KIO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.38Å | 1.34Å | |
| C | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| N3 | C3 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.30Å | 1.31Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C1 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | N4 | sing | 1.36Å | 1.37Å | Aromatic |
| C26 | O7 | sing | 1.43Å | 1.42Å | |
| C26 | C25 | sing | 1.55Å | 1.53Å | |
| C26 | C5 | sing | 1.54Å | 1.54Å | |
| O6 | C25 | sing | 1.43Å | 1.42Å | |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C5 | sing | 1.47Å | 1.46Å | |
| C25 | C6 | sing | 1.54Å | 1.52Å | |
| C5 | O | sing | 1.44Å | 1.42Å | |
| C6 | O | sing | 1.44Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | N5 | sing | 1.47Å | 1.47Å | |
| N7 | C13 | sing | 1.38Å | 1.34Å | |
| C13 | N8 | doub | 1.33Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| N5 | C22 | sing | 1.47Å | 1.46Å | |
| N5 | C8 | sing | 1.47Å | 1.46Å | |
| N8 | C14 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C12 | sing | 1.35Å | 1.39Å | Aromatic |
| N6 | C11 | doub | 1.31Å | 1.32Å | Aromatic |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C12 | C15 | doub | 1.41Å | 1.39Å | Aromatic |
| N12 | C20 | sing | 1.48Å | 1.45Å | |
| N12 | C21 | sing | 1.37Å | 1.33Å | |
| C18 | N11 | sing | 1.48Å | 1.46Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| N11 | C19 | sing | 1.36Å | 1.33Å | |
| C14 | N9 | doub | 1.32Å | 1.34Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.47Å | |
| C9 | C10 | trip | 1.19Å | 1.19Å | |
| O1 | C17 | sing | 1.43Å | 1.44Å | |
| O1 | C16 | sing | 1.43Å | 1.41Å | |
| C11 | C10 | sing | 1.44Å | 1.41Å | |
| C11 | N10 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | N9 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | O2 | doub | 1.21Å | 1.23Å | |
| C21 | O3 | doub | 1.21Å | 1.23Å | |
| N10 | C16 | sing | 1.46Å | 1.46Å | |
| C17 | C23 | sing | 1.54Å | 1.54Å | |
| C16 | C24 | sing | 1.54Å | 1.53Å | |
| C23 | C24 | sing | 1.54Å | 1.55Å | |
| C23 | O4 | sing | 1.43Å | 1.42Å | |
| C24 | O5 | sing | 1.43Å | 1.42Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| O5 | H6 | sing | 0.97Å | 0.95Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| N11 | H26 | sing | 0.97Å | 1.00Å | |
| N12 | H27 | sing | 0.97Å | 1.00Å | |
| N7 | H29 | sing | 0.97Å | 1.00Å | |
| N7 | H30 | sing | 0.97Å | 1.00Å | |
| O6 | H31 | sing | 0.97Å | 0.95Å | |
| O7 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C3 | 124.0° | 120.7° |
| N | C | N1 | 118.3° | 120.8° |
| C | N | H11 | 109.5° | 120.1° |
| C | N | H12 | 109.5° | 120.0° |
| C3 | C | N1 | 117.7° | 118.4° |
| C | C3 | N3 | 132.5° | 134.7° |
| C | C3 | C2 | 116.7° | 118.2° |
| C | N1 | C1 | 118.9° | 121.2° |
| C3 | N3 | C4 | 103.8° | 109.4° |
| N3 | C3 | C2 | 110.8° | 107.1° |
| N3 | C4 | N4 | 113.9° | 110.0° |
| N3 | C4 | H9 | 123.1° | 125.0° |
| C3 | C2 | N4 | 105.6° | 106.0° |
| C3 | C2 | N2 | 126.9° | 119.1° |
| N1 | C1 | N2 | 128.8° | 122.5° |
| N1 | C1 | H5 | 115.6° | 118.7° |
| C4 | N4 | C2 | 106.0° | 107.5° |
| C4 | N4 | C5 | 127.9° | 126.2° |
| N4 | C4 | H9 | 123.1° | 125.0° |
| O7 | C26 | C25 | 112.0° | 110.5° |
| O7 | C26 | C5 | 111.3° | 110.5° |
| O7 | C26 | H25 | 111.1° | 110.4° |
| C26 | O7 | H32 | 109.5° | 114.0° |
| C25 | C26 | C5 | 103.4° | 104.1° |
| C26 | C25 | O6 | 111.0° | 110.6° |
| C26 | C25 | C6 | 102.4° | 104.0° |
| C26 | C25 | H24 | 109.9° | 110.5° |
| C25 | C26 | H25 | 109.5° | 110.5° |
| C26 | C5 | N4 | 113.3° | 110.5° |
| C26 | C5 | O | 108.0° | 104.8° |
| C26 | C5 | H7 | 107.8° | 110.4° |
| C5 | C26 | H25 | 109.4° | 110.6° |
| O6 | C25 | C6 | 111.8° | 110.5° |
| O6 | C25 | H24 | 111.4° | 110.5° |
| C25 | O6 | H31 | 109.5° | 114.0° |
| N4 | C2 | N2 | 127.5° | 135.0° |
| C2 | N4 | C5 | 125.8° | 126.2° |
| C2 | N2 | C1 | 111.1° | 120.7° |
| N2 | C1 | H5 | 115.6° | 118.8° |
| N4 | C5 | O | 109.4° | 110.4° |
| N4 | C5 | H7 | 108.8° | 110.3° |
| C25 | C6 | O | 104.2° | 104.8° |
| C25 | C6 | C7 | 112.4° | 110.3° |
| C25 | C6 | H8 | 109.8° | 110.4° |
| C6 | C25 | H24 | 110.0° | 110.6° |
| C5 | O | C6 | 107.6° | 105.3° |
| O | C5 | H7 | 109.4° | 110.4° |
| O | C6 | C7 | 109.5° | 110.4° |
| O | C6 | H8 | 111.0° | 110.4° |
| C6 | C7 | N5 | 110.2° | 109.5° |
| C6 | C7 | H1 | 109.3° | 109.5° |
| C6 | C7 | H2 | 109.3° | 109.4° |
| C7 | C6 | H8 | 109.9° | 110.3° |
| C7 | N5 | C22 | 111.4° | 111.0° |
| C7 | N5 | C8 | 114.0° | 111.0° |
| N5 | C7 | H1 | 109.3° | 109.5° |
| N5 | C7 | H2 | 109.3° | 109.5° |
| N7 | C13 | N8 | 118.4° | 120.8° |
| N7 | C13 | C12 | 123.9° | 120.8° |
| C13 | N7 | H29 | 109.5° | 120.0° |
| C13 | N7 | H30 | 109.5° | 120.0° |
| N8 | C13 | C12 | 117.7° | 118.3° |
| C13 | N8 | C14 | 118.8° | 121.2° |
| C13 | C12 | N6 | 131.8° | 134.3° |
| C13 | C12 | C15 | 116.9° | 118.2° |
| C22 | N5 | C8 | 112.1° | 111.0° |
| N5 | C22 | C21 | 111.1° | 109.5° |
| N5 | C22 | H20 | 109.1° | 109.5° |
| N5 | C22 | H21 | 109.1° | 109.5° |
| N5 | C8 | C9 | 113.6° | 109.4° |
| N5 | C8 | H3 | 108.4° | 109.5° |
| N5 | C8 | H4 | 108.4° | 109.5° |
| N8 | C14 | N9 | 128.8° | 122.5° |
| N8 | C14 | H13 | 115.6° | 118.8° |
| C12 | N6 | C11 | 103.8° | 109.4° |
| N6 | C12 | C15 | 111.2° | 107.5° |
| N6 | C11 | C10 | 124.4° | 125.1° |
| N6 | C11 | N10 | 113.4° | 109.7° |
| C22 | C21 | N12 | 115.0° | 118.6° |
| C22 | C21 | O3 | 121.4° | 120.7° |
| C21 | C22 | H20 | 109.1° | 109.5° |
| C21 | C22 | H21 | 109.1° | 109.4° |
| C12 | C15 | N9 | 126.7° | 119.0° |
| C12 | C15 | N10 | 105.7° | 106.2° |
| C20 | N12 | C21 | 121.6° | 114.5° |
| N12 | C20 | C19 | 114.2° | 108.5° |
| N12 | C20 | H18 | 108.3° | 109.7° |
| N12 | C20 | H19 | 108.3° | 109.8° |
| C20 | N12 | H27 | 119.2° | 122.7° |
| N12 | C21 | O3 | 123.6° | 120.7° |
| C21 | N12 | H27 | 119.2° | 122.8° |
| N11 | C18 | C17 | 115.2° | 109.0° |
| C18 | N11 | C19 | 122.5° | 116.1° |
| N11 | C18 | H16 | 108.0° | 109.6° |
| N11 | C18 | H17 | 108.0° | 109.5° |
| C18 | N11 | H26 | 118.7° | 121.9° |
| C18 | C17 | O1 | 109.4° | 110.0° |
| C18 | C17 | C23 | 118.0° | 109.9° |
| C18 | C17 | H15 | 107.4° | 110.1° |
| C17 | C18 | H16 | 108.0° | 109.6° |
| C17 | C18 | H17 | 108.0° | 109.5° |
| N11 | C19 | C20 | 116.2° | 118.9° |
| N11 | C19 | O2 | 123.1° | 120.6° |
| C19 | N11 | H26 | 118.8° | 122.0° |
| C14 | N9 | C15 | 111.2° | 120.7° |
| N9 | C14 | H13 | 115.6° | 118.7° |
| C8 | C9 | C10 | 174.2° | 162.8° |
| C9 | C8 | H3 | 108.5° | 109.5° |
| C9 | C8 | H4 | 108.4° | 109.5° |
| C9 | C10 | C11 | 166.9° | 161.6° |
| C17 | O1 | C16 | 106.4° | 109.1° |
| O1 | C17 | C23 | 106.0° | 107.4° |
| O1 | C17 | H15 | 108.4° | 109.6° |
| O1 | C16 | N10 | 108.6° | 110.2° |
| O1 | C16 | C24 | 105.3° | 107.4° |
| O1 | C16 | H14 | 109.0° | 109.5° |
| C10 | C11 | N10 | 122.3° | 125.2° |
| C11 | N10 | C15 | 105.9° | 107.2° |
| C11 | N10 | C16 | 129.1° | 126.5° |
| N9 | C15 | N10 | 127.6° | 134.8° |
| C15 | N10 | C16 | 124.9° | 126.2° |
| C20 | C19 | O2 | 120.7° | 120.5° |
| C19 | C20 | H18 | 108.3° | 109.6° |
| C19 | C20 | H19 | 108.3° | 109.6° |
| N10 | C16 | C24 | 118.1° | 110.1° |
| N10 | C16 | H14 | 108.2° | 109.9° |
| C17 | C23 | C24 | 104.3° | 105.2° |
| C17 | C23 | O4 | 108.1° | 110.3° |
| C23 | C17 | H15 | 107.2° | 109.8° |
| C17 | C23 | H22 | 110.2° | 110.3° |
| C16 | C24 | C23 | 102.3° | 104.7° |
| C16 | C24 | O5 | 111.0° | 110.4° |
| C24 | C16 | H14 | 107.4° | 109.7° |
| C16 | C24 | H23 | 109.9° | 110.3° |
| C24 | C23 | O4 | 112.1° | 110.3° |
| C23 | C24 | O5 | 112.1° | 110.4° |
| C24 | C23 | H22 | 110.0° | 110.4° |
| C23 | C24 | H23 | 109.6° | 110.4° |
| C23 | O4 | H10 | 109.5° | 114.0° |
| O4 | C23 | H22 | 111.9° | 110.3° |
| C24 | O5 | H6 | 109.5° | 114.0° |
| O5 | C24 | H23 | 111.5° | 110.4° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H11 | N | H12 | 109.5° | 120.0° |
| H16 | C18 | H17 | 109.5° | 109.6° |
| H18 | C20 | H19 | 109.5° | 109.6° |
| H20 | C22 | H21 | 109.4° | 109.5° |
| H29 | N7 | H30 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C3 | N1 | 178.3° | 180.0° |
| N | C | C3 | N3 | 0.2° | 0.0° |
| N | C | C3 | C2 | 178.1° | 180.0° |
| N | C | N1 | C1 | 177.9° | 180.0° |
| C | N | H11 | H12 | 120.0° | 180.0° |
| C | C3 | N3 | C2 | 178.0° | 180.0° |
| C | C3 | N3 | C4 | 178.0° | 180.0° |
| C3 | C | N1 | C1 | 0.5° | 0.0° |
| C | C3 | C2 | N4 | 178.2° | 180.0° |
| C | C3 | C2 | N2 | 0.3° | 0.0° |
| C3 | C | N | H11 | 178.2° | 0.0° |
| C3 | C | N | H12 | 61.7° | 180.0° |
| N1 | C | C3 | N3 | 178.1° | 180.0° |
| N1 | C | C3 | C2 | 0.2° | 0.0° |
| C | N1 | C1 | N2 | 0.4° | 0.0° |
| C | N1 | C1 | H5 | 179.6° | 180.0° |
| N1 | C | N | H11 | 0.0° | 180.0° |
| N1 | C | N | H12 | 120.0° | 0.0° |
| C3 | N3 | C4 | N4 | 0.1° | 0.0° |
| N3 | C3 | C2 | N4 | 0.2° | 0.0° |
| N3 | C3 | C2 | N2 | 178.1° | 180.0° |
| C3 | N3 | C4 | H9 | 179.9° | 179.9° |
| C4 | N3 | C3 | C2 | 0.1° | 0.0° |
| N3 | C4 | N4 | H9 | 180.0° | 179.9° |
| N3 | C4 | N4 | C2 | 0.2° | 0.0° |
| N3 | C4 | N4 | C5 | 174.4° | 180.0° |
| C3 | C2 | N4 | C4 | 0.3° | 0.0° |
| C3 | C2 | N4 | N2 | 177.9° | 180.0° |
| C3 | C2 | N2 | C1 | 0.3° | 0.0° |
| C3 | C2 | N4 | C5 | 174.5° | 180.0° |
| N1 | C1 | N2 | C2 | 0.0° | 0.0° |
| N1 | C1 | N2 | H5 | 180.0° | 179.9° |
| C4 | N4 | C5 | C26 | 64.2° | 91.9° |
| C4 | N4 | C2 | C5 | 174.8° | 180.0° |
| C4 | N4 | C2 | N2 | 178.1° | 180.0° |
| C4 | N4 | C5 | O | 56.4° | 23.6° |
| C4 | N4 | C5 | H7 | 175.9° | 145.8° |
| O7 | C26 | C25 | C5 | 119.9° | 118.7° |
| O7 | C26 | C25 | H25 | 123.6° | 122.5° |
| O7 | C26 | C5 | H25 | 123.1° | 122.6° |
| O7 | C26 | C25 | O6 | 23.9° | 0.0° |
| O7 | C26 | C5 | N4 | 121.8° | 98.4° |
| O7 | C26 | C25 | C6 | 95.6° | 118.7° |
| O7 | C26 | C5 | O | 116.8° | 142.7° |
| O7 | C26 | C5 | H7 | 1.3° | 23.8° |
| O7 | C26 | C25 | H24 | 147.5° | 122.7° |
| C25 | C26 | C5 | H25 | 116.5° | 118.7° |
| C26 | C25 | O6 | C6 | 113.7° | 114.7° |
| C26 | C25 | O6 | H24 | 122.8° | 122.7° |
| C25 | C26 | C5 | N4 | 117.8° | 142.9° |
| C26 | C25 | C6 | H24 | 116.8° | 118.7° |
| C25 | C26 | C5 | O | 3.6° | 24.0° |
| C26 | C25 | C6 | O | 37.1° | 24.0° |
| C26 | C25 | C6 | C7 | 155.6° | 142.9° |
| C25 | C26 | C5 | H7 | 121.7° | 94.9° |
| C26 | C25 | C6 | H8 | 81.8° | 94.9° |
| C26 | C25 | O6 | H31 | 180.0° | 65.3° |
| C25 | C26 | O7 | H32 | 180.0° | 61.4° |
| C5 | C26 | C25 | O6 | 143.7° | 118.7° |
| C26 | C5 | N4 | C2 | 109.5° | 88.1° |
| C26 | C5 | N4 | O | 120.5° | 115.5° |
| C26 | C5 | N4 | H7 | 119.9° | 122.3° |
| C5 | C26 | C25 | C6 | 24.2° | 0.0° |
| C26 | C5 | O | H7 | 117.1° | 118.8° |
| C26 | C5 | O | C6 | 20.4° | 40.5° |
| C5 | C26 | C25 | H24 | 92.6° | 118.7° |
| C5 | C26 | O7 | H32 | 64.8° | 176.1° |
| O6 | C25 | C6 | H24 | 124.3° | 122.6° |
| O6 | C25 | C6 | O | 156.0° | 142.7° |
| O6 | C25 | C6 | C7 | 85.5° | 98.4° |
| O6 | C25 | C6 | H8 | 37.1° | 23.8° |
| O6 | C25 | C26 | H25 | 99.8° | 122.5° |
| N4 | C2 | N2 | C1 | 177.8° | 180.0° |
| C2 | N4 | C5 | O | 130.0° | 156.5° |
| C2 | N4 | C5 | H7 | 10.5° | 34.2° |
| C2 | N4 | C4 | H9 | 179.8° | 179.9° |
| N2 | C2 | N4 | C5 | 3.4° | 0.1° |
| C2 | N2 | C1 | H5 | 180.0° | 180.0° |
| N4 | C5 | O | H7 | 119.2° | 122.2° |
| N4 | C5 | O | C6 | 144.1° | 159.5° |
| C5 | N4 | C4 | H9 | 5.6° | 0.0° |
| N4 | C5 | C26 | H25 | 1.3° | 24.1° |
| C25 | C6 | O | C5 | 36.3° | 40.5° |
| C25 | C6 | O | C7 | 120.5° | 118.8° |
| C25 | C6 | O | H8 | 118.1° | 118.9° |
| C25 | C6 | C7 | H8 | 122.5° | 122.3° |
| C25 | C6 | C7 | N5 | 176.3° | 178.2° |
| C25 | C6 | C7 | H1 | 56.2° | 58.1° |
| C25 | C6 | C7 | H2 | 63.6° | 61.9° |
| C6 | C25 | C26 | H25 | 140.7° | 118.8° |
| C6 | C25 | O6 | H31 | 66.3° | 180.0° |
| C5 | O | C6 | C7 | 156.8° | 159.3° |
| C5 | O | C6 | H8 | 81.8° | 78.4° |
| O | C5 | C26 | H25 | 120.1° | 94.8° |
| O | C6 | C7 | H8 | 122.1° | 122.3° |
| O | C6 | C7 | N5 | 68.3° | 66.4° |
| O | C6 | C7 | H1 | 171.6° | 173.5° |
| O | C6 | C7 | H2 | 51.8° | 53.5° |
| C6 | O | C5 | H7 | 96.7° | 78.3° |
| O | C6 | C25 | H24 | 79.7° | 94.7° |
| C6 | C7 | N5 | H1 | 120.1° | 120.0° |
| C6 | C7 | N5 | H2 | 120.1° | 119.9° |
| C6 | C7 | N5 | C22 | 151.1° | 169.6° |
| C6 | C7 | N5 | C8 | 80.8° | 66.5° |
| C6 | C7 | H1 | H2 | 119.7° | 119.9° |
| C7 | C6 | C25 | H24 | 38.8° | 24.2° |
| C7 | N5 | C22 | C8 | 129.1° | 123.9° |
| C7 | N5 | C22 | C21 | 127.2° | 19.0° |
| C7 | N5 | C8 | C9 | 80.1° | 23.8° |
| N5 | C7 | H1 | H2 | 119.6° | 120.0° |
| C7 | N5 | C8 | H3 | 40.5° | 96.2° |
| C7 | N5 | C8 | H4 | 159.3° | 143.8° |
| N5 | C7 | C6 | H8 | 53.8° | 55.9° |
| C7 | N5 | C22 | H20 | 112.6° | 139.0° |
| C7 | N5 | C22 | H21 | 6.9° | 100.9° |
| N7 | C13 | N8 | C12 | 179.4° | 179.9° |
| N7 | C13 | N8 | C14 | 179.9° | 179.9° |
| N7 | C13 | C12 | N6 | 2.5° | 0.2° |
| N7 | C13 | C12 | C15 | 179.7° | 179.8° |
| C13 | N7 | H29 | H30 | 120.0° | 179.9° |
| N8 | C13 | C12 | N6 | 176.9° | 179.8° |
| N8 | C13 | C12 | C15 | 0.3° | 0.1° |
| C13 | N8 | C14 | N9 | 0.0° | 0.2° |
| C13 | N8 | C14 | H13 | 180.0° | 179.7° |
| N8 | C13 | N7 | H29 | 0.0° | 0.1° |
| N8 | C13 | N7 | H30 | 120.0° | 180.0° |
| C12 | C13 | N8 | C14 | 0.5° | 0.1° |
| C13 | C12 | N6 | C15 | 177.3° | 179.9° |
| C13 | C12 | N6 | C11 | 176.8° | 179.4° |
| C13 | C12 | C15 | N9 | 0.3° | 0.3° |
| C13 | C12 | C15 | N10 | 177.4° | 179.4° |
| C12 | C13 | N7 | H29 | 179.4° | 180.0° |
| C12 | C13 | N7 | H30 | 59.4° | 0.1° |
| N5 | C22 | C21 | H20 | 120.3° | 120.0° |
| N5 | C22 | C21 | H21 | 120.3° | 120.0° |
| N5 | C22 | C21 | N12 | 67.1° | 155.9° |
| C22 | N5 | C8 | C9 | 152.2° | 100.1° |
| N5 | C22 | C21 | O3 | 110.4° | 23.9° |
| C22 | N5 | C7 | H1 | 88.8° | 70.4° |
| C22 | N5 | C7 | H2 | 31.0° | 49.6° |
| C22 | N5 | C8 | H3 | 87.1° | 139.9° |
| C22 | N5 | C8 | H4 | 31.7° | 19.9° |
| N5 | C22 | H20 | H21 | 119.2° | 120.1° |
| C8 | N5 | C22 | C21 | 103.8° | 104.9° |
| N5 | C8 | C9 | H3 | 120.6° | 120.0° |
| N5 | C8 | C9 | H4 | 120.6° | 120.0° |
| N5 | C8 | C9 | C10 | 92.7° | 179.1° |
| C8 | N5 | C7 | H1 | 39.3° | 53.5° |
| C8 | N5 | C7 | H2 | 159.1° | 173.6° |
| N5 | C8 | H3 | H4 | 118.1° | 120.0° |
| C8 | N5 | C22 | H20 | 16.5° | 15.1° |
| C8 | N5 | C22 | H21 | 135.9° | 135.2° |
| N8 | C14 | N9 | H13 | 180.0° | 179.9° |
| N8 | C14 | N9 | C15 | 0.6° | 0.4° |
| C12 | N6 | C11 | C10 | 178.8° | 179.4° |
| C12 | N6 | C11 | N10 | 0.5° | 0.4° |
| N6 | C12 | C15 | N9 | 178.1° | 179.7° |
| N6 | C12 | C15 | N10 | 0.3° | 0.6° |
| C11 | N6 | C12 | C15 | 0.5° | 0.6° |
| N6 | C11 | C10 | C9 | 44.7° | 79.8° |
| N6 | C11 | C10 | N10 | 179.3° | 179.8° |
| N6 | C11 | N10 | C15 | 0.3° | 0.0° |
| N6 | C11 | N10 | C16 | 176.5° | 179.5° |
| C22 | C21 | N12 | C20 | 173.2° | 179.9° |
| C22 | C21 | N12 | O3 | 177.4° | 179.9° |
| C21 | C22 | H20 | H21 | 119.2° | 119.9° |
| C22 | C21 | N12 | H27 | 6.7° | 0.1° |
| C12 | C15 | N9 | C14 | 0.7° | 0.5° |
| C12 | C15 | N10 | C11 | 0.0° | 0.4° |
| C12 | C15 | N9 | N10 | 177.3° | 179.6° |
| C12 | C15 | N10 | C16 | 176.3° | 179.2° |
| C20 | N12 | C21 | H27 | 180.0° | 179.9° |
| N12 | C20 | C19 | N11 | 8.2° | 105.7° |
| N12 | C20 | C19 | H18 | 120.7° | 119.8° |
| N12 | C20 | C19 | H19 | 120.7° | 119.9° |
| N12 | C20 | C19 | O2 | 172.2° | 74.4° |
| C20 | N12 | C21 | O3 | 4.2° | 0.1° |
| N12 | C20 | H18 | H19 | 117.8° | 120.6° |
| C21 | N12 | C20 | C19 | 111.1° | 94.4° |
| C21 | N12 | C20 | H18 | 9.7° | 145.9° |
| C21 | N12 | C20 | H19 | 128.3° | 25.3° |
| N12 | C21 | C22 | H20 | 172.6° | 35.9° |
| N12 | C21 | C22 | H21 | 53.2° | 84.1° |
| N11 | C18 | C17 | H16 | 120.8° | 119.9° |
| N11 | C18 | C17 | H17 | 120.8° | 119.8° |
| C18 | N11 | C19 | H26 | 180.0° | 180.0° |
| N11 | C18 | C17 | O1 | 99.9° | 65.2° |
| C18 | N11 | C19 | C20 | 176.4° | 179.4° |
| C18 | N11 | C19 | O2 | 4.0° | 0.6° |
| N11 | C18 | C17 | C23 | 21.4° | 176.7° |
| N11 | C18 | C17 | H15 | 142.6° | 55.6° |
| N11 | C18 | H16 | H17 | 117.4° | 120.2° |
| C17 | C18 | N11 | C19 | 111.4° | 52.6° |
| C18 | C17 | O1 | C23 | 128.3° | 119.6° |
| C18 | C17 | O1 | H15 | 116.9° | 121.1° |
| C18 | C17 | O1 | C16 | 160.9° | 143.6° |
| C18 | C17 | C23 | H15 | 121.3° | 121.2° |
| C18 | C17 | C23 | C24 | 134.0° | 132.4° |
| C18 | C17 | C23 | O4 | 106.6° | 108.7° |
| C17 | C18 | H16 | H17 | 117.4° | 120.2° |
| C18 | C17 | C23 | H22 | 16.0° | 13.4° |
| C17 | C18 | N11 | H26 | 68.6° | 127.4° |
| N11 | C19 | C20 | O2 | 179.6° | 180.0° |
| C19 | N11 | C18 | H16 | 9.4° | 67.3° |
| C19 | N11 | C18 | H17 | 127.8° | 172.4° |
| N11 | C19 | C20 | H18 | 112.5° | 134.6° |
| N11 | C19 | C20 | H19 | 128.9° | 14.2° |
| C14 | N9 | C15 | N10 | 176.6° | 179.2° |
| C8 | C9 | C10 | C11 | 165.8° | 2.0° |
| C9 | C8 | H3 | H4 | 118.1° | 120.0° |
| C9 | C10 | C11 | N10 | 134.6° | 99.9° |
| C10 | C9 | C8 | H3 | 146.7° | 59.1° |
| C10 | C9 | C8 | H4 | 27.9° | 60.9° |
| C17 | O1 | C16 | N10 | 168.6° | 145.6° |
| O1 | C17 | C23 | H15 | 115.7° | 119.1° |
| C17 | O1 | C16 | C24 | 41.2° | 25.6° |
| O1 | C17 | C23 | C24 | 11.0° | 12.7° |
| O1 | C17 | C23 | O4 | 130.4° | 131.6° |
| C17 | O1 | C16 | H14 | 73.7° | 93.5° |
| O1 | C17 | C18 | H16 | 139.3° | 174.9° |
| O1 | C17 | C18 | H17 | 21.0° | 54.6° |
| O1 | C17 | C23 | H22 | 107.0° | 106.3° |
| O1 | C16 | N10 | C11 | 76.0° | 40.9° |
| O1 | C16 | N10 | C15 | 99.4° | 139.6° |
| O1 | C16 | N10 | C24 | 119.7° | 118.3° |
| O1 | C16 | N10 | H14 | 118.2° | 120.7° |
| C16 | O1 | C17 | C23 | 32.6° | 24.1° |
| O1 | C16 | C24 | H14 | 116.0° | 118.9° |
| O1 | C16 | C24 | C23 | 32.4° | 16.5° |
| O1 | C16 | C24 | O5 | 152.2° | 135.3° |
| C16 | O1 | C17 | H15 | 82.2° | 95.2° |
| O1 | C16 | C24 | H23 | 84.0° | 102.3° |
| C10 | C11 | N10 | C15 | 179.0° | 179.8° |
| C10 | C11 | N10 | C16 | 2.9° | 0.3° |
| C11 | N10 | C15 | N9 | 177.7° | 179.9° |
| C11 | N10 | C15 | C16 | 176.3° | 179.6° |
| C11 | N10 | C16 | C24 | 43.7° | 159.3° |
| C11 | N10 | C16 | H14 | 165.8° | 79.8° |
| N9 | C15 | N10 | C16 | 1.4° | 0.5° |
| C15 | N9 | C14 | H13 | 179.4° | 179.5° |
| C15 | N10 | C16 | C24 | 140.9° | 21.2° |
| C15 | N10 | C16 | H14 | 18.7° | 99.7° |
| C19 | C20 | H18 | H19 | 117.9° | 120.3° |
| C20 | C19 | N11 | H26 | 3.6° | 0.6° |
| C19 | C20 | N12 | H27 | 68.9° | 85.6° |
| O2 | C19 | C20 | H18 | 67.1° | 45.4° |
| O2 | C19 | C20 | H19 | 51.5° | 165.8° |
| O2 | C19 | N11 | H26 | 176.0° | 179.4° |
| O3 | C21 | C22 | H20 | 9.9° | 144.0° |
| O3 | C21 | C22 | H21 | 129.3° | 96.1° |
| O3 | C21 | N12 | H27 | 175.8° | 180.0° |
| N10 | C16 | C24 | H14 | 122.6° | 121.1° |
| N10 | C16 | C24 | C23 | 153.8° | 136.5° |
| N10 | C16 | C24 | O5 | 86.4° | 104.6° |
| N10 | C16 | C24 | H23 | 37.4° | 17.7° |
| C17 | C23 | C24 | C16 | 12.3° | 2.2° |
| C17 | C23 | C24 | O4 | 116.7° | 118.9° |
| C17 | C23 | C24 | H22 | 118.1° | 119.0° |
| C17 | C23 | O4 | H22 | 121.5° | 122.1° |
| C17 | C23 | C24 | O5 | 131.3° | 121.1° |
| C17 | C23 | O4 | H10 | 180.0° | 180.0° |
| C23 | C17 | C18 | H16 | 99.4° | 56.8° |
| C23 | C17 | C18 | H17 | 142.2° | 63.5° |
| C17 | C23 | C24 | H23 | 104.3° | 116.6° |
| C16 | C24 | C23 | O5 | 119.0° | 118.9° |
| C16 | C24 | C23 | H23 | 116.6° | 118.7° |
| C16 | C24 | C23 | O4 | 104.5° | 116.7° |
| C16 | C24 | O5 | H23 | 122.9° | 122.3° |
| C16 | C24 | O5 | H6 | 180.0° | 180.0° |
| C16 | C24 | C23 | H22 | 130.4° | 121.1° |
| C24 | C23 | O4 | H22 | 124.1° | 122.2° |
| C23 | C24 | O5 | H23 | 123.4° | 122.3° |
| C23 | C24 | O5 | H6 | 66.2° | 64.7° |
| C24 | C23 | O4 | H10 | 65.6° | 64.2° |
| C23 | C24 | C16 | H14 | 83.6° | 102.4° |
| C24 | C23 | C17 | H15 | 104.7° | 106.4° |
| O4 | C23 | C24 | O5 | 14.5° | 2.1° |
| O4 | C23 | C17 | H15 | 14.7° | 12.6° |
| O4 | C23 | C24 | H23 | 138.9° | 124.5° |
| O5 | C24 | C16 | H14 | 36.1° | 16.4° |
| O5 | C24 | C23 | H22 | 110.6° | 120.0° |
| H1 | C7 | C6 | H8 | 66.3° | 64.2° |
| H2 | C7 | C6 | H8 | 173.9° | 175.8° |
| H6 | O5 | C24 | H23 | 57.1° | 57.7° |
| H7 | C5 | C26 | H25 | 121.8° | 146.4° |
| H8 | C6 | C25 | H24 | 161.4° | 146.4° |
| H10 | O4 | C23 | H22 | 58.5° | 58.0° |
| H14 | C16 | C24 | H23 | 159.9° | 138.8° |
| H15 | C17 | C18 | H16 | 21.8° | 64.3° |
| H15 | C17 | C18 | H17 | 96.6° | 175.4° |
| H15 | C17 | C23 | H22 | 137.3° | 134.6° |
| H16 | C18 | N11 | H26 | 170.5° | 112.7° |
| H17 | C18 | N11 | H26 | 52.2° | 7.6° |
| H18 | C20 | N12 | H27 | 170.4° | 34.1° |
| H19 | C20 | N12 | H27 | 51.8° | 154.6° |
| H22 | C23 | C24 | H23 | 13.8° | 2.4° |
| H24 | C25 | C26 | H25 | 23.9° | 0.1° |
| H24 | C25 | O6 | H31 | 57.2° | 57.3° |
| H25 | C26 | O7 | H32 | 57.3° | 61.2° |
