KG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C25 | sing | 1.38Å | 1.34Å | |
| N9 | C24 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C23 | doub | 1.30Å | 1.32Å | Aromatic |
| C25 | C24 | doub | 1.41Å | 1.41Å | Aromatic |
| C25 | N11 | sing | 1.33Å | 1.35Å | Aromatic |
| C24 | C27 | sing | 1.41Å | 1.39Å | Aromatic |
| C23 | N8 | sing | 1.36Å | 1.37Å | Aromatic |
| N11 | C26 | doub | 1.32Å | 1.34Å | Aromatic |
| C21 | O7 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| O8 | C22 | sing | 1.43Å | 1.42Å | |
| C27 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C27 | N12 | doub | 1.33Å | 1.34Å | Aromatic |
| N8 | C20 | sing | 1.46Å | 1.45Å | |
| C22 | C19 | sing | 1.54Å | 1.53Å | |
| C26 | N12 | sing | 1.32Å | 1.33Å | Aromatic |
| C20 | O6 | sing | 1.44Å | 1.42Å | |
| O2 | C15 | doub | 1.21Å | 1.33Å | |
| C19 | O6 | sing | 1.44Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N1 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | O3 | sing | 1.34Å | 1.22Å | |
| N3 | C7 | sing | 1.38Å | 1.35Å | |
| C14 | C13 | sing | 1.51Å | 1.51Å | |
| C7 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N4 | C8 | sing | 1.32Å | 1.34Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.39Å | Aromatic |
| N2 | C5 | doub | 1.31Å | 1.32Å | Aromatic |
| C6 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C13 | N7 | sing | 1.35Å | 1.33Å | |
| C13 | O1 | doub | 1.21Å | 1.23Å | |
| N7 | C12 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.43Å | 1.42Å | |
| C5 | N6 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N5 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | C3 | trip | 1.17Å | 1.19Å | |
| C3 | C2 | sing | 1.47Å | 1.47Å | |
| C9 | N5 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| O | C10 | sing | 1.44Å | 1.42Å | |
| O | C11 | sing | 1.44Å | 1.45Å | |
| N6 | C10 | sing | 1.46Å | 1.46Å | |
| C | N | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C17 | sing | 1.55Å | 1.53Å | |
| C11 | C16 | sing | 1.54Å | 1.53Å | |
| C17 | C16 | sing | 1.55Å | 1.53Å | |
| C17 | O5 | sing | 1.43Å | 1.42Å | |
| C16 | O4 | sing | 1.43Å | 1.42Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| O5 | H5 | sing | 0.97Å | 0.95Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| O4 | H8 | sing | 0.97Å | 0.95Å | |
| O3 | H9 | sing | 0.97Å | 0.95Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C20 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| N10 | H33 | sing | 0.97Å | 1.00Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| N7 | H35 | sing | 0.97Å | 1.00Å | |
| O7 | H36 | sing | 0.97Å | 0.95Å | |
| O8 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C25 | C24 | 124.2° | 120.8° |
| N10 | C25 | N11 | 118.1° | 120.8° |
| C25 | N10 | H33 | 109.5° | 120.0° |
| C25 | N10 | H34 | 109.5° | 120.0° |
| C24 | N9 | C23 | 103.7° | 109.5° |
| N9 | C24 | C25 | 132.7° | 134.7° |
| N9 | C24 | C27 | 110.7° | 107.1° |
| N9 | C23 | N8 | 113.8° | 110.0° |
| N9 | C23 | H31 | 123.1° | 125.0° |
| C24 | C25 | N11 | 117.6° | 118.4° |
| C25 | C24 | C27 | 116.6° | 118.2° |
| C25 | N11 | C26 | 119.2° | 121.2° |
| C24 | C27 | N8 | 105.8° | 106.0° |
| C24 | C27 | N12 | 127.0° | 119.1° |
| C23 | N8 | C27 | 106.0° | 107.5° |
| C23 | N8 | C20 | 128.9° | 126.3° |
| N8 | C23 | H31 | 123.1° | 125.0° |
| N11 | C26 | N12 | 128.8° | 122.4° |
| N11 | C26 | H32 | 115.6° | 118.7° |
| O7 | C21 | C22 | 112.2° | 110.9° |
| O7 | C21 | C20 | 108.1° | 110.9° |
| O7 | C21 | H29 | 112.1° | 110.8° |
| C21 | O7 | H36 | 109.5° | 114.0° |
| C22 | C21 | C20 | 103.2° | 102.1° |
| C21 | C22 | O8 | 110.7° | 110.5° |
| C21 | C22 | C19 | 102.6° | 104.2° |
| C22 | C21 | H29 | 110.4° | 110.9° |
| C21 | C22 | H30 | 110.0° | 110.5° |
| C21 | C20 | N8 | 113.1° | 110.8° |
| C21 | C20 | O6 | 108.0° | 103.5° |
| C21 | C20 | H28 | 107.8° | 110.6° |
| C20 | C21 | H29 | 110.4° | 110.9° |
| O8 | C22 | C19 | 111.2° | 110.5° |
| O8 | C22 | H30 | 111.7° | 110.6° |
| C22 | O8 | H37 | 109.5° | 114.0° |
| N8 | C27 | N12 | 127.2° | 135.0° |
| C27 | N8 | C20 | 124.9° | 126.3° |
| C27 | N12 | C26 | 110.8° | 120.7° |
| N8 | C20 | O6 | 109.9° | 110.6° |
| N8 | C20 | H28 | 108.8° | 110.6° |
| C22 | C19 | O6 | 103.4° | 107.3° |
| C22 | C19 | C18 | 115.2° | 109.9° |
| C22 | C19 | H27 | 108.9° | 110.0° |
| C19 | C22 | H30 | 110.2° | 110.5° |
| N12 | C26 | H32 | 115.6° | 118.8° |
| C20 | O6 | C19 | 106.4° | 107.0° |
| O6 | C20 | H28 | 109.2° | 110.6° |
| O2 | C15 | C14 | 113.8° | 120.0° |
| O2 | C15 | O3 | 123.7° | 120.0° |
| O6 | C19 | C18 | 110.1° | 109.9° |
| O6 | C19 | H27 | 110.1° | 109.9° |
| C19 | C18 | N1 | 111.8° | 109.5° |
| C19 | C18 | H25 | 108.9° | 109.5° |
| C19 | C18 | H26 | 108.9° | 109.5° |
| C18 | C19 | H27 | 109.0° | 109.9° |
| C18 | N1 | C1 | 111.1° | 111.0° |
| C18 | N1 | C2 | 113.9° | 110.9° |
| N1 | C18 | H25 | 108.9° | 109.4° |
| N1 | C18 | H26 | 108.9° | 109.4° |
| C14 | C15 | O3 | 122.5° | 120.0° |
| C15 | C14 | C13 | 114.2° | 109.5° |
| C15 | C14 | H21 | 108.3° | 109.5° |
| C15 | C14 | H22 | 108.3° | 109.5° |
| C15 | O3 | H9 | 109.5° | 117.0° |
| N3 | C7 | N4 | 118.6° | 120.8° |
| N3 | C7 | C6 | 123.8° | 120.8° |
| C7 | N3 | H6 | 109.5° | 120.0° |
| C7 | N3 | H7 | 109.5° | 120.0° |
| C14 | C13 | N7 | 115.9° | 120.0° |
| C14 | C13 | O1 | 121.1° | 120.0° |
| C13 | C14 | H21 | 108.3° | 109.5° |
| C13 | C14 | H22 | 108.3° | 109.5° |
| N4 | C7 | C6 | 117.6° | 118.5° |
| C7 | N4 | C8 | 119.1° | 121.2° |
| C7 | C6 | N2 | 131.9° | 134.5° |
| C7 | C6 | C9 | 117.0° | 118.1° |
| C1 | N1 | C2 | 111.6° | 111.0° |
| N1 | C1 | C | 113.0° | 109.5° |
| N1 | C1 | H3 | 108.6° | 109.5° |
| N1 | C1 | H4 | 108.6° | 109.5° |
| N1 | C2 | C3 | 114.3° | 109.4° |
| N1 | C2 | H10 | 108.2° | 109.5° |
| N1 | C2 | H11 | 108.3° | 109.5° |
| N4 | C8 | N5 | 128.6° | 122.5° |
| N4 | C8 | H2 | 115.7° | 118.7° |
| C6 | N2 | C5 | 104.2° | 109.4° |
| N2 | C6 | C9 | 111.1° | 107.4° |
| N2 | C5 | C4 | 123.9° | 125.2° |
| N2 | C5 | N6 | 113.0° | 109.6° |
| C6 | C9 | N5 | 126.9° | 119.1° |
| C6 | C9 | N6 | 105.7° | 106.2° |
| C1 | C | N | 113.6° | 109.5° |
| C | C1 | H3 | 108.6° | 109.5° |
| C | C1 | H4 | 108.6° | 109.4° |
| C1 | C | H15 | 108.5° | 109.5° |
| C1 | C | H16 | 108.4° | 109.4° |
| N7 | C13 | O1 | 122.9° | 120.0° |
| C13 | N7 | C12 | 123.5° | 120.0° |
| C13 | N7 | H35 | 118.2° | 120.1° |
| N7 | C12 | C11 | 115.3° | 109.5° |
| N7 | C12 | H19 | 108.0° | 109.5° |
| N7 | C12 | H20 | 108.0° | 109.5° |
| C12 | N7 | H35 | 118.2° | 119.9° |
| C4 | C5 | N6 | 123.0° | 125.2° |
| C5 | C4 | C3 | 175.2° | 180.0° |
| C5 | N6 | C9 | 106.0° | 107.3° |
| C5 | N6 | C10 | 129.8° | 126.4° |
| C8 | N5 | C9 | 110.9° | 120.6° |
| N5 | C8 | H2 | 115.7° | 118.8° |
| C4 | C3 | C2 | 174.7° | 180.0° |
| C3 | C2 | H10 | 108.2° | 109.4° |
| C3 | C2 | H11 | 108.2° | 109.5° |
| N5 | C9 | N6 | 127.4° | 134.7° |
| C9 | N6 | C10 | 124.2° | 126.4° |
| C10 | O | C11 | 109.1° | 107.0° |
| O | C10 | N6 | 111.4° | 110.6° |
| O | C10 | C17 | 106.5° | 103.5° |
| O | C10 | H17 | 107.7° | 110.6° |
| O | C11 | C12 | 109.9° | 109.9° |
| O | C11 | C16 | 105.4° | 107.3° |
| O | C11 | H18 | 109.9° | 109.9° |
| N6 | C10 | C17 | 117.0° | 110.6° |
| N6 | C10 | H17 | 107.2° | 110.7° |
| C | N | H12 | 109.5° | 111.0° |
| C | N | H13 | 109.5° | 111.0° |
| N | C | H15 | 108.4° | 109.5° |
| N | C | H16 | 108.5° | 109.5° |
| C12 | C11 | C16 | 113.9° | 109.9° |
| C12 | C11 | H18 | 109.0° | 110.0° |
| C11 | C12 | H19 | 108.0° | 109.5° |
| C11 | C12 | H20 | 108.0° | 109.5° |
| C10 | C17 | C16 | 99.4° | 102.1° |
| C10 | C17 | O5 | 108.3° | 110.9° |
| C17 | C10 | H17 | 106.5° | 110.6° |
| C10 | C17 | H24 | 111.2° | 110.9° |
| C11 | C16 | C17 | 101.8° | 104.2° |
| C11 | C16 | O4 | 109.7° | 110.5° |
| C16 | C11 | H18 | 108.7° | 109.9° |
| C11 | C16 | H23 | 111.2° | 110.5° |
| C16 | C17 | O5 | 113.0° | 110.9° |
| C17 | C16 | O4 | 109.3° | 110.4° |
| C17 | C16 | H23 | 111.3° | 110.6° |
| C16 | C17 | H24 | 111.2° | 110.9° |
| C17 | O5 | H5 | 109.5° | 114.0° |
| O5 | C17 | H24 | 112.8° | 110.8° |
| C16 | O4 | H8 | 109.5° | 114.0° |
| O4 | C16 | H23 | 113.0° | 110.5° |
| H3 | C1 | H4 | 109.4° | 109.5° |
| H6 | N3 | H7 | 109.5° | 120.0° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 111.0° |
| H15 | C | H16 | 109.4° | 109.4° |
| H19 | C12 | H20 | 109.5° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H33 | N10 | H34 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C25 | C24 | N9 | 6.9° | 0.5° |
| N10 | C25 | C24 | N11 | 177.5° | 179.9° |
| N10 | C25 | C24 | C27 | 176.0° | 180.0° |
| N10 | C25 | N11 | C26 | 175.5° | 179.9° |
| C25 | N10 | H33 | H34 | 120.0° | 180.0° |
| N9 | C24 | C25 | C27 | 177.1° | 179.5° |
| N9 | C24 | C25 | N11 | 175.6° | 179.4° |
| C24 | N9 | C23 | N8 | 0.7° | 0.0° |
| N9 | C24 | C27 | N8 | 0.3° | 0.4° |
| N9 | C24 | C27 | N12 | 177.9° | 179.6° |
| C24 | N9 | C23 | H31 | 179.3° | 179.7° |
| C23 | N9 | C24 | C25 | 177.4° | 179.8° |
| C23 | N9 | C24 | C27 | 0.2° | 0.3° |
| N9 | C23 | N8 | H31 | 180.0° | 179.7° |
| N9 | C23 | N8 | C27 | 1.0° | 0.3° |
| N9 | C23 | N8 | C20 | 173.9° | 179.8° |
| C24 | C25 | N11 | C26 | 2.2° | 0.0° |
| C25 | C24 | C27 | N8 | 177.4° | 180.0° |
| C25 | C24 | C27 | N12 | 0.2° | 0.0° |
| C24 | C25 | N10 | H33 | 177.5° | 0.0° |
| C24 | C25 | N10 | H34 | 57.4° | 180.0° |
| N11 | C25 | C24 | C27 | 1.5° | 0.0° |
| C25 | N11 | C26 | N12 | 1.4° | 0.1° |
| C25 | N11 | C26 | H32 | 178.6° | 180.0° |
| N11 | C25 | N10 | H33 | 0.0° | 180.0° |
| N11 | C25 | N10 | H34 | 120.0° | 0.0° |
| C24 | C27 | N8 | C23 | 0.7° | 0.4° |
| C24 | C27 | N8 | N12 | 177.5° | 180.0° |
| C24 | C27 | N8 | C20 | 174.4° | 179.6° |
| C24 | C27 | N12 | C26 | 1.0° | 0.0° |
| C23 | N8 | C20 | C21 | 61.9° | 90.5° |
| C23 | N8 | C27 | C20 | 175.1° | 179.9° |
| C23 | N8 | C27 | N12 | 178.3° | 179.6° |
| C23 | N8 | C20 | O6 | 58.8° | 23.6° |
| C23 | N8 | C20 | H28 | 178.3° | 146.4° |
| N11 | C26 | N12 | C27 | 0.2° | 0.1° |
| N11 | C26 | N12 | H32 | 180.0° | 180.0° |
| O7 | C21 | C22 | C20 | 116.1° | 118.2° |
| O7 | C21 | C22 | H29 | 125.8° | 123.6° |
| O7 | C21 | C20 | H29 | 123.0° | 123.6° |
| O7 | C21 | C22 | O8 | 24.8° | 20.4° |
| O7 | C21 | C20 | N8 | 117.9° | 86.2° |
| O7 | C21 | C22 | C19 | 94.1° | 139.1° |
| O7 | C21 | C20 | O6 | 120.2° | 155.3° |
| O7 | C21 | C20 | H28 | 2.4° | 36.7° |
| O7 | C21 | C22 | H30 | 148.7° | 102.3° |
| C22 | C21 | C20 | H29 | 118.0° | 118.2° |
| C21 | C22 | O8 | C19 | 113.5° | 114.7° |
| C21 | C22 | O8 | H30 | 123.0° | 122.7° |
| C22 | C21 | C20 | N8 | 123.1° | 155.6° |
| C21 | C22 | C19 | H30 | 117.1° | 118.7° |
| C22 | C21 | C20 | O6 | 1.2° | 37.1° |
| C21 | C22 | C19 | O6 | 38.1° | 2.0° |
| C21 | C22 | C19 | C18 | 158.3° | 121.5° |
| C21 | C22 | C19 | H27 | 78.9° | 117.5° |
| C22 | C21 | C20 | H28 | 116.6° | 81.4° |
| C22 | C21 | O7 | H36 | 180.0° | 61.4° |
| C21 | C22 | O8 | H37 | 180.0° | 61.5° |
| C20 | C21 | C22 | O8 | 140.9° | 97.7° |
| C21 | C20 | N8 | C27 | 112.0° | 89.4° |
| C21 | C20 | N8 | O6 | 120.8° | 114.1° |
| C21 | C20 | N8 | H28 | 119.7° | 123.0° |
| C20 | C21 | C22 | C19 | 22.1° | 20.9° |
| C21 | C20 | O6 | H28 | 116.9° | 118.5° |
| C21 | C20 | O6 | C19 | 26.0° | 40.1° |
| C20 | C21 | C22 | H30 | 95.1° | 139.5° |
| C20 | C21 | O7 | H36 | 66.9° | 174.2° |
| O8 | C22 | C19 | H30 | 124.5° | 122.7° |
| O8 | C22 | C19 | O6 | 156.5° | 120.7° |
| O8 | C22 | C19 | C18 | 83.3° | 119.9° |
| O8 | C22 | C19 | H27 | 39.5° | 1.2° |
| O8 | C22 | C21 | H29 | 101.1° | 144.0° |
| N8 | C27 | N12 | C26 | 176.0° | 180.0° |
| C27 | N8 | C20 | O6 | 127.2° | 156.5° |
| C27 | N8 | C20 | H28 | 7.7° | 33.6° |
| C27 | N8 | C23 | H31 | 179.0° | 180.0° |
| N12 | C27 | N8 | C20 | 3.1° | 0.4° |
| C27 | N12 | C26 | H32 | 179.8° | 180.0° |
| N8 | C20 | O6 | H28 | 119.2° | 122.8° |
| N8 | C20 | O6 | C19 | 149.8° | 158.7° |
| N8 | C20 | C21 | H29 | 5.0° | 37.4° |
| C20 | N8 | C23 | H31 | 6.1° | 0.1° |
| C22 | C19 | O6 | C20 | 40.2° | 26.5° |
| C22 | C19 | O6 | C18 | 123.6° | 119.4° |
| C22 | C19 | O6 | H27 | 116.2° | 119.6° |
| C22 | C19 | C18 | H27 | 122.7° | 121.2° |
| C22 | C19 | C18 | N1 | 178.4° | 179.9° |
| C22 | C19 | C18 | H25 | 61.2° | 60.2° |
| C22 | C19 | C18 | H26 | 58.1° | 59.9° |
| C19 | C22 | C21 | H29 | 140.1° | 97.4° |
| C19 | C22 | O8 | H37 | 66.6° | 176.3° |
| C20 | O6 | C19 | C18 | 163.8° | 146.0° |
| C20 | O6 | C19 | H27 | 76.0° | 93.0° |
| O6 | C20 | C21 | H29 | 116.8° | 81.2° |
| O2 | C15 | C14 | O3 | 179.7° | 179.9° |
| O2 | C15 | C14 | C13 | 176.8° | 6.8° |
| O2 | C15 | O3 | H9 | 0.0° | 0.0° |
| O2 | C15 | C14 | H21 | 56.1° | 113.2° |
| O2 | C15 | C14 | H22 | 62.6° | 126.8° |
| O6 | C19 | C18 | H27 | 120.8° | 121.0° |
| O6 | C19 | C18 | N1 | 62.0° | 62.3° |
| O6 | C19 | C18 | H25 | 177.6° | 57.6° |
| O6 | C19 | C18 | H26 | 58.3° | 177.7° |
| C19 | O6 | C20 | H28 | 91.0° | 78.4° |
| O6 | C19 | C22 | H30 | 79.0° | 116.6° |
| C19 | C18 | N1 | H25 | 120.4° | 120.0° |
| C19 | C18 | N1 | H26 | 120.3° | 120.0° |
| C19 | C18 | N1 | C1 | 147.5° | 164.2° |
| C19 | C18 | N1 | C2 | 85.4° | 71.8° |
| C19 | C18 | H25 | H26 | 118.9° | 120.1° |
| C18 | C19 | C22 | H30 | 41.2° | 2.8° |
| C18 | N1 | C1 | C2 | 128.4° | 123.9° |
| C18 | N1 | C1 | C | 160.9° | 72.4° |
| C18 | N1 | C2 | C3 | 75.0° | 161.6° |
| C18 | N1 | C1 | H3 | 78.5° | 167.6° |
| C18 | N1 | C1 | H4 | 40.4° | 47.6° |
| C18 | N1 | C2 | H10 | 45.7° | 41.6° |
| C18 | N1 | C2 | H11 | 164.3° | 78.5° |
| N1 | C18 | H25 | H26 | 118.9° | 119.9° |
| N1 | C18 | C19 | H27 | 58.8° | 58.8° |
| C15 | C14 | C13 | H21 | 120.7° | 120.0° |
| C15 | C14 | C13 | H22 | 120.7° | 120.0° |
| C15 | C14 | C13 | N7 | 80.7° | 173.1° |
| C15 | C14 | C13 | O1 | 101.1° | 6.9° |
| C14 | C15 | O3 | H9 | 179.7° | 180.0° |
| C15 | C14 | H21 | H22 | 117.9° | 120.0° |
| O3 | C15 | C14 | C13 | 3.0° | 173.1° |
| O3 | C15 | C14 | H21 | 123.6° | 66.9° |
| O3 | C15 | C14 | H22 | 117.7° | 53.1° |
| N3 | C7 | N4 | C6 | 179.9° | 179.7° |
| N3 | C7 | N4 | C8 | 179.7° | 179.8° |
| N3 | C7 | C6 | N2 | 2.4° | 0.3° |
| N3 | C7 | C6 | C9 | 179.7° | 179.7° |
| C7 | N3 | H6 | H7 | 120.0° | 180.0° |
| C14 | C13 | N7 | O1 | 178.2° | 180.0° |
| C14 | C13 | N7 | C12 | 173.1° | 174.8° |
| C13 | C14 | H21 | H22 | 117.9° | 120.0° |
| C14 | C13 | N7 | H35 | 6.9° | 5.2° |
| N4 | C7 | C6 | N2 | 177.5° | 180.0° |
| N4 | C7 | C6 | C9 | 0.3° | 0.1° |
| C7 | N4 | C8 | N5 | 0.1° | 0.1° |
| C7 | N4 | C8 | H2 | 179.9° | 179.9° |
| N4 | C7 | N3 | H6 | 0.0° | 0.0° |
| N4 | C7 | N3 | H7 | 120.0° | 180.0° |
| C6 | C7 | N4 | C8 | 0.4° | 0.1° |
| C7 | C6 | N2 | C9 | 177.9° | 179.9° |
| C7 | C6 | N2 | C5 | 176.8° | 179.9° |
| C7 | C6 | C9 | N5 | 0.2° | 0.1° |
| C7 | C6 | C9 | N6 | 177.7° | 180.0° |
| C6 | C7 | N3 | H6 | 179.9° | 179.7° |
| C6 | C7 | N3 | H7 | 59.9° | 0.3° |
| N1 | C1 | C | H3 | 120.5° | 120.0° |
| N1 | C1 | C | H4 | 120.6° | 120.0° |
| C1 | N1 | C2 | C3 | 158.2° | 74.5° |
| N1 | C1 | C | N | 157.7° | 175.1° |
| N1 | C1 | H3 | H4 | 118.4° | 120.0° |
| C1 | N1 | C2 | H10 | 81.1° | 165.6° |
| C1 | N1 | C2 | H11 | 37.5° | 45.5° |
| N1 | C1 | C | H15 | 81.7° | 64.8° |
| N1 | C1 | C | H16 | 37.1° | 55.1° |
| C1 | N1 | C18 | H25 | 92.1° | 44.2° |
| C1 | N1 | C18 | H26 | 27.2° | 75.7° |
| C2 | N1 | C1 | C | 70.7° | 163.7° |
| N1 | C2 | C3 | C4 | 54.7° | 79.8° |
| N1 | C2 | C3 | H10 | 120.7° | 120.0° |
| N1 | C2 | C3 | H11 | 120.7° | 120.0° |
| C2 | N1 | C1 | H3 | 49.8° | 43.7° |
| C2 | N1 | C1 | H4 | 168.8° | 76.3° |
| N1 | C2 | H10 | H11 | 117.8° | 120.0° |
| C2 | N1 | C18 | H25 | 35.0° | 168.2° |
| C2 | N1 | C18 | H26 | 154.3° | 48.2° |
| N4 | C8 | N5 | H2 | 180.0° | 180.0° |
| N4 | C8 | N5 | C9 | 0.6° | 0.1° |
| C6 | N2 | C5 | C4 | 175.8° | 180.0° |
| C6 | N2 | C5 | N6 | 1.3° | 0.0° |
| N2 | C6 | C9 | N5 | 178.4° | 180.0° |
| N2 | C6 | C9 | N6 | 0.6° | 0.1° |
| C5 | N2 | C6 | C9 | 1.1° | 0.0° |
| N2 | C5 | C4 | N6 | 176.9° | 180.0° |
| N2 | C5 | C4 | C3 | 18.9° | 134.3° |
| N2 | C5 | N6 | C9 | 1.0° | 0.1° |
| N2 | C5 | N6 | C10 | 179.9° | 180.0° |
| C6 | C9 | N6 | C5 | 0.2° | 0.1° |
| C6 | C9 | N5 | C8 | 0.6° | 0.1° |
| C6 | C9 | N5 | N6 | 177.5° | 179.9° |
| C6 | C9 | N6 | C10 | 179.2° | 180.0° |
| C1 | C | N | H15 | 120.6° | 120.1° |
| C1 | C | N | H16 | 120.6° | 120.0° |
| C | C1 | H3 | H4 | 118.4° | 120.0° |
| C1 | C | N | H12 | 180.0° | 56.1° |
| C1 | C | N | H13 | 60.0° | 180.0° |
| C1 | C | H15 | H16 | 118.1° | 119.9° |
| C13 | N7 | C12 | H35 | 180.0° | 180.0° |
| C13 | N7 | C12 | C11 | 82.6° | 175.1° |
| C13 | N7 | C12 | H19 | 156.6° | 64.9° |
| C13 | N7 | C12 | H20 | 38.3° | 55.1° |
| N7 | C13 | C14 | H21 | 158.6° | 53.1° |
| N7 | C13 | C14 | H22 | 40.0° | 66.9° |
| O1 | C13 | N7 | C12 | 8.7° | 5.3° |
| O1 | C13 | C14 | H21 | 19.6° | 126.8° |
| O1 | C13 | C14 | H22 | 138.2° | 113.1° |
| O1 | C13 | N7 | H35 | 171.3° | 174.7° |
| N7 | C12 | C11 | O | 75.7° | 63.7° |
| N7 | C12 | C11 | H19 | 120.8° | 120.0° |
| N7 | C12 | C11 | H20 | 120.8° | 120.0° |
| N7 | C12 | C11 | C16 | 166.3° | 178.5° |
| N7 | C12 | C11 | H18 | 44.7° | 57.4° |
| N7 | C12 | H19 | H20 | 117.3° | 120.0° |
| C5 | C4 | C3 | C2 | 176.6° | 125.5° |
| C4 | C5 | N6 | C9 | 176.2° | 179.9° |
| C4 | C5 | N6 | C10 | 2.8° | 0.0° |
| N6 | C5 | C4 | C3 | 164.3° | 45.7° |
| C5 | N6 | C9 | N5 | 177.6° | 180.0° |
| C5 | N6 | C9 | C10 | 179.0° | 179.9° |
| C5 | N6 | C10 | O | 65.4° | 134.0° |
| C5 | N6 | C10 | C17 | 57.4° | 111.9° |
| C5 | N6 | C10 | H17 | 176.9° | 11.1° |
| C8 | N5 | C9 | N6 | 176.9° | 180.0° |
| C4 | C3 | C2 | H10 | 175.4° | 160.2° |
| C4 | C3 | C2 | H11 | 66.0° | 40.2° |
| C3 | C2 | H10 | H11 | 117.8° | 120.0° |
| N5 | C9 | N6 | C10 | 1.4° | 0.1° |
| C9 | N5 | C8 | H2 | 179.4° | 179.9° |
| C9 | N6 | C10 | O | 113.3° | 46.0° |
| C9 | N6 | C10 | C17 | 123.9° | 68.0° |
| C9 | N6 | C10 | H17 | 4.4° | 169.0° |
| O | C10 | N6 | C17 | 122.8° | 114.1° |
| O | C10 | N6 | H17 | 117.7° | 123.0° |
| C10 | O | C11 | C12 | 115.7° | 146.0° |
| O | C10 | C17 | H17 | 114.8° | 118.5° |
| C10 | O | C11 | C16 | 7.4° | 26.5° |
| O | C10 | C17 | C16 | 37.7° | 37.0° |
| O | C10 | C17 | O5 | 155.9° | 155.2° |
| C10 | O | C11 | H18 | 124.4° | 92.9° |
| O | C10 | C17 | H24 | 79.5° | 81.1° |
| C11 | O | C10 | N6 | 148.1° | 158.6° |
| O | C11 | C12 | C16 | 118.0° | 117.8° |
| O | C11 | C12 | H18 | 120.5° | 121.1° |
| C11 | O | C10 | C17 | 19.4° | 40.1° |
| O | C11 | C16 | H18 | 117.7° | 119.5° |
| O | C11 | C16 | C17 | 30.9° | 2.0° |
| O | C11 | C16 | O4 | 84.8° | 120.7° |
| C11 | O | C10 | H17 | 94.5° | 78.4° |
| O | C11 | C12 | H19 | 45.1° | 176.3° |
| O | C11 | C12 | H20 | 163.5° | 56.3° |
| O | C11 | C16 | H23 | 149.4° | 116.7° |
| N6 | C10 | C17 | H17 | 119.9° | 123.0° |
| N6 | C10 | C17 | C16 | 163.1° | 155.5° |
| N6 | C10 | C17 | O5 | 78.7° | 86.3° |
| N6 | C10 | C17 | H24 | 45.8° | 37.3° |
| N | C | C1 | H3 | 37.1° | 55.0° |
| N | C | C1 | H4 | 81.8° | 64.9° |
| C | N | H12 | H13 | 120.0° | 124.0° |
| N | C | H15 | H16 | 118.1° | 120.0° |
| C12 | C11 | C16 | H18 | 121.7° | 121.1° |
| C12 | C11 | C16 | C17 | 89.7° | 121.5° |
| C12 | C11 | C16 | O4 | 154.6° | 119.9° |
| C11 | C12 | H19 | H20 | 117.4° | 120.0° |
| C12 | C11 | C16 | H23 | 28.9° | 2.7° |
| C11 | C12 | N7 | H35 | 97.4° | 4.9° |
| C10 | C17 | C16 | C11 | 40.5° | 20.9° |
| C10 | C17 | C16 | O5 | 114.6° | 118.2° |
| C10 | C17 | C16 | H24 | 117.2° | 118.2° |
| C10 | C17 | O5 | H24 | 123.6° | 123.7° |
| C10 | C17 | C16 | O4 | 75.5° | 97.8° |
| C10 | C17 | O5 | H5 | 180.0° | 180.0° |
| C10 | C17 | C16 | H23 | 159.0° | 139.6° |
| C11 | C16 | C17 | O4 | 115.9° | 118.7° |
| C11 | C16 | C17 | H23 | 118.5° | 118.7° |
| C11 | C16 | C17 | O5 | 155.1° | 139.1° |
| C11 | C16 | O4 | H23 | 124.7° | 122.6° |
| C11 | C16 | O4 | H8 | 180.0° | 180.0° |
| C16 | C11 | C12 | H19 | 72.9° | 58.4° |
| C16 | C11 | C12 | H20 | 45.4° | 61.5° |
| C11 | C16 | C17 | H24 | 76.8° | 97.3° |
| C16 | C17 | O5 | H24 | 127.3° | 123.6° |
| C17 | C16 | O4 | H23 | 124.5° | 122.7° |
| C16 | C17 | O5 | H5 | 70.9° | 67.3° |
| C17 | C16 | O4 | H8 | 69.2° | 65.3° |
| C16 | C17 | C10 | H17 | 77.0° | 81.5° |
| C17 | C16 | C11 | H18 | 148.6° | 117.4° |
| O5 | C17 | C16 | O4 | 39.2° | 20.4° |
| O5 | C17 | C10 | H17 | 41.2° | 36.7° |
| O5 | C17 | C16 | H23 | 86.4° | 102.2° |
| O4 | C16 | C11 | H18 | 32.9° | 1.2° |
| O4 | C16 | C17 | H24 | 167.3° | 144.0° |
| H3 | C1 | C | H15 | 157.8° | 175.1° |
| H3 | C1 | C | H16 | 83.5° | 64.9° |
| H4 | C1 | C | H15 | 38.8° | 55.2° |
| H4 | C1 | C | H16 | 157.6° | 175.1° |
| H5 | O5 | C17 | H24 | 56.4° | 56.3° |
| H8 | O4 | C16 | H23 | 55.4° | 57.4° |
| H12 | N | C | H15 | 59.4° | 64.0° |
| H12 | N | C | H16 | 59.4° | 176.1° |
| H13 | N | C | H15 | 179.4° | 59.9° |
| H13 | N | C | H16 | 60.6° | 60.0° |
| H17 | C10 | C17 | H24 | 165.7° | 160.4° |
| H18 | C11 | C12 | H19 | 165.6° | 62.6° |
| H18 | C11 | C12 | H20 | 76.1° | 177.4° |
| H18 | C11 | C16 | H23 | 92.8° | 123.8° |
| H19 | C12 | N7 | H35 | 23.4° | 115.1° |
| H20 | C12 | N7 | H35 | 141.7° | 124.9° |
| H23 | C16 | C17 | H24 | 41.7° | 21.4° |
| H25 | C18 | C19 | H27 | 61.5° | 178.7° |
| H26 | C18 | C19 | H27 | 179.2° | 61.2° |
| H27 | C19 | C22 | H30 | 164.0° | 123.9° |
| H28 | C20 | C21 | H29 | 125.3° | 160.3° |
| H29 | C21 | C22 | H30 | 22.9° | 21.3° |
| H29 | C21 | O7 | H36 | 55.1° | 62.2° |
| H30 | C22 | O8 | H37 | 57.0° | 61.1° |
