KGI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C24 | sing | 1.38Å | 1.34Å | |
| N9 | C21 | sing | 1.35Å | 1.39Å | Aromatic |
| N9 | C20 | doub | 1.30Å | 1.31Å | Aromatic |
| C24 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C20 | N8 | sing | 1.36Å | 1.37Å | Aromatic |
| N11 | C23 | doub | 1.32Å | 1.34Å | Aromatic |
| O5 | C18 | sing | 1.43Å | 1.42Å | |
| C18 | C19 | sing | 1.54Å | 1.54Å | |
| C18 | C17 | sing | 1.54Å | 1.54Å | |
| O6 | C19 | sing | 1.43Å | 1.42Å | |
| C22 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C22 | N10 | doub | 1.33Å | 1.34Å | Aromatic |
| N8 | C17 | sing | 1.47Å | 1.46Å | |
| C19 | C16 | sing | 1.55Å | 1.52Å | |
| C23 | N10 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | O4 | sing | 1.44Å | 1.42Å | |
| O4 | C16 | sing | 1.44Å | 1.44Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | N7 | sing | 1.47Å | 1.47Å | |
| N6 | C11 | sing | 1.38Å | 1.34Å | |
| C11 | N5 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| N7 | C25 | sing | 1.47Å | 1.46Å | |
| N7 | C14 | sing | 1.47Å | 1.46Å | |
| N5 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| N3 | C8 | sing | 1.35Å | 1.39Å | Aromatic |
| N3 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C8 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| O7 | C26 | doub | 1.21Å | 1.31Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C10 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C7 | C12 | sing | 1.43Å | 1.43Å | |
| C7 | N2 | sing | 1.37Å | 1.39Å | Aromatic |
| C26 | O8 | sing | 1.34Å | 1.22Å | |
| C13 | C12 | trip | 1.17Å | 1.19Å | |
| C13 | C14 | sing | 1.47Å | 1.47Å | |
| C9 | N4 | sing | 1.33Å | 1.33Å | Aromatic |
| C9 | N2 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O1 | C3 | sing | 1.44Å | 1.44Å | |
| O1 | C4 | sing | 1.44Å | 1.42Å | |
| N2 | C4 | sing | 1.46Å | 1.46Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| C3 | C6 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| C1 | O | doub | 1.21Å | 1.23Å | |
| C1 | C | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| C5 | O2 | sing | 1.43Å | 1.42Å | |
| C6 | O3 | sing | 1.43Å | 1.42Å | |
| C | N | sing | 1.47Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| O3 | H7 | sing | 0.97Å | 0.95Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.08Å | 1.08Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| N12 | H28 | sing | 0.97Å | 1.00Å | |
| N12 | H29 | sing | 0.97Å | 1.00Å | |
| N6 | H30 | sing | 0.97Å | 1.00Å | |
| N6 | H31 | sing | 0.97Å | 1.00Å | |
| O2 | H33 | sing | 0.97Å | 0.95Å | |
| O6 | H34 | sing | 0.97Å | 0.95Å | |
| O8 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C24 | C21 | 123.9° | 120.8° |
| N12 | C24 | N11 | 118.3° | 120.8° |
| C24 | N12 | H28 | 109.5° | 120.0° |
| C24 | N12 | H29 | 109.5° | 120.0° |
| C21 | N9 | C20 | 103.8° | 109.4° |
| N9 | C21 | C24 | 132.5° | 134.7° |
| N9 | C21 | C22 | 110.7° | 107.2° |
| N9 | C20 | N8 | 113.9° | 110.0° |
| N9 | C20 | H24 | 123.0° | 125.0° |
| C21 | C24 | N11 | 117.7° | 118.5° |
| C24 | C21 | C22 | 116.8° | 118.1° |
| C24 | N11 | C23 | 118.8° | 121.2° |
| C21 | C22 | N8 | 105.6° | 106.0° |
| C21 | C22 | N10 | 126.7° | 119.1° |
| C20 | N8 | C22 | 106.0° | 107.4° |
| C20 | N8 | C17 | 127.1° | 126.2° |
| N8 | C20 | H24 | 123.1° | 125.0° |
| N11 | C23 | N10 | 128.9° | 122.5° |
| N11 | C23 | H25 | 115.6° | 118.8° |
| O5 | C18 | C19 | 112.4° | 110.5° |
| O5 | C18 | C17 | 110.2° | 110.5° |
| C18 | O5 | H2 | 109.5° | 114.0° |
| O5 | C18 | H22 | 111.3° | 110.4° |
| C19 | C18 | C17 | 103.4° | 104.1° |
| C18 | C19 | O6 | 111.3° | 110.5° |
| C18 | C19 | C16 | 102.4° | 104.0° |
| C19 | C18 | H22 | 109.6° | 110.5° |
| C18 | C19 | H23 | 109.5° | 110.6° |
| C18 | C17 | N8 | 113.7° | 110.5° |
| C18 | C17 | O4 | 107.3° | 104.8° |
| C18 | C17 | H21 | 108.0° | 110.4° |
| C17 | C18 | H22 | 109.6° | 110.6° |
| O6 | C19 | C16 | 112.3° | 110.5° |
| O6 | C19 | H23 | 111.2° | 110.6° |
| C19 | O6 | H34 | 109.5° | 114.0° |
| N8 | C22 | N10 | 127.7° | 134.9° |
| C22 | N8 | C17 | 126.8° | 126.3° |
| C22 | N10 | C23 | 111.1° | 120.6° |
| N8 | C17 | O4 | 109.3° | 110.4° |
| N8 | C17 | H21 | 109.0° | 110.3° |
| C19 | C16 | O4 | 103.1° | 104.8° |
| C19 | C16 | C15 | 117.5° | 110.4° |
| C19 | C16 | H20 | 108.3° | 110.4° |
| C16 | C19 | H23 | 109.7° | 110.4° |
| N10 | C23 | H25 | 115.6° | 118.8° |
| C17 | O4 | C16 | 106.7° | 105.3° |
| O4 | C17 | H21 | 109.6° | 110.4° |
| O4 | C16 | C15 | 110.0° | 110.4° |
| O4 | C16 | H20 | 109.3° | 110.3° |
| C16 | C15 | N7 | 112.5° | 109.5° |
| C16 | C15 | H18 | 108.7° | 109.4° |
| C16 | C15 | H19 | 108.7° | 109.4° |
| C15 | C16 | H20 | 108.3° | 110.3° |
| C15 | N7 | C25 | 113.1° | 111.0° |
| C15 | N7 | C14 | 116.7° | 111.0° |
| N7 | C15 | H18 | 108.7° | 109.5° |
| N7 | C15 | H19 | 108.7° | 109.5° |
| N6 | C11 | N5 | 118.5° | 120.8° |
| N6 | C11 | C8 | 123.7° | 120.8° |
| C11 | N6 | H30 | 109.5° | 120.0° |
| C11 | N6 | H31 | 109.5° | 120.0° |
| N5 | C11 | C8 | 117.8° | 118.4° |
| C11 | N5 | C10 | 118.7° | 121.2° |
| C11 | C8 | N3 | 131.9° | 134.4° |
| C11 | C8 | C9 | 116.7° | 118.1° |
| C25 | N7 | C14 | 111.8° | 111.0° |
| N7 | C25 | C26 | 120.0° | 109.5° |
| N7 | C25 | H26 | 106.8° | 109.5° |
| N7 | C25 | H27 | 106.8° | 109.5° |
| N7 | C14 | C13 | 115.3° | 109.4° |
| N7 | C14 | H16 | 108.0° | 109.5° |
| N7 | C14 | H17 | 108.0° | 109.5° |
| N5 | C10 | N4 | 128.8° | 122.4° |
| N5 | C10 | H15 | 115.6° | 118.7° |
| C8 | N3 | C7 | 104.0° | 109.4° |
| N3 | C8 | C9 | 111.4° | 107.5° |
| N3 | C7 | C12 | 124.2° | 125.2° |
| N3 | C7 | N2 | 113.0° | 109.6° |
| C8 | C9 | N4 | 126.8° | 119.1° |
| C8 | C9 | N2 | 105.3° | 106.2° |
| O7 | C26 | C25 | 116.3° | 120.0° |
| O7 | C26 | O8 | 122.8° | 120.0° |
| C25 | C26 | O8 | 120.9° | 120.0° |
| C26 | C25 | H26 | 106.8° | 109.5° |
| C26 | C25 | H27 | 106.8° | 109.5° |
| C10 | N4 | C9 | 111.2° | 120.7° |
| N4 | C10 | H15 | 115.6° | 118.8° |
| C12 | C7 | N2 | 122.8° | 125.2° |
| C7 | C12 | C13 | 170.3° | 180.0° |
| C7 | N2 | C9 | 106.3° | 107.3° |
| C7 | N2 | C4 | 128.6° | 126.4° |
| C26 | O8 | H35 | 109.5° | 117.0° |
| C12 | C13 | C14 | 176.6° | 180.0° |
| C13 | C14 | H16 | 108.0° | 109.4° |
| C13 | C14 | H17 | 108.0° | 109.4° |
| N4 | C9 | N2 | 127.9° | 134.7° |
| C9 | N2 | C4 | 125.1° | 126.3° |
| N1 | C2 | C3 | 119.7° | 109.5° |
| C2 | N1 | C1 | 124.7° | 120.0° |
| C2 | N1 | H1 | 117.6° | 120.0° |
| N1 | C2 | H8 | 106.8° | 109.4° |
| N1 | C2 | H9 | 106.8° | 109.5° |
| C2 | C3 | O1 | 104.1° | 110.3° |
| C2 | C3 | C6 | 120.6° | 110.4° |
| C2 | C3 | H6 | 108.5° | 110.4° |
| C3 | C2 | H8 | 106.9° | 109.5° |
| C3 | C2 | H9 | 106.9° | 109.5° |
| C3 | O1 | C4 | 109.6° | 105.2° |
| O1 | C3 | C6 | 105.2° | 104.8° |
| O1 | C3 | H6 | 109.5° | 110.4° |
| O1 | C4 | N2 | 109.9° | 110.3° |
| O1 | C4 | C5 | 106.8° | 104.8° |
| O1 | C4 | H5 | 108.6° | 110.4° |
| N2 | C4 | C5 | 116.1° | 110.4° |
| N2 | C4 | H5 | 108.0° | 110.4° |
| N1 | C1 | O | 124.3° | 120.0° |
| N1 | C1 | C | 112.7° | 120.0° |
| C1 | N1 | H1 | 117.7° | 120.0° |
| C3 | C6 | C5 | 102.5° | 104.1° |
| C3 | C6 | O3 | 109.2° | 110.6° |
| C3 | C6 | H4 | 111.0° | 110.6° |
| C6 | C3 | H6 | 108.3° | 110.4° |
| C4 | C5 | C6 | 100.0° | 104.0° |
| C4 | C5 | O2 | 109.5° | 110.4° |
| C4 | C5 | H3 | 110.6° | 110.6° |
| C5 | C4 | H5 | 107.3° | 110.5° |
| O | C1 | C | 123.0° | 120.0° |
| C1 | C | N | 110.2° | 109.4° |
| C1 | C | H13 | 109.3° | 109.5° |
| C1 | C | H14 | 109.3° | 109.5° |
| C6 | C5 | O2 | 113.3° | 110.5° |
| C5 | C6 | O3 | 109.6° | 110.5° |
| C6 | C5 | H3 | 110.6° | 110.6° |
| C5 | C6 | H4 | 111.2° | 110.5° |
| O2 | C5 | H3 | 112.2° | 110.5° |
| C5 | O2 | H33 | 109.5° | 113.9° |
| O3 | C6 | H4 | 112.8° | 110.5° |
| C6 | O3 | H7 | 109.5° | 114.0° |
| C | N | H10 | 109.5° | 111.0° |
| C | N | H11 | 109.5° | 111.0° |
| N | C | H13 | 109.3° | 109.5° |
| N | C | H14 | 109.3° | 109.5° |
| H8 | C2 | H9 | 109.5° | 109.5° |
| H10 | N | H11 | 109.5° | 111.0° |
| H13 | C | H14 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H18 | C15 | H19 | 109.4° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H28 | N12 | H29 | 109.5° | 120.1° |
| H30 | N6 | H31 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C24 | C21 | N9 | 2.4° | 0.5° |
| N12 | C24 | C21 | N11 | 180.0° | 180.0° |
| N12 | C24 | C21 | C22 | 179.6° | 180.0° |
| N12 | C24 | N11 | C23 | 179.4° | 179.9° |
| C24 | N12 | H28 | H29 | 120.0° | 180.0° |
| N9 | C21 | C24 | C22 | 178.0° | 179.4° |
| N9 | C21 | C24 | N11 | 177.7° | 179.5° |
| C21 | N9 | C20 | N8 | 0.2° | 0.0° |
| N9 | C21 | C22 | N8 | 0.7° | 0.4° |
| N9 | C21 | C22 | N10 | 178.8° | 179.6° |
| C21 | N9 | C20 | H24 | 179.8° | 179.8° |
| C20 | N9 | C21 | C24 | 177.8° | 179.7° |
| C20 | N9 | C21 | C22 | 0.3° | 0.3° |
| N9 | C20 | N8 | H24 | 180.0° | 179.7° |
| N9 | C20 | N8 | C22 | 0.7° | 0.3° |
| N9 | C20 | N8 | C17 | 175.0° | 179.7° |
| C21 | C24 | N11 | C23 | 0.6° | 0.1° |
| C24 | C21 | C22 | N8 | 177.7° | 180.0° |
| C24 | C21 | C22 | N10 | 0.4° | 0.0° |
| C21 | C24 | N12 | H28 | 180.0° | 0.0° |
| C21 | C24 | N12 | H29 | 60.0° | 180.0° |
| N11 | C24 | C21 | C22 | 0.4° | 0.0° |
| C24 | N11 | C23 | N10 | 0.1° | 0.1° |
| C24 | N11 | C23 | H25 | 179.9° | 179.9° |
| N11 | C24 | N12 | H28 | 0.0° | 179.9° |
| N11 | C24 | N12 | H29 | 120.0° | 0.0° |
| C21 | C22 | N8 | C20 | 0.8° | 0.4° |
| C21 | C22 | N8 | N10 | 178.1° | 179.9° |
| C21 | C22 | N8 | C17 | 174.9° | 179.6° |
| C21 | C22 | N10 | C23 | 0.8° | 0.1° |
| C20 | N8 | C17 | C18 | 60.6° | 91.9° |
| C20 | N8 | C22 | C17 | 175.7° | 180.0° |
| C20 | N8 | C22 | N10 | 178.9° | 179.6° |
| C20 | N8 | C17 | O4 | 59.2° | 23.6° |
| C20 | N8 | C17 | H21 | 178.9° | 145.8° |
| N11 | C23 | N10 | C22 | 0.6° | 0.1° |
| N11 | C23 | N10 | H25 | 180.0° | 179.9° |
| O5 | C18 | C19 | C17 | 118.9° | 118.6° |
| O5 | C18 | C19 | H22 | 124.4° | 122.6° |
| O5 | C18 | C17 | H22 | 122.8° | 122.6° |
| O5 | C18 | C19 | O6 | 23.2° | 0.0° |
| O5 | C18 | C17 | N8 | 116.7° | 98.5° |
| O5 | C18 | C19 | C16 | 97.0° | 118.7° |
| O5 | C18 | C17 | O4 | 122.4° | 142.6° |
| O5 | C18 | C17 | H21 | 4.3° | 23.8° |
| O5 | C18 | C19 | H23 | 146.6° | 122.8° |
| C19 | C18 | C17 | H22 | 116.8° | 118.7° |
| C18 | C19 | O6 | C16 | 114.2° | 114.6° |
| C18 | C19 | O6 | H23 | 122.4° | 122.8° |
| C19 | C18 | C17 | N8 | 122.9° | 142.9° |
| C18 | C19 | C16 | H23 | 116.2° | 118.7° |
| C19 | C18 | C17 | O4 | 2.0° | 24.0° |
| C18 | C19 | C16 | O4 | 38.4° | 23.9° |
| C18 | C19 | C16 | C15 | 159.6° | 142.8° |
| C19 | C18 | O5 | H2 | 180.0° | 61.4° |
| C18 | C19 | C16 | H20 | 77.4° | 94.9° |
| C19 | C18 | C17 | H21 | 116.0° | 94.9° |
| C18 | C19 | O6 | H34 | 180.0° | 61.5° |
| C17 | C18 | C19 | O6 | 142.1° | 118.6° |
| C18 | C17 | N8 | C22 | 114.2° | 88.1° |
| C18 | C17 | N8 | O4 | 119.8° | 115.5° |
| C18 | C17 | N8 | H21 | 120.5° | 122.3° |
| C17 | C18 | C19 | C16 | 21.8° | 0.0° |
| C18 | C17 | O4 | H21 | 117.0° | 118.9° |
| C18 | C17 | O4 | C16 | 27.1° | 40.5° |
| C17 | C18 | O5 | H2 | 65.2° | 176.1° |
| C17 | C18 | C19 | H23 | 94.5° | 118.6° |
| O6 | C19 | C16 | H23 | 124.2° | 122.7° |
| O6 | C19 | C16 | O4 | 158.0° | 142.6° |
| O6 | C19 | C16 | C15 | 80.8° | 98.5° |
| O6 | C19 | C16 | H20 | 42.2° | 23.8° |
| O6 | C19 | C18 | H22 | 101.1° | 122.6° |
| N8 | C22 | N10 | C23 | 176.9° | 180.0° |
| C22 | N8 | C17 | O4 | 126.0° | 156.4° |
| C22 | N8 | C17 | H21 | 6.3° | 34.2° |
| C22 | N8 | C20 | H24 | 179.3° | 180.0° |
| N10 | C22 | N8 | C17 | 3.2° | 0.3° |
| C22 | N10 | C23 | H25 | 179.4° | 179.9° |
| N8 | C17 | O4 | H21 | 119.3° | 122.2° |
| N8 | C17 | O4 | C16 | 150.8° | 159.4° |
| N8 | C17 | C18 | H22 | 6.1° | 24.2° |
| C17 | N8 | C20 | H24 | 5.0° | 0.0° |
| C19 | C16 | O4 | C17 | 41.4° | 40.4° |
| C19 | C16 | O4 | C15 | 126.1° | 118.9° |
| C19 | C16 | O4 | H20 | 115.0° | 118.9° |
| C19 | C16 | C15 | H20 | 123.0° | 122.3° |
| C19 | C16 | C15 | N7 | 179.5° | 176.1° |
| C19 | C16 | C15 | H18 | 59.0° | 56.1° |
| C19 | C16 | C15 | H19 | 60.1° | 63.9° |
| C16 | C19 | C18 | H22 | 138.6° | 118.8° |
| C16 | C19 | O6 | H34 | 65.8° | 176.1° |
| C17 | O4 | C16 | C15 | 167.5° | 159.3° |
| C17 | O4 | C16 | H20 | 73.6° | 78.4° |
| O4 | C17 | C18 | H22 | 114.8° | 94.8° |
| O4 | C16 | C15 | H20 | 119.5° | 122.2° |
| O4 | C16 | C15 | N7 | 63.0° | 68.5° |
| O4 | C16 | C15 | H18 | 176.6° | 171.5° |
| O4 | C16 | C15 | H19 | 57.5° | 51.5° |
| C16 | O4 | C17 | H21 | 89.9° | 78.4° |
| O4 | C16 | C19 | H23 | 77.8° | 94.7° |
| C16 | C15 | N7 | H18 | 120.4° | 120.0° |
| C16 | C15 | N7 | H19 | 120.5° | 120.0° |
| C16 | C15 | N7 | C25 | 146.7° | 73.4° |
| C16 | C15 | N7 | C14 | 81.5° | 162.7° |
| C16 | C15 | H18 | H19 | 118.6° | 120.0° |
| C15 | C16 | C19 | H23 | 43.3° | 24.2° |
| C15 | N7 | C25 | C14 | 134.1° | 123.9° |
| C15 | N7 | C25 | C26 | 73.9° | 58.0° |
| C15 | N7 | C14 | C13 | 75.6° | 172.5° |
| C15 | N7 | C14 | H16 | 45.2° | 67.6° |
| C15 | N7 | C14 | H17 | 163.5° | 52.5° |
| N7 | C15 | H18 | H19 | 118.6° | 120.1° |
| N7 | C15 | C16 | H20 | 56.5° | 53.7° |
| C15 | N7 | C25 | H26 | 47.6° | 178.1° |
| C15 | N7 | C25 | H27 | 164.6° | 62.0° |
| N6 | C11 | N5 | C8 | 180.0° | 180.0° |
| N6 | C11 | N5 | C10 | 179.6° | 180.0° |
| N6 | C11 | C8 | N3 | 1.8° | 0.0° |
| N6 | C11 | C8 | C9 | 179.8° | 180.0° |
| C11 | N6 | H30 | H31 | 120.0° | 179.9° |
| N5 | C11 | C8 | N3 | 178.2° | 179.9° |
| N5 | C11 | C8 | C9 | 0.2° | 0.0° |
| C11 | N5 | C10 | N4 | 0.2° | 0.0° |
| C11 | N5 | C10 | H15 | 179.8° | 180.0° |
| N5 | C11 | N6 | H30 | 0.0° | 0.1° |
| N5 | C11 | N6 | H31 | 120.0° | 180.0° |
| C8 | C11 | N5 | C10 | 0.4° | 0.0° |
| C11 | C8 | N3 | C9 | 178.4° | 179.9° |
| C11 | C8 | N3 | C7 | 177.9° | 179.5° |
| C11 | C8 | C9 | N4 | 0.4° | 0.0° |
| C11 | C8 | C9 | N2 | 178.6° | 179.7° |
| C8 | C11 | N6 | H30 | 180.0° | 180.0° |
| C8 | C11 | N6 | H31 | 60.0° | 0.0° |
| N7 | C25 | C26 | O7 | 7.7° | 3.6° |
| N7 | C25 | C26 | H26 | 121.5° | 120.0° |
| N7 | C25 | C26 | H27 | 121.5° | 120.0° |
| N7 | C25 | C26 | O8 | 172.4° | 176.4° |
| C25 | N7 | C14 | C13 | 152.0° | 63.7° |
| C25 | N7 | C14 | H16 | 87.2° | 56.3° |
| C25 | N7 | C14 | H17 | 31.1° | 176.4° |
| C25 | N7 | C15 | H18 | 92.8° | 166.7° |
| C25 | N7 | C15 | H19 | 26.2° | 46.6° |
| N7 | C25 | H26 | H27 | 115.3° | 120.0° |
| C14 | N7 | C25 | C26 | 60.3° | 65.8° |
| N7 | C14 | C13 | C12 | 88.2° | 75.7° |
| N7 | C14 | C13 | H16 | 120.9° | 120.0° |
| N7 | C14 | C13 | H17 | 120.8° | 120.0° |
| N7 | C14 | H16 | H17 | 117.4° | 120.1° |
| C14 | N7 | C15 | H18 | 39.0° | 42.8° |
| C14 | N7 | C15 | H19 | 158.0° | 77.3° |
| C14 | N7 | C25 | H26 | 178.3° | 54.2° |
| C14 | N7 | C25 | H27 | 61.2° | 174.1° |
| N5 | C10 | N4 | H15 | 180.0° | 180.0° |
| N5 | C10 | N4 | C9 | 0.3° | 0.0° |
| C8 | N3 | C7 | C12 | 178.4° | 179.8° |
| C8 | N3 | C7 | N2 | 0.7° | 0.4° |
| N3 | C8 | C9 | N4 | 179.0° | 180.0° |
| N3 | C8 | C9 | N2 | 0.1° | 0.2° |
| C7 | N3 | C8 | C9 | 0.5° | 0.4° |
| N3 | C7 | C12 | N2 | 179.0° | 179.7° |
| N3 | C7 | C12 | C13 | 4.5° | 3.7° |
| N3 | C7 | N2 | C9 | 0.7° | 0.3° |
| N3 | C7 | N2 | C4 | 178.2° | 179.8° |
| C8 | C9 | N4 | C10 | 0.5° | 0.1° |
| C8 | C9 | N2 | C7 | 0.3° | 0.0° |
| C8 | C9 | N4 | N2 | 178.7° | 179.7° |
| C8 | C9 | N2 | C4 | 178.6° | 180.0° |
| O7 | C26 | C25 | O8 | 179.8° | 180.0° |
| O7 | C26 | C25 | H26 | 113.7° | 116.4° |
| O7 | C26 | C25 | H27 | 129.2° | 123.6° |
| O7 | C26 | O8 | H35 | 0.0° | 0.0° |
| C26 | C25 | H26 | H27 | 115.3° | 120.0° |
| C25 | C26 | O8 | H35 | 179.8° | 180.0° |
| C10 | N4 | C9 | N2 | 178.1° | 179.6° |
| C7 | C12 | C13 | C14 | 165.6° | 167.7° |
| C12 | C7 | N2 | C9 | 178.4° | 180.0° |
| C12 | C7 | N2 | C4 | 2.7° | 0.0° |
| N2 | C7 | C12 | C13 | 176.5° | 176.6° |
| C7 | N2 | C9 | N4 | 178.6° | 179.7° |
| C7 | N2 | C9 | C4 | 178.9° | 179.9° |
| C7 | N2 | C4 | O1 | 71.9° | 43.6° |
| C7 | N2 | C4 | C5 | 49.4° | 71.7° |
| C7 | N2 | C4 | H5 | 169.8° | 165.8° |
| O8 | C26 | C25 | H26 | 66.1° | 63.6° |
| O8 | C26 | C25 | H27 | 51.0° | 56.4° |
| C12 | C13 | C14 | H16 | 150.9° | 164.3° |
| C12 | C13 | C14 | H17 | 32.6° | 44.3° |
| C13 | C14 | H16 | H17 | 117.3° | 119.9° |
| N4 | C9 | N2 | C4 | 2.5° | 0.2° |
| C9 | N4 | C10 | H15 | 179.7° | 180.0° |
| C9 | N2 | C4 | O1 | 109.5° | 136.5° |
| C9 | N2 | C4 | C5 | 129.3° | 108.2° |
| C9 | N2 | C4 | H5 | 8.8° | 14.3° |
| N1 | C2 | C3 | H8 | 121.4° | 120.0° |
| N1 | C2 | C3 | H9 | 121.4° | 120.0° |
| N1 | C2 | C3 | O1 | 146.5° | 66.4° |
| C2 | N1 | C1 | H1 | 180.0° | 179.7° |
| N1 | C2 | C3 | C6 | 28.9° | 178.2° |
| C2 | N1 | C1 | O | 20.8° | 0.3° |
| C2 | N1 | C1 | C | 155.8° | 179.7° |
| N1 | C2 | C3 | H6 | 96.9° | 55.9° |
| N1 | C2 | H8 | H9 | 115.3° | 120.0° |
| C2 | C3 | O1 | C6 | 127.8° | 118.8° |
| C2 | C3 | O1 | H6 | 115.9° | 122.3° |
| C2 | C3 | O1 | C4 | 121.3° | 159.4° |
| C3 | C2 | N1 | C1 | 32.7° | 180.0° |
| C2 | C3 | C6 | H6 | 125.8° | 122.3° |
| C2 | C3 | C6 | C5 | 88.3° | 142.8° |
| C2 | C3 | C6 | O3 | 155.5° | 98.6° |
| C3 | C2 | N1 | H1 | 147.3° | 0.3° |
| C2 | C3 | C6 | H4 | 30.6° | 24.1° |
| C3 | C2 | H8 | H9 | 115.4° | 120.0° |
| C3 | O1 | C4 | N2 | 145.5° | 159.3° |
| O1 | C3 | C6 | H6 | 117.1° | 118.9° |
| C3 | O1 | C4 | C5 | 18.8° | 40.6° |
| O1 | C3 | C6 | C5 | 28.8° | 24.0° |
| O1 | C3 | C6 | O3 | 87.4° | 142.6° |
| O1 | C3 | C6 | H4 | 147.7° | 94.7° |
| C3 | O1 | C4 | H5 | 96.5° | 78.4° |
| O1 | C3 | C2 | H8 | 92.1° | 53.5° |
| O1 | C3 | C2 | H9 | 25.1° | 173.5° |
| O1 | C4 | N2 | C5 | 121.2° | 115.3° |
| O1 | C4 | N2 | H5 | 118.3° | 122.2° |
| C4 | O1 | C3 | C6 | 6.5° | 40.6° |
| O1 | C4 | C5 | H5 | 116.2° | 118.9° |
| O1 | C4 | C5 | C6 | 35.9° | 24.1° |
| O1 | C4 | C5 | O2 | 155.1° | 142.6° |
| O1 | C4 | C5 | H3 | 80.8° | 94.7° |
| C4 | O1 | C3 | H6 | 122.8° | 78.3° |
| N2 | C4 | C5 | H5 | 120.9° | 122.4° |
| N2 | C4 | C5 | C6 | 158.7° | 142.8° |
| N2 | C4 | C5 | O2 | 82.0° | 98.6° |
| N2 | C4 | C5 | H3 | 42.1° | 24.0° |
| N1 | C1 | O | C | 176.3° | 180.0° |
| N1 | C1 | C | N | 115.5° | 180.0° |
| C1 | N1 | C2 | H8 | 88.7° | 60.0° |
| C1 | N1 | C2 | H9 | 154.2° | 59.9° |
| N1 | C1 | C | H13 | 124.3° | 60.0° |
| N1 | C1 | C | H14 | 4.6° | 60.0° |
| C3 | C6 | C5 | C4 | 38.3° | 0.1° |
| C3 | C6 | C5 | O3 | 115.9° | 118.7° |
| C3 | C6 | C5 | H4 | 118.7° | 118.8° |
| C3 | C6 | C5 | O2 | 154.7° | 118.6° |
| C3 | C6 | O3 | H4 | 123.9° | 122.8° |
| C3 | C6 | C5 | H3 | 78.4° | 118.7° |
| C3 | C6 | O3 | H7 | 180.0° | 176.1° |
| C6 | C3 | C2 | H8 | 150.3° | 61.9° |
| C6 | C3 | C2 | H9 | 92.6° | 58.1° |
| C4 | C5 | C6 | O2 | 116.4° | 118.5° |
| C4 | C5 | C6 | H3 | 116.6° | 118.8° |
| C4 | C5 | O2 | H3 | 123.2° | 122.7° |
| C4 | C5 | C6 | O3 | 77.7° | 118.6° |
| C4 | C5 | C6 | H4 | 157.0° | 118.8° |
| C4 | C5 | O2 | H33 | 180.0° | 176.1° |
| O | C1 | C | N | 67.8° | 0.0° |
| O | C1 | N1 | H1 | 159.2° | 180.0° |
| O | C1 | C | H13 | 52.3° | 120.0° |
| O | C1 | C | H14 | 172.1° | 120.0° |
| C1 | C | N | H13 | 120.1° | 120.0° |
| C1 | C | N | H14 | 120.1° | 120.0° |
| C | C1 | N1 | H1 | 24.2° | 0.0° |
| C1 | C | N | H10 | 180.0° | 56.0° |
| C1 | C | N | H11 | 60.0° | 180.0° |
| C1 | C | H13 | H14 | 119.6° | 120.0° |
| C6 | C5 | O2 | H3 | 126.1° | 122.7° |
| C5 | C6 | O3 | H4 | 124.5° | 122.5° |
| C6 | C5 | C4 | H5 | 80.4° | 94.8° |
| C5 | C6 | C3 | H6 | 145.9° | 94.9° |
| C5 | C6 | O3 | H7 | 68.4° | 61.5° |
| C6 | C5 | O2 | H33 | 69.3° | 61.6° |
| O2 | C5 | C6 | O3 | 38.8° | 0.1° |
| O2 | C5 | C6 | H4 | 86.6° | 122.6° |
| O2 | C5 | C4 | H5 | 38.9° | 23.7° |
| O3 | C6 | C5 | H3 | 165.7° | 122.6° |
| O3 | C6 | C3 | H6 | 29.7° | 23.7° |
| C | N | H10 | H11 | 120.0° | 123.9° |
| N | C | H13 | H14 | 119.7° | 120.0° |
| H1 | N1 | C2 | H8 | 91.3° | 120.3° |
| H1 | N1 | C2 | H9 | 25.8° | 119.7° |
| H2 | O5 | C18 | H22 | 56.6° | 61.2° |
| H3 | C5 | C6 | H4 | 40.4° | 0.0° |
| H3 | C5 | C4 | H5 | 163.0° | 146.4° |
| H3 | C5 | O2 | H33 | 56.8° | 61.1° |
| H4 | C6 | C3 | H6 | 95.3° | 146.4° |
| H4 | C6 | O3 | H7 | 56.0° | 61.1° |
| H6 | C3 | C2 | H8 | 24.6° | 175.8° |
| H6 | C3 | C2 | H9 | 141.7° | 64.2° |
| H10 | N | C | H13 | 59.9° | 64.0° |
| H10 | N | C | H14 | 59.9° | 176.0° |
| H11 | N | C | H13 | 179.9° | 60.0° |
| H11 | N | C | H14 | 60.1° | 60.0° |
| H18 | C15 | C16 | H20 | 64.0° | 66.3° |
| H19 | C15 | C16 | H20 | 177.0° | 173.7° |
| H20 | C16 | C19 | H23 | 166.4° | 146.4° |
| H21 | C17 | C18 | H22 | 127.2° | 146.4° |
| H22 | C18 | C19 | H23 | 22.2° | 0.2° |
| H23 | C19 | O6 | H34 | 57.6° | 61.3° |
