HY8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C9 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| N11 | C26 | doub | 1.32Å | 1.33Å | Aromatic |
| N11 | C27 | sing | 1.33Å | 1.33Å | Aromatic |
| C26 | N10 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N12 | C27 | sing | 1.38Å | 1.43Å | |
| C10 | N5 | sing | 1.38Å | 1.49Å | |
| C10 | C7 | doub | 1.41Å | 1.43Å | Aromatic |
| N5 | C11 | sing | 1.46Å | 1.47Å | |
| C27 | C24 | doub | 1.41Å | 1.41Å | Aromatic |
| N10 | C23 | doub | 1.33Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | N1 | sing | 1.37Å | 1.36Å | Aromatic |
| C7 | N2 | sing | 1.35Å | 1.36Å | Aromatic |
| O4 | C3 | sing | 1.43Å | 1.48Å | |
| O1 | C4 | sing | 1.44Å | 1.55Å | |
| O1 | C1 | sing | 1.44Å | 1.54Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | N9 | sing | 1.35Å | 1.35Å | Aromatic |
| C23 | N8 | sing | 1.37Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| O3 | C2 | sing | 1.43Å | 1.46Å | |
| N1 | C4 | sing | 1.46Å | 1.53Å | |
| N1 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | C3 | sing | 1.54Å | 1.29Å | |
| N2 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C3 | C2 | sing | 1.54Å | 1.68Å | |
| C1 | C5 | sing | 1.53Å | 1.57Å | |
| C1 | C2 | sing | 1.54Å | 1.29Å | |
| C5 | O2 | sing | 1.43Å | 1.43Å | |
| N9 | C25 | doub | 1.30Å | 1.33Å | Aromatic |
| C13 | N6 | sing | 1.47Å | 1.49Å | |
| N8 | C25 | sing | 1.36Å | 1.33Å | Aromatic |
| N8 | C22 | sing | 1.47Å | 1.49Å | |
| O7 | C22 | sing | 1.44Å | 1.62Å | |
| O7 | C19 | sing | 1.44Å | 1.53Å | |
| C22 | C21 | sing | 1.54Å | 1.25Å | |
| N6 | C14 | sing | 1.47Å | 1.48Å | |
| N6 | C15 | sing | 1.47Å | 1.50Å | |
| C19 | C14 | sing | 1.53Å | 1.59Å | |
| C19 | C20 | sing | 1.55Å | 1.33Å | |
| C21 | C20 | sing | 1.55Å | 1.69Å | |
| C21 | O9 | sing | 1.43Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C20 | O8 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | N7 | sing | 1.47Å | 1.45Å | |
| C17 | C18 | sing | 1.51Å | 1.51Å | |
| O5 | C18 | doub | 1.21Å | 1.27Å | |
| C18 | O6 | sing | 1.34Å | 1.28Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| N12 | H28 | sing | 0.97Å | 1.00Å | |
| N12 | H29 | sing | 0.97Å | 1.00Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| N7 | H32 | sing | 1.01Å | 1.00Å | |
| N7 | H33 | sing | 1.01Å | 1.00Å | |
| O2 | H35 | sing | 0.97Å | 0.95Å | |
| O3 | H36 | sing | 0.97Å | 0.95Å | |
| O4 | H37 | sing | 0.97Å | 0.95Å | |
| O6 | H38 | sing | 0.97Å | 0.95Å | |
| O8 | H39 | sing | 0.97Å | 0.95Å | |
| O9 | H40 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C9 | N3 | 122.8° | 122.5° |
| C9 | N4 | C10 | 121.0° | 121.2° |
| N4 | C9 | H9 | 118.6° | 118.8° |
| C9 | N3 | C6 | 120.0° | 120.6° |
| N3 | C9 | H9 | 118.6° | 118.7° |
| N4 | C10 | N5 | 118.8° | 120.8° |
| N4 | C10 | C7 | 118.1° | 118.4° |
| C26 | N11 | C27 | 121.1° | 121.2° |
| N11 | C26 | N10 | 121.0° | 122.5° |
| N11 | C26 | H27 | 119.5° | 118.8° |
| N11 | C27 | N12 | 120.3° | 120.8° |
| N11 | C27 | C24 | 119.4° | 118.4° |
| C26 | N10 | C23 | 121.5° | 120.6° |
| N10 | C26 | H27 | 119.5° | 118.8° |
| N3 | C6 | C7 | 119.2° | 119.1° |
| N3 | C6 | N1 | 133.2° | 134.9° |
| N12 | C27 | C24 | 120.3° | 120.8° |
| C27 | N12 | H28 | 109.5° | 120.0° |
| C27 | N12 | H29 | 109.4° | 120.1° |
| N5 | C10 | C7 | 123.1° | 120.8° |
| C10 | N5 | C11 | 123.4° | 120.0° |
| C10 | N5 | H30 | 105.9° | 120.0° |
| C10 | C7 | C6 | 118.9° | 118.1° |
| C10 | C7 | N2 | 135.0° | 134.7° |
| N5 | C11 | C12 | 110.7° | 109.5° |
| N5 | C11 | H6 | 109.2° | 109.5° |
| N5 | C11 | H7 | 109.2° | 109.5° |
| C11 | N5 | H30 | 105.9° | 120.0° |
| C27 | C24 | C23 | 117.7° | 118.2° |
| C27 | C24 | N9 | 135.0° | 134.6° |
| N10 | C23 | C24 | 119.2° | 119.1° |
| N10 | C23 | N8 | 134.2° | 134.9° |
| C7 | C6 | N1 | 107.5° | 106.0° |
| C6 | C7 | N2 | 106.1° | 107.2° |
| C6 | N1 | C4 | 130.0° | 126.3° |
| C6 | N1 | C8 | 107.7° | 107.4° |
| C7 | N2 | C8 | 108.6° | 109.5° |
| O4 | C3 | C4 | 115.3° | 110.5° |
| O4 | C3 | C2 | 107.4° | 110.5° |
| O4 | C3 | H14 | 111.7° | 110.5° |
| C3 | O4 | H37 | 109.5° | 114.1° |
| C4 | O1 | C1 | 81.9° | 105.3° |
| O1 | C4 | N1 | 116.8° | 110.4° |
| O1 | C4 | C3 | 102.5° | 104.8° |
| O1 | C4 | H1 | 101.5° | 110.4° |
| O1 | C1 | C5 | 112.5° | 110.4° |
| O1 | C1 | C2 | 103.4° | 104.8° |
| O1 | C1 | H15 | 104.3° | 110.4° |
| C11 | C12 | C13 | 112.2° | 109.4° |
| C12 | C11 | H6 | 109.2° | 109.5° |
| C12 | C11 | H7 | 109.2° | 109.5° |
| C11 | C12 | H10 | 108.8° | 109.5° |
| C11 | C12 | H11 | 108.8° | 109.5° |
| C23 | C24 | N9 | 107.3° | 107.2° |
| C24 | C23 | N8 | 106.5° | 106.0° |
| C24 | N9 | C25 | 108.3° | 109.4° |
| C23 | N8 | C25 | 108.5° | 107.4° |
| C23 | N8 | C22 | 124.6° | 126.3° |
| C12 | C13 | N6 | 117.4° | 109.5° |
| C13 | C12 | H10 | 108.8° | 109.5° |
| C13 | C12 | H11 | 108.8° | 109.4° |
| C12 | C13 | H12 | 107.5° | 109.5° |
| C12 | C13 | H13 | 107.4° | 109.5° |
| O3 | C2 | C3 | 108.6° | 110.6° |
| O3 | C2 | C1 | 114.4° | 110.5° |
| O3 | C2 | H22 | 111.4° | 110.6° |
| C2 | O3 | H36 | 109.5° | 114.0° |
| C4 | N1 | C8 | 122.2° | 126.3° |
| N1 | C4 | C3 | 126.8° | 110.4° |
| N1 | C4 | H1 | 101.8° | 110.3° |
| N1 | C8 | N2 | 110.0° | 109.9° |
| N1 | C8 | H8 | 125.0° | 125.0° |
| C4 | C3 | C2 | 97.0° | 104.1° |
| C3 | C4 | H1 | 103.9° | 110.4° |
| C4 | C3 | H14 | 115.0° | 110.5° |
| N2 | C8 | H8 | 125.0° | 125.1° |
| C3 | C2 | C1 | 98.7° | 104.1° |
| C2 | C3 | H14 | 109.0° | 110.5° |
| C3 | C2 | H22 | 108.4° | 110.5° |
| C5 | C1 | C2 | 123.7° | 110.4° |
| C1 | C5 | O2 | 100.4° | 109.5° |
| C1 | C5 | H4 | 111.7° | 109.5° |
| C1 | C5 | H5 | 111.7° | 109.4° |
| C5 | C1 | H15 | 104.1° | 110.4° |
| C2 | C1 | H15 | 107.3° | 110.4° |
| C1 | C2 | H22 | 114.2° | 110.5° |
| O2 | C5 | H4 | 111.7° | 109.5° |
| O2 | C5 | H5 | 111.7° | 109.5° |
| C5 | O2 | H35 | 109.5° | 114.0° |
| N9 | C25 | N8 | 109.4° | 110.0° |
| N9 | C25 | H26 | 125.3° | 125.1° |
| C13 | N6 | C14 | 117.4° | 111.0° |
| C13 | N6 | C15 | 108.7° | 111.0° |
| N6 | C13 | H12 | 107.4° | 109.4° |
| N6 | C13 | H13 | 107.5° | 109.5° |
| C25 | N8 | C22 | 126.9° | 126.3° |
| N8 | C25 | H26 | 125.3° | 125.0° |
| N8 | C22 | O7 | 111.3° | 110.0° |
| N8 | C22 | C21 | 110.2° | 109.9° |
| N8 | C22 | H25 | 109.7° | 109.9° |
| C22 | O7 | C19 | 93.9° | 106.9° |
| O7 | C22 | C21 | 104.0° | 107.3° |
| O7 | C22 | H25 | 108.0° | 109.9° |
| O7 | C19 | C14 | 113.9° | 110.6° |
| O7 | C19 | C20 | 106.4° | 103.5° |
| O7 | C19 | H21 | 103.9° | 110.8° |
| C22 | C21 | C20 | 104.6° | 104.2° |
| C22 | C21 | O9 | 110.4° | 110.4° |
| C22 | C21 | H24 | 114.6° | 110.6° |
| C21 | C22 | H25 | 113.5° | 109.9° |
| C14 | N6 | C15 | 104.6° | 111.0° |
| N6 | C14 | C19 | 115.3° | 109.4° |
| N6 | C14 | H2 | 108.0° | 109.4° |
| N6 | C14 | H3 | 108.0° | 109.4° |
| N6 | C15 | C16 | 108.5° | 109.5° |
| N6 | C15 | H16 | 109.7° | 109.5° |
| N6 | C15 | H17 | 109.7° | 109.5° |
| C14 | C19 | C20 | 121.5° | 110.6° |
| C19 | C14 | H2 | 108.0° | 109.5° |
| C19 | C14 | H3 | 108.0° | 109.5° |
| C14 | C19 | H21 | 103.3° | 110.6° |
| C19 | C20 | C21 | 102.4° | 102.1° |
| C19 | C20 | O8 | 118.9° | 110.9° |
| C20 | C19 | H21 | 106.1° | 110.6° |
| C19 | C20 | H23 | 111.3° | 110.9° |
| C20 | C21 | O9 | 107.9° | 110.5° |
| C21 | C20 | O8 | 106.8° | 110.9° |
| C21 | C20 | H23 | 106.6° | 111.0° |
| C20 | C21 | H24 | 107.9° | 110.5° |
| O9 | C21 | H24 | 110.9° | 110.4° |
| C21 | O9 | H40 | 109.5° | 114.0° |
| C15 | C16 | C17 | 114.6° | 109.5° |
| C16 | C15 | H16 | 109.7° | 109.5° |
| C16 | C15 | H17 | 109.7° | 109.5° |
| C15 | C16 | H18 | 108.2° | 109.5° |
| C15 | C16 | H19 | 108.2° | 109.5° |
| O8 | C20 | H23 | 109.7° | 110.8° |
| C20 | O8 | H39 | 109.5° | 114.0° |
| C16 | C17 | N7 | 114.1° | 109.5° |
| C16 | C17 | C18 | 105.2° | 109.5° |
| C17 | C16 | H18 | 108.2° | 109.4° |
| C17 | C16 | H19 | 108.1° | 109.4° |
| C16 | C17 | H20 | 107.9° | 109.5° |
| N7 | C17 | C18 | 112.0° | 109.4° |
| N7 | C17 | H20 | 109.1° | 109.5° |
| C17 | N7 | H32 | 109.5° | 111.0° |
| C17 | N7 | H33 | 109.5° | 110.9° |
| C17 | C18 | O5 | 116.5° | 120.0° |
| C17 | C18 | O6 | 120.7° | 120.0° |
| C18 | C17 | H20 | 108.3° | 109.5° |
| O5 | C18 | O6 | 122.8° | 120.0° |
| C18 | O6 | H38 | 109.5° | 117.0° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H10 | C12 | H11 | 109.5° | 109.5° |
| H12 | C13 | H13 | 109.5° | 109.5° |
| H16 | C15 | H17 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H28 | N12 | H29 | 109.5° | 120.0° |
| H32 | N7 | H33 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C9 | N3 | H9 | 180.0° | 179.2° |
| N4 | C9 | N3 | C6 | 0.4° | 0.5° |
| C9 | N4 | C10 | N5 | 179.5° | 179.5° |
| C9 | N4 | C10 | C7 | 0.0° | 0.5° |
| N3 | C9 | N4 | C10 | 0.3° | 0.7° |
| C9 | N3 | C6 | C7 | 0.2° | 0.1° |
| C9 | N3 | C6 | N1 | 177.9° | 179.7° |
| N4 | C10 | N5 | C7 | 179.5° | 180.0° |
| N4 | C10 | N5 | C11 | 156.2° | 0.0° |
| N4 | C10 | C7 | C6 | 0.2° | 0.0° |
| N4 | C10 | C7 | N2 | 179.9° | 180.0° |
| C10 | N4 | C9 | H9 | 179.7° | 179.9° |
| N4 | C10 | N5 | H30 | 34.3° | 179.9° |
| N11 | C26 | N10 | H27 | 180.0° | 180.0° |
| C26 | N11 | C27 | N12 | 180.0° | 179.8° |
| C26 | N11 | C27 | C24 | 0.6° | 0.3° |
| N11 | C26 | N10 | C23 | 0.3° | 0.1° |
| C27 | N11 | C26 | N10 | 0.4° | 0.2° |
| N11 | C27 | N12 | C24 | 179.4° | 179.9° |
| N11 | C27 | C24 | C23 | 0.6° | 0.1° |
| N11 | C27 | C24 | N9 | 179.8° | 180.0° |
| C27 | N11 | C26 | H27 | 179.6° | 179.7° |
| N11 | C27 | N12 | H28 | 0.0° | 179.9° |
| N11 | C27 | N12 | H29 | 120.0° | 0.1° |
| C26 | N10 | C23 | C24 | 0.3° | 0.3° |
| C26 | N10 | C23 | N8 | 179.6° | 180.0° |
| N3 | C6 | C7 | C10 | 0.1° | 0.2° |
| N3 | C6 | C7 | N1 | 178.6° | 179.8° |
| N3 | C6 | C7 | N2 | 179.8° | 179.8° |
| N3 | C6 | N1 | C4 | 3.2° | 0.2° |
| N3 | C6 | N1 | C8 | 179.8° | 179.7° |
| C6 | N3 | C9 | H9 | 179.6° | 179.7° |
| N12 | C27 | C24 | C23 | 180.0° | 180.0° |
| N12 | C27 | C24 | N9 | 0.4° | 0.1° |
| C27 | N12 | H28 | H29 | 120.0° | 180.0° |
| C10 | N5 | C11 | H30 | 121.9° | 180.0° |
| N5 | C10 | C7 | C6 | 179.2° | 179.9° |
| N5 | C10 | C7 | N2 | 0.4° | 0.0° |
| C10 | N5 | C11 | C12 | 115.7° | 180.0° |
| C10 | N5 | C11 | H6 | 4.5° | 60.0° |
| C10 | N5 | C11 | H7 | 124.1° | 60.0° |
| C7 | C10 | N5 | C11 | 24.4° | 180.0° |
| C10 | C7 | C6 | N2 | 179.7° | 179.9° |
| C10 | C7 | C6 | N1 | 178.7° | 180.0° |
| C10 | C7 | N2 | C8 | 179.7° | 180.0° |
| C7 | C10 | N5 | H30 | 146.3° | 0.0° |
| N5 | C11 | C12 | H6 | 120.2° | 120.0° |
| N5 | C11 | C12 | H7 | 120.2° | 120.0° |
| N5 | C11 | C12 | C13 | 163.3° | 180.0° |
| N5 | C11 | H6 | H7 | 119.4° | 120.0° |
| N5 | C11 | C12 | H10 | 42.9° | 60.0° |
| N5 | C11 | C12 | H11 | 76.3° | 60.0° |
| C27 | C24 | C23 | N10 | 0.4° | 0.2° |
| C27 | C24 | C23 | N9 | 179.7° | 179.9° |
| C27 | C24 | C23 | N8 | 179.5° | 180.0° |
| C27 | C24 | N9 | C25 | 179.4° | 179.9° |
| C24 | C27 | N12 | H28 | 179.4° | 0.0° |
| C24 | C27 | N12 | H29 | 59.5° | 180.0° |
| N10 | C23 | C24 | N8 | 179.9° | 179.7° |
| N10 | C23 | C24 | N9 | 179.9° | 179.7° |
| N10 | C23 | N8 | C25 | 179.9° | 179.6° |
| N10 | C23 | N8 | C22 | 1.2° | 0.3° |
| C23 | N10 | C26 | H27 | 179.7° | 179.9° |
| C7 | C6 | N1 | C4 | 178.5° | 180.0° |
| C7 | C6 | N1 | C8 | 1.9° | 0.0° |
| C6 | C7 | N2 | C8 | 0.7° | 0.0° |
| N1 | C6 | C7 | N2 | 1.6° | 0.0° |
| C6 | N1 | C4 | O1 | 51.8° | 159.6° |
| C6 | N1 | C4 | C8 | 176.1° | 180.0° |
| C6 | N1 | C4 | C3 | 81.1° | 85.0° |
| C6 | N1 | C8 | N2 | 1.5° | 0.0° |
| C6 | N1 | C4 | H1 | 161.3° | 37.3° |
| C6 | N1 | C8 | H8 | 178.5° | 180.0° |
| C7 | N2 | C8 | N1 | 0.5° | 0.0° |
| C7 | N2 | C8 | H8 | 179.5° | 180.0° |
| O4 | C3 | C4 | O1 | 66.1° | 94.7° |
| O4 | C3 | C2 | O3 | 3.3° | 0.0° |
| O4 | C3 | C4 | N1 | 71.9° | 24.3° |
| O4 | C3 | C4 | C2 | 113.0° | 118.6° |
| O4 | C3 | C4 | H14 | 132.2° | 122.7° |
| O4 | C3 | C2 | H14 | 121.2° | 122.6° |
| O4 | C3 | C2 | C1 | 116.2° | 118.7° |
| O4 | C3 | C4 | H1 | 171.5° | 146.5° |
| O4 | C3 | C2 | H22 | 124.5° | 122.7° |
| O1 | C4 | N1 | C3 | 132.9° | 115.4° |
| O1 | C4 | N1 | H1 | 109.5° | 122.3° |
| O1 | C4 | N1 | C8 | 124.3° | 20.5° |
| O1 | C4 | C3 | H1 | 105.4° | 118.8° |
| O1 | C4 | C3 | C2 | 46.9° | 23.9° |
| C4 | O1 | C1 | C5 | 158.5° | 159.3° |
| C4 | O1 | C1 | C2 | 65.8° | 40.5° |
| O1 | C4 | C3 | H14 | 161.7° | 142.7° |
| C4 | O1 | C1 | H15 | 46.2° | 78.4° |
| O1 | C1 | C2 | O3 | 72.8° | 94.7° |
| C1 | O1 | C4 | N1 | 148.2° | 159.4° |
| C1 | O1 | C4 | C3 | 68.7° | 40.5° |
| O1 | C1 | C2 | C3 | 42.4° | 24.0° |
| O1 | C1 | C5 | C2 | 125.2° | 115.4° |
| O1 | C1 | C5 | H15 | 112.4° | 122.3° |
| O1 | C1 | C2 | H15 | 109.9° | 118.9° |
| O1 | C1 | C5 | O2 | 78.2° | 69.6° |
| C1 | O1 | C4 | H1 | 38.6° | 78.3° |
| O1 | C1 | C5 | H4 | 40.3° | 50.4° |
| O1 | C1 | C5 | H5 | 163.2° | 170.4° |
| O1 | C1 | C2 | H22 | 157.2° | 142.6° |
| C11 | C12 | C13 | H10 | 120.4° | 120.0° |
| C11 | C12 | C13 | H11 | 120.4° | 120.0° |
| C11 | C12 | C13 | N6 | 98.8° | 180.0° |
| C12 | C11 | H6 | H7 | 119.4° | 120.0° |
| C11 | C12 | H10 | H11 | 118.8° | 120.1° |
| C11 | C12 | C13 | H12 | 22.3° | 60.0° |
| C11 | C12 | C13 | H13 | 140.0° | 60.1° |
| C12 | C11 | N5 | H30 | 122.4° | 0.0° |
| C23 | C24 | N9 | C25 | 0.2° | 0.0° |
| C24 | C23 | N8 | C25 | 0.1° | 0.0° |
| C24 | C23 | N8 | C22 | 178.7° | 180.0° |
| N9 | C24 | C23 | N8 | 0.2° | 0.0° |
| C24 | N9 | C25 | N8 | 0.1° | 0.0° |
| C24 | N9 | C25 | H26 | 179.9° | 179.9° |
| C23 | N8 | C25 | N9 | 0.0° | 0.0° |
| C23 | N8 | C25 | C22 | 178.8° | 180.0° |
| C23 | N8 | C22 | O7 | 66.1° | 157.1° |
| C23 | N8 | C22 | C21 | 179.1° | 85.0° |
| C23 | N8 | C22 | H25 | 53.4° | 36.0° |
| C23 | N8 | C25 | H26 | 180.0° | 179.9° |
| C12 | C13 | N6 | H12 | 121.1° | 120.0° |
| C12 | C13 | N6 | H13 | 121.1° | 120.0° |
| C12 | C13 | N6 | C14 | 23.8° | 170.0° |
| C12 | C13 | N6 | C15 | 142.1° | 66.0° |
| C13 | C12 | C11 | H6 | 76.5° | 60.0° |
| C13 | C12 | C11 | H7 | 43.1° | 60.0° |
| C13 | C12 | H10 | H11 | 118.8° | 119.9° |
| C12 | C13 | H12 | H13 | 116.4° | 120.0° |
| O3 | C2 | C3 | C4 | 122.7° | 118.6° |
| O3 | C2 | C3 | C1 | 119.5° | 118.7° |
| O3 | C2 | C3 | H22 | 121.2° | 122.8° |
| O3 | C2 | C1 | C5 | 56.4° | 24.1° |
| O3 | C2 | C1 | H22 | 130.0° | 122.7° |
| O3 | C2 | C3 | H14 | 117.8° | 122.7° |
| O3 | C2 | C1 | H15 | 177.3° | 146.4° |
| N1 | C4 | C3 | H1 | 116.6° | 122.2° |
| C4 | N1 | C8 | N2 | 178.4° | 180.0° |
| N1 | C4 | C3 | C2 | 175.1° | 142.9° |
| C4 | N1 | C8 | H8 | 1.6° | 0.0° |
| N1 | C4 | C3 | H14 | 60.3° | 98.4° |
| C8 | N1 | C4 | C3 | 102.8° | 95.0° |
| N1 | C8 | N2 | H8 | 180.0° | 180.0° |
| C8 | N1 | C4 | H1 | 14.8° | 142.8° |
| C4 | C3 | C2 | H14 | 119.5° | 118.7° |
| C4 | C3 | C2 | C1 | 3.1° | 0.0° |
| C4 | C3 | C2 | H22 | 116.2° | 118.6° |
| C4 | C3 | O4 | H37 | 180.0° | 180.0° |
| C3 | C2 | C1 | C5 | 171.5° | 142.8° |
| C3 | C2 | C1 | H22 | 114.9° | 118.6° |
| C2 | C3 | C4 | H1 | 58.5° | 94.9° |
| C3 | C2 | C1 | H15 | 67.6° | 94.9° |
| C3 | C2 | O3 | H36 | 180.0° | 180.0° |
| C2 | C3 | O4 | H37 | 73.2° | 65.4° |
| C5 | C1 | C2 | H15 | 121.0° | 122.3° |
| C1 | C5 | O2 | H4 | 118.5° | 120.0° |
| C1 | C5 | O2 | H5 | 118.6° | 120.0° |
| C1 | C5 | H4 | H5 | 124.3° | 120.0° |
| C5 | C1 | C2 | H22 | 73.6° | 98.6° |
| C1 | C5 | O2 | H35 | 180.0° | 180.0° |
| C2 | C1 | C5 | O2 | 156.5° | 175.0° |
| C2 | C1 | C5 | H4 | 85.0° | 64.9° |
| C2 | C1 | C5 | H5 | 38.0° | 55.0° |
| C1 | C2 | C3 | H14 | 122.7° | 118.7° |
| C1 | C2 | O3 | H36 | 70.8° | 65.4° |
| O2 | C5 | H4 | H5 | 124.2° | 120.0° |
| O2 | C5 | C1 | H15 | 34.1° | 52.7° |
| N9 | C25 | N8 | H26 | 180.0° | 179.9° |
| N9 | C25 | N8 | C22 | 178.8° | 180.0° |
| C13 | N6 | C14 | C15 | 120.5° | 124.0° |
| C13 | N6 | C14 | C19 | 93.3° | 76.2° |
| C13 | N6 | C15 | C16 | 100.6° | 163.9° |
| C13 | N6 | C14 | H2 | 27.6° | 163.8° |
| C13 | N6 | C14 | H3 | 145.9° | 43.8° |
| N6 | C13 | C12 | H10 | 140.8° | 60.0° |
| N6 | C13 | C12 | H11 | 21.5° | 60.0° |
| N6 | C13 | H12 | H13 | 116.4° | 120.0° |
| C13 | N6 | C15 | H16 | 139.5° | 43.9° |
| C13 | N6 | C15 | H17 | 19.3° | 76.1° |
| C25 | N8 | C22 | O7 | 115.3° | 23.0° |
| C25 | N8 | C22 | C21 | 0.4° | 95.0° |
| C25 | N8 | C22 | H25 | 125.3° | 144.0° |
| N8 | C22 | O7 | C21 | 118.7° | 119.5° |
| N8 | C22 | O7 | H25 | 120.4° | 121.0° |
| N8 | C22 | O7 | C19 | 67.2° | 93.0° |
| N8 | C22 | C21 | H25 | 123.5° | 121.0° |
| N8 | C22 | C21 | C20 | 84.1° | 117.5° |
| N8 | C22 | C21 | O9 | 160.0° | 123.7° |
| N8 | C22 | C21 | H24 | 33.9° | 1.2° |
| C22 | N8 | C25 | H26 | 1.2° | 0.1° |
| O7 | C22 | C21 | H25 | 117.1° | 119.4° |
| C22 | O7 | C19 | C14 | 175.8° | 158.5° |
| C22 | O7 | C19 | C20 | 47.6° | 40.0° |
| O7 | C22 | C21 | C20 | 35.3° | 2.0° |
| O7 | C22 | C21 | O9 | 80.6° | 116.7° |
| C22 | O7 | C19 | H21 | 64.1° | 78.5° |
| O7 | C22 | C21 | H24 | 153.3° | 120.8° |
| C19 | O7 | C22 | C21 | 51.5° | 26.5° |
| O7 | C19 | C14 | N6 | 20.3° | 69.3° |
| O7 | C19 | C14 | C20 | 129.4° | 114.0° |
| O7 | C19 | C14 | H21 | 112.0° | 123.1° |
| O7 | C19 | C20 | H21 | 110.2° | 118.6° |
| O7 | C19 | C20 | C21 | 29.4° | 37.0° |
| O7 | C19 | C20 | O8 | 88.0° | 81.2° |
| O7 | C19 | C14 | H2 | 100.6° | 50.7° |
| O7 | C19 | C14 | H3 | 141.2° | 170.8° |
| O7 | C19 | C20 | H23 | 142.9° | 155.3° |
| C19 | O7 | C22 | H25 | 172.4° | 145.9° |
| C22 | C21 | C20 | C19 | 5.4° | 20.9° |
| C22 | C21 | C20 | O9 | 117.6° | 118.7° |
| C22 | C21 | C20 | H24 | 122.4° | 118.8° |
| C22 | C21 | O9 | H24 | 128.2° | 122.6° |
| C22 | C21 | C20 | O8 | 131.2° | 97.3° |
| C22 | C21 | C20 | H23 | 111.5° | 139.1° |
| C22 | C21 | O9 | H40 | 180.0° | 176.2° |
| N6 | C14 | C19 | H2 | 120.9° | 120.0° |
| N6 | C14 | C19 | H3 | 120.8° | 120.0° |
| N6 | C14 | C19 | C20 | 109.0° | 176.7° |
| C14 | N6 | C15 | C16 | 133.2° | 72.2° |
| N6 | C14 | H2 | H3 | 117.3° | 119.9° |
| C14 | N6 | C13 | H12 | 97.3° | 50.0° |
| C14 | N6 | C13 | H13 | 144.9° | 70.0° |
| C14 | N6 | C15 | H16 | 13.4° | 167.8° |
| C14 | N6 | C15 | H17 | 106.9° | 47.9° |
| N6 | C14 | C19 | H21 | 132.3° | 53.8° |
| C15 | N6 | C14 | C19 | 146.2° | 159.9° |
| N6 | C15 | C16 | H16 | 119.9° | 120.0° |
| N6 | C15 | C16 | H17 | 119.9° | 120.0° |
| N6 | C15 | C16 | C17 | 136.0° | 174.6° |
| C15 | N6 | C14 | H2 | 92.9° | 39.8° |
| C15 | N6 | C14 | H3 | 25.3° | 80.1° |
| C15 | N6 | C13 | H12 | 21.0° | 173.9° |
| C15 | N6 | C13 | H13 | 96.7° | 53.9° |
| N6 | C15 | H16 | H17 | 120.4° | 120.0° |
| N6 | C15 | C16 | H18 | 103.2° | 54.7° |
| N6 | C15 | C16 | H19 | 15.3° | 65.4° |
| C14 | C19 | C20 | H21 | 117.3° | 122.9° |
| C14 | C19 | C20 | C21 | 161.9° | 155.5° |
| C14 | C19 | C20 | O8 | 44.5° | 37.3° |
| C19 | C14 | H2 | H3 | 117.3° | 120.1° |
| C14 | C19 | C20 | H23 | 84.5° | 86.2° |
| C19 | C20 | C21 | O8 | 125.8° | 118.2° |
| C19 | C20 | C21 | H23 | 117.0° | 118.2° |
| C19 | C20 | C21 | O9 | 112.2° | 139.5° |
| C19 | C20 | O8 | H23 | 129.7° | 123.6° |
| C20 | C19 | C14 | H2 | 130.1° | 63.4° |
| C20 | C19 | C14 | H3 | 11.8° | 56.7° |
| C19 | C20 | C21 | H24 | 127.9° | 97.9° |
| C19 | C20 | O8 | H39 | 180.0° | 179.9° |
| C20 | C21 | O9 | H24 | 118.0° | 122.6° |
| C21 | C20 | O8 | H23 | 115.1° | 123.7° |
| C21 | C20 | C19 | H21 | 80.8° | 81.6° |
| C20 | C21 | C22 | H25 | 152.4° | 121.4° |
| C21 | C20 | O8 | H39 | 64.9° | 67.3° |
| C20 | C21 | O9 | H40 | 66.2° | 61.4° |
| O9 | C21 | C20 | O8 | 13.6° | 21.4° |
| O9 | C21 | C20 | H23 | 130.8° | 102.3° |
| O9 | C21 | C22 | H25 | 36.6° | 2.7° |
| C15 | C16 | C17 | H18 | 120.8° | 120.0° |
| C15 | C16 | C17 | H19 | 120.7° | 120.1° |
| C15 | C16 | C17 | N7 | 27.5° | 65.0° |
| C15 | C16 | C17 | C18 | 95.7° | 175.0° |
| C16 | C15 | H16 | H17 | 120.4° | 120.0° |
| C15 | C16 | H18 | H19 | 117.7° | 120.1° |
| C15 | C16 | C17 | H20 | 148.9° | 55.0° |
| O8 | C20 | C19 | H21 | 161.8° | 160.2° |
| O8 | C20 | C21 | H24 | 106.3° | 143.9° |
| C16 | C17 | N7 | C18 | 119.5° | 120.0° |
| C16 | C17 | N7 | H20 | 120.7° | 120.0° |
| C16 | C17 | C18 | H20 | 115.2° | 120.1° |
| C16 | C17 | C18 | O5 | 38.7° | 100.0° |
| C16 | C17 | C18 | O6 | 141.2° | 80.0° |
| C17 | C16 | C15 | H16 | 16.2° | 54.6° |
| C17 | C16 | C15 | H17 | 104.1° | 65.4° |
| C17 | C16 | H18 | H19 | 117.6° | 119.9° |
| C16 | C17 | N7 | H32 | 180.0° | 60.0° |
| C16 | C17 | N7 | H33 | 60.0° | 63.9° |
| N7 | C17 | C18 | H20 | 120.3° | 120.0° |
| N7 | C17 | C18 | O5 | 163.3° | 20.0° |
| N7 | C17 | C18 | O6 | 16.7° | 160.0° |
| N7 | C17 | C16 | H18 | 93.3° | 175.0° |
| N7 | C17 | C16 | H19 | 148.3° | 55.0° |
| C17 | N7 | H32 | H33 | 120.0° | 123.8° |
| C17 | C18 | O5 | O6 | 179.9° | 180.0° |
| C18 | C17 | C16 | H18 | 143.5° | 55.0° |
| C18 | C17 | C16 | H19 | 25.0° | 64.9° |
| C18 | C17 | N7 | H32 | 60.6° | 60.1° |
| C18 | C17 | N7 | H33 | 59.5° | 176.1° |
| C17 | C18 | O6 | H38 | 179.9° | 180.0° |
| O5 | C18 | C17 | H20 | 76.4° | 140.0° |
| O5 | C18 | O6 | H38 | 0.0° | 0.0° |
| O6 | C18 | C17 | H20 | 103.6° | 40.0° |
| H1 | C4 | C3 | H14 | 56.3° | 23.8° |
| H2 | C14 | C19 | H21 | 11.5° | 173.8° |
| H3 | C14 | C19 | H21 | 106.8° | 66.2° |
| H4 | C5 | C1 | H15 | 152.6° | 172.7° |
| H4 | C5 | O2 | H35 | 61.5° | 60.0° |
| H5 | C5 | C1 | H15 | 84.4° | 67.3° |
| H5 | C5 | O2 | H35 | 61.4° | 60.0° |
| H6 | C11 | C12 | H10 | 163.1° | 60.0° |
| H6 | C11 | C12 | H11 | 43.9° | 180.0° |
| H6 | C11 | N5 | H30 | 117.4° | 120.0° |
| H7 | C11 | C12 | H10 | 77.3° | 180.0° |
| H7 | C11 | C12 | H11 | 163.5° | 60.0° |
| H7 | C11 | N5 | H30 | 2.2° | 120.0° |
| H10 | C12 | C13 | H12 | 98.1° | 180.0° |
| H10 | C12 | C13 | H13 | 19.6° | 60.0° |
| H11 | C12 | C13 | H12 | 142.7° | 60.0° |
| H11 | C12 | C13 | H13 | 99.6° | 180.0° |
| H14 | C3 | C2 | H22 | 3.4° | 0.1° |
| H14 | C3 | O4 | H37 | 46.3° | 57.3° |
| H15 | C1 | C2 | H22 | 47.3° | 23.7° |
| H16 | C15 | C16 | H18 | 136.9° | 65.3° |
| H16 | C15 | C16 | H19 | 104.6° | 174.7° |
| H17 | C15 | C16 | H18 | 16.7° | 174.7° |
| H17 | C15 | C16 | H19 | 135.2° | 54.7° |
| H18 | C16 | C17 | H20 | 28.1° | 65.0° |
| H19 | C16 | C17 | H20 | 90.4° | 175.0° |
| H20 | C17 | N7 | H32 | 59.3° | 180.0° |
| H20 | C17 | N7 | H33 | 179.3° | 56.1° |
| H21 | C19 | C20 | H23 | 32.8° | 36.6° |
| H22 | C2 | O3 | H36 | 60.6° | 57.3° |
| H23 | C20 | C21 | H24 | 10.9° | 20.3° |
| H23 | C20 | O8 | H39 | 50.3° | 56.4° |
| H24 | C21 | C22 | H25 | 89.6° | 119.8° |
| H24 | C21 | O9 | H40 | 51.8° | 61.1° |
