2 | C19 | H31 | 85.4° | 58.9° |
| H32 | C25 | C24 | H33 | 0.5° | 0.0° |
| H33 | C24 | C23 | H34 | 1.0° | 0.1° |
| H34 | C23 | C22 | H35 | 0.8° | 0.1° |
| H35 | C22 | C21 | H36 | 0.8° | 0.0° |
| H38 | C26 | C | H39 | 165.8° | 146.4° |
| H39 | C | O | H40 | 57.6° | 57.3° |
