KGZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.50Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C20 | C19 | doub | 1.31Å | 1.35Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C19 | C24 | sing | 1.50Å | 1.50Å | |
| C19 | C18 | sing | 1.48Å | 1.48Å | |
| C18 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | N6 | sing | 1.47Å | 1.47Å | |
| N6 | C27 | sing | 1.47Å | 1.46Å | |
| N6 | C13 | sing | 1.47Å | 1.46Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C28 | F1 | sing | 1.40Å | 1.40Å | |
| C28 | C3 | sing | 1.53Å | 1.52Å | |
| C12 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C2 | C1 | sing | 1.47Å | 1.46Å | |
| C3 | N2 | sing | 1.47Å | 1.43Å | |
| C1 | N1 | trip | 1.14Å | 1.17Å | |
| N2 | N5 | sing | 1.40Å | 1.35Å | Aromatic |
| N2 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.37Å | Aromatic |
| O2 | C8 | doub | 1.21Å | 1.23Å | |
| C7 | C5 | sing | 1.42Å | 1.38Å | Aromatic |
| C7 | N4 | sing | 1.40Å | 1.41Å | |
| C5 | C6 | sing | 1.47Å | 1.48Å | |
| C8 | N4 | sing | 1.35Å | 1.35Å | |
| C8 | C9 | sing | 1.51Å | 1.48Å | |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C11 | C9 | sing | 1.53Å | 1.51Å | |
| C6 | N3 | sing | 1.35Å | 1.33Å | |
| C6 | O1 | doub | 1.22Å | 1.21Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 0.97Å | 1.00Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 0.97Å | 1.00Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C17 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.08Å | 1.08Å | |
| C26 | H31 | sing | 1.08Å | 1.08Å | |
| C27 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 111.5° | 110.1° |
| C21 | C20 | C19 | 123.8° | 123.8° |
| C21 | C20 | H21 | 118.1° | 118.0° |
| C20 | C21 | H22 | 109.0° | 109.4° |
| C20 | C21 | H23 | 108.9° | 109.3° |
| C21 | C22 | C23 | 112.7° | 108.5° |
| C22 | C21 | H22 | 108.9° | 109.4° |
| C22 | C21 | H23 | 108.9° | 109.3° |
| C21 | C22 | H24 | 108.7° | 109.6° |
| C21 | C22 | H25 | 108.7° | 109.7° |
| C20 | C19 | C24 | 121.0° | 123.8° |
| C20 | C19 | C18 | 120.6° | 118.1° |
| C19 | C20 | H21 | 118.0° | 118.1° |
| C22 | C23 | C24 | 112.1° | 108.5° |
| C23 | C22 | H24 | 108.7° | 109.6° |
| C23 | C22 | H25 | 108.6° | 109.6° |
| C22 | C23 | H26 | 108.8° | 109.7° |
| C22 | C23 | H27 | 108.8° | 109.7° |
| C23 | C24 | C19 | 115.2° | 110.2° |
| C24 | C23 | H26 | 108.8° | 109.6° |
| C24 | C23 | H27 | 108.8° | 109.6° |
| C23 | C24 | H28 | 108.0° | 109.1° |
| C23 | C24 | H29 | 108.0° | 109.6° |
| C24 | C19 | C18 | 118.4° | 118.1° |
| C19 | C24 | H28 | 108.1° | 109.3° |
| C19 | C24 | H29 | 108.0° | 109.3° |
| C19 | C18 | C25 | 120.4° | 120.2° |
| C19 | C18 | C17 | 121.9° | 120.1° |
| C25 | C18 | C17 | 117.8° | 119.7° |
| C18 | C25 | C26 | 121.3° | 119.9° |
| C18 | C25 | H30 | 119.3° | 120.1° |
| C18 | C17 | C16 | 120.8° | 119.9° |
| C18 | C17 | H20 | 119.6° | 120.1° |
| C25 | C26 | C15 | 120.4° | 120.1° |
| C26 | C25 | H30 | 119.4° | 120.0° |
| C25 | C26 | H31 | 119.8° | 119.9° |
| C17 | C16 | C15 | 120.9° | 120.2° |
| C17 | C16 | H19 | 119.5° | 119.9° |
| C16 | C17 | H20 | 119.6° | 120.1° |
| C26 | C15 | C16 | 118.8° | 120.3° |
| C26 | C15 | C14 | 120.2° | 119.9° |
| C15 | C26 | H31 | 119.8° | 119.9° |
| C16 | C15 | C14 | 121.0° | 119.8° |
| C15 | C16 | H19 | 119.5° | 120.0° |
| C15 | C14 | N6 | 112.7° | 109.5° |
| C15 | C14 | H2 | 108.6° | 109.5° |
| C15 | C14 | H3 | 108.7° | 109.5° |
| C14 | N6 | C27 | 109.5° | 111.0° |
| C14 | N6 | C13 | 110.8° | 111.1° |
| N6 | C14 | H2 | 108.6° | 109.5° |
| N6 | C14 | H3 | 108.6° | 109.5° |
| C27 | N6 | C13 | 110.4° | 111.2° |
| N6 | C27 | C28 | 111.3° | 109.6° |
| N6 | C27 | H32 | 109.0° | 109.4° |
| N6 | C27 | H33 | 109.0° | 109.5° |
| N6 | C13 | C12 | 112.5° | 109.5° |
| N6 | C13 | H11 | 108.7° | 109.4° |
| N6 | C13 | H12 | 108.7° | 109.4° |
| C27 | C28 | F1 | 108.5° | 109.5° |
| C27 | C28 | C3 | 113.7° | 109.3° |
| C28 | C27 | H32 | 109.0° | 109.5° |
| C28 | C27 | H33 | 109.0° | 109.4° |
| C27 | C28 | H34 | 108.3° | 109.5° |
| C13 | C12 | C3 | 113.0° | 109.3° |
| C13 | C12 | H9 | 108.6° | 109.6° |
| C13 | C12 | H10 | 108.6° | 109.5° |
| C12 | C13 | H11 | 108.7° | 109.5° |
| C12 | C13 | H12 | 108.7° | 109.5° |
| F1 | C28 | C3 | 108.7° | 109.5° |
| F1 | C28 | H34 | 109.6° | 109.5° |
| C28 | C3 | C12 | 104.2° | 109.1° |
| C28 | C3 | C2 | 113.2° | 109.6° |
| C28 | C3 | N2 | 111.5° | 109.5° |
| C3 | C28 | H34 | 108.0° | 109.5° |
| C12 | C3 | C2 | 106.0° | 109.5° |
| C12 | C3 | N2 | 107.7° | 109.5° |
| C3 | C12 | H9 | 108.6° | 109.5° |
| C3 | C12 | H10 | 108.6° | 109.4° |
| C3 | C2 | C1 | 115.6° | 109.4° |
| C2 | C3 | N2 | 113.4° | 109.6° |
| C3 | C2 | H15 | 107.9° | 109.4° |
| C3 | C2 | H16 | 107.9° | 109.5° |
| C2 | C1 | N1 | 174.7° | 180.0° |
| C1 | C2 | H15 | 107.9° | 109.5° |
| C1 | C2 | H16 | 107.9° | 109.5° |
| C3 | N2 | N5 | 118.7° | 125.7° |
| C3 | N2 | C4 | 131.8° | 125.6° |
| N5 | N2 | C4 | 109.4° | 108.7° |
| N2 | N5 | C7 | 107.5° | 108.9° |
| N2 | C4 | C5 | 107.4° | 107.5° |
| N2 | C4 | H1 | 126.3° | 126.3° |
| N5 | C7 | C5 | 109.6° | 107.9° |
| N5 | C7 | N4 | 123.6° | 126.1° |
| C4 | C5 | C7 | 106.0° | 107.1° |
| C4 | C5 | C6 | 127.8° | 126.4° |
| C5 | C4 | H1 | 126.3° | 126.2° |
| O2 | C8 | N4 | 121.6° | 120.0° |
| O2 | C8 | C9 | 125.0° | 120.0° |
| C5 | C7 | N4 | 126.7° | 126.1° |
| C7 | C5 | C6 | 126.2° | 126.5° |
| C7 | N4 | C8 | 125.3° | 120.0° |
| C7 | N4 | H17 | 117.4° | 120.0° |
| C5 | C6 | N3 | 118.4° | 120.0° |
| C5 | C6 | O1 | 120.2° | 120.0° |
| N4 | C8 | C9 | 113.4° | 120.0° |
| C8 | N4 | H17 | 117.4° | 119.9° |
| C8 | C9 | C10 | 119.9° | 117.5° |
| C8 | C9 | C11 | 119.2° | 117.5° |
| C8 | C9 | H6 | 116.1° | 115.5° |
| C11 | C10 | C9 | 61.0° | 60.0° |
| C10 | C11 | C9 | 60.9° | 60.0° |
| C10 | C11 | H4 | 119.9° | 117.5° |
| C10 | C11 | H5 | 119.8° | 117.5° |
| C11 | C10 | H7 | 119.8° | 117.5° |
| C11 | C10 | H8 | 119.8° | 117.5° |
| C10 | C9 | C11 | 58.0° | 60.0° |
| C10 | C9 | H6 | 115.6° | 117.5° |
| C9 | C10 | H7 | 119.8° | 117.5° |
| C9 | C10 | H8 | 119.8° | 117.5° |
| C9 | C11 | H4 | 119.9° | 117.4° |
| C9 | C11 | H5 | 119.9° | 117.5° |
| C11 | C9 | H6 | 115.5° | 117.5° |
| N3 | C6 | O1 | 121.2° | 120.0° |
| C6 | N3 | H13 | 120.0° | 120.0° |
| C6 | N3 | H14 | 120.0° | 120.1° |
| H2 | C14 | H3 | 109.5° | 109.5° |
| H4 | C11 | H5 | 109.4° | 115.6° |
| H7 | C10 | H8 | 109.5° | 115.5° |
| H9 | C12 | H10 | 109.5° | 109.5° |
| H11 | C13 | H12 | 109.4° | 109.5° |
| H13 | N3 | H14 | 120.0° | 119.9° |
| H15 | C2 | H16 | 109.5° | 109.6° |
| H22 | C21 | H23 | 109.5° | 109.3° |
| H24 | C22 | H25 | 109.5° | 109.8° |
| H26 | C23 | H27 | 109.5° | 109.8° |
| H28 | C24 | H29 | 109.5° | 109.3° |
| H32 | C27 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H22 | 120.3° | 120.2° |
| C20 | C21 | C22 | H23 | 120.3° | 120.1° |
| C21 | C20 | C19 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 48.2° | 49.8° |
| C21 | C20 | C19 | C24 | 9.3° | 0.5° |
| C21 | C20 | C19 | C18 | 168.4° | 179.7° |
| C20 | C21 | H22 | H23 | 119.1° | 119.6° |
| C20 | C21 | C22 | H24 | 168.7° | 169.4° |
| C20 | C21 | C22 | H25 | 72.2° | 70.0° |
| C22 | C21 | C20 | C19 | 16.2° | 17.3° |
| C21 | C22 | C23 | H24 | 120.5° | 119.6° |
| C21 | C22 | C23 | H25 | 120.5° | 119.8° |
| C21 | C22 | C23 | C24 | 55.9° | 68.0° |
| C22 | C21 | C20 | H21 | 163.8° | 162.8° |
| C22 | C21 | H22 | H23 | 119.0° | 119.7° |
| C21 | C22 | H24 | H25 | 118.5° | 120.5° |
| C21 | C22 | C23 | H26 | 64.5° | 51.7° |
| C21 | C22 | C23 | H27 | 176.3° | 172.3° |
| C20 | C19 | C24 | C23 | 1.8° | 17.2° |
| C20 | C19 | C24 | C18 | 177.8° | 179.8° |
| C20 | C19 | C18 | C25 | 27.6° | 65.2° |
| C20 | C19 | C18 | C17 | 153.5° | 114.5° |
| C19 | C20 | C21 | H22 | 104.1° | 103.0° |
| C19 | C20 | C21 | H23 | 136.5° | 137.4° |
| C20 | C19 | C24 | H28 | 119.1° | 102.8° |
| C20 | C19 | C24 | H29 | 122.6° | 137.7° |
| C22 | C23 | C24 | H26 | 120.4° | 119.7° |
| C22 | C23 | C24 | H27 | 120.4° | 119.7° |
| C22 | C23 | C24 | C19 | 29.7° | 49.7° |
| C23 | C22 | C21 | H22 | 72.1° | 70.5° |
| C23 | C22 | C21 | H23 | 168.5° | 169.9° |
| C23 | C22 | H24 | H25 | 118.5° | 120.5° |
| C22 | C23 | H26 | H27 | 118.8° | 120.5° |
| C22 | C23 | C24 | H28 | 150.6° | 70.4° |
| C22 | C23 | C24 | H29 | 91.1° | 170.0° |
| C23 | C24 | C19 | H28 | 120.8° | 119.9° |
| C23 | C24 | C19 | H29 | 120.8° | 120.5° |
| C23 | C24 | C19 | C18 | 176.0° | 163.1° |
| C24 | C23 | C22 | H24 | 176.4° | 172.4° |
| C24 | C23 | C22 | H25 | 64.6° | 51.8° |
| C24 | C23 | H26 | H27 | 118.8° | 120.5° |
| C23 | C24 | H28 | H29 | 117.4° | 119.8° |
| C24 | C19 | C18 | C25 | 150.2° | 115.0° |
| C24 | C19 | C18 | C17 | 28.7° | 65.3° |
| C24 | C19 | C20 | H21 | 170.7° | 179.6° |
| C19 | C24 | C23 | H26 | 90.7° | 70.0° |
| C19 | C24 | C23 | H27 | 150.1° | 169.4° |
| C19 | C24 | H28 | H29 | 117.4° | 119.6° |
| C19 | C18 | C25 | C17 | 179.0° | 179.7° |
| C19 | C18 | C25 | C26 | 179.7° | 180.0° |
| C19 | C18 | C17 | C16 | 179.3° | 179.7° |
| C19 | C18 | C17 | H20 | 0.7° | 0.2° |
| C18 | C19 | C20 | H21 | 11.6° | 0.2° |
| C18 | C19 | C24 | H28 | 63.2° | 77.0° |
| C18 | C19 | C24 | H29 | 55.2° | 42.6° |
| C19 | C18 | C25 | H30 | 0.3° | 0.2° |
| C18 | C25 | C26 | H30 | 180.0° | 179.8° |
| C25 | C18 | C17 | C16 | 0.3° | 0.0° |
| C18 | C25 | C26 | C15 | 1.3° | 0.5° |
| C25 | C18 | C17 | H20 | 179.7° | 180.0° |
| C18 | C25 | C26 | H31 | 178.7° | 180.0° |
| C17 | C18 | C25 | C26 | 1.3° | 0.2° |
| C18 | C17 | C16 | H20 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.6° | 0.0° |
| C18 | C17 | C16 | H19 | 179.4° | 180.0° |
| C17 | C18 | C25 | H30 | 178.7° | 180.0° |
| C25 | C26 | C15 | H31 | 180.0° | 179.5° |
| C25 | C26 | C15 | C16 | 0.3° | 0.5° |
| C25 | C26 | C15 | C14 | 179.1° | 179.7° |
| C17 | C16 | C15 | C26 | 0.6° | 0.3° |
| C17 | C16 | C15 | H19 | 180.0° | 179.9° |
| C17 | C16 | C15 | C14 | 179.9° | 180.0° |
| C26 | C15 | C16 | C14 | 179.4° | 179.7° |
| C26 | C15 | C14 | N6 | 110.6° | 90.2° |
| C26 | C15 | C14 | H2 | 9.9° | 149.8° |
| C26 | C15 | C14 | H3 | 128.9° | 29.7° |
| C26 | C15 | C16 | H19 | 179.4° | 179.8° |
| C15 | C26 | C25 | H30 | 178.7° | 179.7° |
| C16 | C15 | C14 | N6 | 68.8° | 90.0° |
| C16 | C15 | C14 | H2 | 170.7° | 29.9° |
| C16 | C15 | C14 | H3 | 51.7° | 150.0° |
| C15 | C16 | C17 | H20 | 179.4° | 179.9° |
| C16 | C15 | C26 | H31 | 179.7° | 180.0° |
| C15 | C14 | N6 | H2 | 120.5° | 120.0° |
| C15 | C14 | N6 | H3 | 120.5° | 120.0° |
| C15 | C14 | N6 | C27 | 160.8° | 170.0° |
| C15 | C14 | N6 | C13 | 77.2° | 65.8° |
| C15 | C14 | H2 | H3 | 118.5° | 120.0° |
| C14 | C15 | C16 | H19 | 0.1° | 0.1° |
| C14 | C15 | C26 | H31 | 0.9° | 0.3° |
| C14 | N6 | C27 | C13 | 122.3° | 124.2° |
| C14 | N6 | C27 | C28 | 178.3° | 174.1° |
| C14 | N6 | C13 | C12 | 176.7° | 174.1° |
| N6 | C14 | H2 | H3 | 118.5° | 120.0° |
| C14 | N6 | C13 | H11 | 62.8° | 65.8° |
| C14 | N6 | C13 | H12 | 56.3° | 54.1° |
| C14 | N6 | C27 | H32 | 58.1° | 65.8° |
| C14 | N6 | C27 | H33 | 61.4° | 54.1° |
| N6 | C27 | C28 | H32 | 120.3° | 120.0° |
| N6 | C27 | C28 | H33 | 120.3° | 120.1° |
| C27 | N6 | C13 | C12 | 55.3° | 61.7° |
| N6 | C27 | C28 | F1 | 61.0° | 60.8° |
| N6 | C27 | C28 | C3 | 60.1° | 59.2° |
| C27 | N6 | C14 | H2 | 78.7° | 50.0° |
| C27 | N6 | C14 | H3 | 40.3° | 70.0° |
| C27 | N6 | C13 | H11 | 175.8° | 58.3° |
| C27 | N6 | C13 | H12 | 65.2° | 178.3° |
| N6 | C27 | H32 | H33 | 119.2° | 120.0° |
| N6 | C27 | C28 | H34 | 179.8° | 179.1° |
| C13 | N6 | C27 | C28 | 56.1° | 61.7° |
| N6 | C13 | C12 | H11 | 120.5° | 120.0° |
| N6 | C13 | C12 | H12 | 120.5° | 119.9° |
| N6 | C13 | C12 | C3 | 56.9° | 59.2° |
| C13 | N6 | C14 | H2 | 43.3° | 174.2° |
| C13 | N6 | C14 | H3 | 162.3° | 54.2° |
| N6 | C13 | C12 | H9 | 63.6° | 60.8° |
| N6 | C13 | C12 | H10 | 177.4° | 179.1° |
| N6 | C13 | H11 | H12 | 118.6° | 119.9° |
| C13 | N6 | C27 | H32 | 64.2° | 58.3° |
| C13 | N6 | C27 | H33 | 176.4° | 178.3° |
| C27 | C28 | F1 | C3 | 124.1° | 119.8° |
| C27 | C28 | F1 | H34 | 118.0° | 120.1° |
| C27 | C28 | C3 | H34 | 120.2° | 120.0° |
| C27 | C28 | C3 | C12 | 56.4° | 57.7° |
| C27 | C28 | C3 | C2 | 58.3° | 62.3° |
| C27 | C28 | C3 | N2 | 172.3° | 177.5° |
| C28 | C27 | H32 | H33 | 119.2° | 119.9° |
| C13 | C12 | C3 | C28 | 54.4° | 57.7° |
| C13 | C12 | C3 | H9 | 120.5° | 120.0° |
| C13 | C12 | C3 | H10 | 120.5° | 119.9° |
| C13 | C12 | C3 | C2 | 65.4° | 62.3° |
| C13 | C12 | C3 | N2 | 172.9° | 177.6° |
| C13 | C12 | H9 | H10 | 118.4° | 120.2° |
| C12 | C13 | H11 | H12 | 118.6° | 120.1° |
| F1 | C28 | C3 | H34 | 118.8° | 120.1° |
| F1 | C28 | C3 | C12 | 64.6° | 62.3° |
| F1 | C28 | C3 | C2 | 179.3° | 177.8° |
| F1 | C28 | C3 | N2 | 51.3° | 57.6° |
| F1 | C28 | C27 | H32 | 178.8° | 179.2° |
| F1 | C28 | C27 | H33 | 59.3° | 59.3° |
| C28 | C3 | C12 | C2 | 119.7° | 120.0° |
| C28 | C3 | C12 | N2 | 118.6° | 119.8° |
| C28 | C3 | C2 | N2 | 128.4° | 120.2° |
| C28 | C3 | C2 | C1 | 167.6° | 60.3° |
| C28 | C3 | N2 | N5 | 47.9° | 104.7° |
| C28 | C3 | N2 | C4 | 132.7° | 75.9° |
| C28 | C3 | C12 | H9 | 66.2° | 62.3° |
| C28 | C3 | C12 | H10 | 174.9° | 177.7° |
| C28 | C3 | C2 | H15 | 46.7° | 179.7° |
| C28 | C3 | C2 | H16 | 71.5° | 59.7° |
| C3 | C28 | C27 | H32 | 60.2° | 60.8° |
| C3 | C28 | C27 | H33 | 179.6° | 179.2° |
| C12 | C3 | C2 | N2 | 118.0° | 120.2° |
| C12 | C3 | C2 | C1 | 54.0° | 180.0° |
| C12 | C3 | N2 | N5 | 161.7° | 14.9° |
| C12 | C3 | N2 | C4 | 19.0° | 164.5° |
| C3 | C12 | H9 | H10 | 118.4° | 120.0° |
| C3 | C12 | C13 | H11 | 177.4° | 60.8° |
| C3 | C12 | C13 | H12 | 63.6° | 179.2° |
| C12 | C3 | C2 | H15 | 66.9° | 60.1° |
| C12 | C3 | C2 | H16 | 174.9° | 60.0° |
| C12 | C3 | C28 | H34 | 176.6° | 177.6° |
| C3 | C2 | C1 | H15 | 120.9° | 119.9° |
| C3 | C2 | C1 | H16 | 120.9° | 120.0° |
| C3 | C2 | C1 | N1 | 176.6° | 90.5° |
| C2 | C3 | N2 | N5 | 81.4° | 135.1° |
| C2 | C3 | N2 | C4 | 98.0° | 44.3° |
| C2 | C3 | C12 | H9 | 174.1° | 177.7° |
| C2 | C3 | C12 | H10 | 55.2° | 57.7° |
| C3 | C2 | H15 | H16 | 117.2° | 120.0° |
| C2 | C3 | C28 | H34 | 61.9° | 57.7° |
| C1 | C2 | C3 | N2 | 64.0° | 59.9° |
| C1 | C2 | H15 | H16 | 117.3° | 120.0° |
| C3 | N2 | N5 | C4 | 179.5° | 179.4° |
| C3 | N2 | N5 | C7 | 178.7° | 179.9° |
| C3 | N2 | C4 | C5 | 178.8° | 179.9° |
| C3 | N2 | C4 | H1 | 1.2° | 0.4° |
| N2 | C3 | C12 | H9 | 52.4° | 57.5° |
| N2 | C3 | C12 | H10 | 66.5° | 62.5° |
| N2 | C3 | C2 | H15 | 175.1° | 60.1° |
| N2 | C3 | C2 | H16 | 56.9° | 179.8° |
| N2 | C3 | C28 | H34 | 67.5° | 62.5° |
| N1 | C1 | C2 | H15 | 62.5° | 149.5° |
| N1 | C1 | C2 | H16 | 55.8° | 29.4° |
| N5 | N2 | C4 | C5 | 0.6° | 0.5° |
| N2 | N5 | C7 | C5 | 0.7° | 0.2° |
| N2 | N5 | C7 | N4 | 179.4° | 179.7° |
| N5 | N2 | C4 | H1 | 179.4° | 179.9° |
| C4 | N2 | N5 | C7 | 0.8° | 0.4° |
| N2 | C4 | C5 | H1 | 180.0° | 179.7° |
| N2 | C4 | C5 | C7 | 0.2° | 0.3° |
| N2 | C4 | C5 | C6 | 178.5° | 179.7° |
| N5 | C7 | C5 | C4 | 0.3° | 0.0° |
| N5 | C7 | C5 | N4 | 178.7° | 180.0° |
| N5 | C7 | C5 | C6 | 179.1° | 179.9° |
| N5 | C7 | N4 | C8 | 6.2° | 0.1° |
| N5 | C7 | N4 | H17 | 173.8° | 180.0° |
| C4 | C5 | C7 | C6 | 178.8° | 180.0° |
| C4 | C5 | C7 | N4 | 179.0° | 180.0° |
| C4 | C5 | C6 | N3 | 0.9° | 0.0° |
| C4 | C5 | C6 | O1 | 175.2° | 180.0° |
| O2 | C8 | N4 | C7 | 3.0° | 0.1° |
| O2 | C8 | N4 | C9 | 177.7° | 179.9° |
| O2 | C8 | C9 | C10 | 7.3° | 68.5° |
| O2 | C8 | C9 | C11 | 60.5° | 0.1° |
| O2 | C8 | C9 | H6 | 154.1° | 145.7° |
| O2 | C8 | N4 | H17 | 177.1° | 180.0° |
| C5 | C7 | N4 | C8 | 172.3° | 180.0° |
| C7 | C5 | C6 | N3 | 177.6° | 180.0° |
| C7 | C5 | C6 | O1 | 3.3° | 0.0° |
| C7 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C7 | N4 | H17 | 7.7° | 0.0° |
| N4 | C7 | C5 | C6 | 2.2° | 0.0° |
| C7 | N4 | C8 | H17 | 180.0° | 180.0° |
| C7 | N4 | C8 | C9 | 174.7° | 180.0° |
| C5 | C6 | N3 | O1 | 174.2° | 180.0° |
| C6 | C5 | C4 | H1 | 1.5° | 0.0° |
| C5 | C6 | N3 | H13 | 174.3° | 0.1° |
| C5 | C6 | N3 | H14 | 5.8° | 180.0° |
| N4 | C8 | C9 | C10 | 170.3° | 111.4° |
| N4 | C8 | C9 | C11 | 122.0° | 180.0° |
| N4 | C8 | C9 | H6 | 23.5° | 34.4° |
| C8 | C9 | C11 | C10 | 108.9° | 107.5° |
| C8 | C9 | C10 | H6 | 146.9° | 145.1° |
| C8 | C9 | C11 | H6 | 145.7° | 144.9° |
| C8 | C9 | C11 | H4 | 141.4° | 0.1° |
| C8 | C9 | C11 | H5 | 0.8° | 145.0° |
| C8 | C9 | C10 | H7 | 2.0° | 0.1° |
| C8 | C9 | C10 | H8 | 142.5° | 145.0° |
| C9 | C8 | N4 | H17 | 5.3° | 0.1° |
| C11 | C10 | C9 | H7 | 109.7° | 107.6° |
| C11 | C10 | C9 | H8 | 109.7° | 107.5° |
| C10 | C11 | C9 | H4 | 109.7° | 107.5° |
| C10 | C11 | C9 | H5 | 109.7° | 107.5° |
| C10 | C11 | H4 | H5 | 144.2° | 145.7° |
| C11 | C10 | C9 | H6 | 105.3° | 107.4° |
| C11 | C10 | H7 | H8 | 144.1° | 145.7° |
| C9 | C10 | H7 | H8 | 144.2° | 145.6° |
| C9 | C11 | H4 | H5 | 144.3° | 145.7° |
| C6 | N3 | H13 | H14 | 180.0° | 179.9° |
| O1 | C6 | N3 | H13 | 0.0° | 180.0° |
| O1 | C6 | N3 | H14 | 180.0° | 0.1° |
| H4 | C11 | C9 | H6 | 4.3° | 145.0° |
| H4 | C11 | C10 | H7 | 140.5° | 0.0° |
| H4 | C11 | C10 | H8 | 0.0° | 145.1° |
| H5 | C11 | C9 | H6 | 144.9° | 0.1° |
| H5 | C11 | C10 | H7 | 0.0° | 145.0° |
| H5 | C11 | C10 | H8 | 140.5° | 0.0° |
| H6 | C9 | C10 | H7 | 144.9° | 145.0° |
| H6 | C9 | C10 | H8 | 4.4° | 0.1° |
| H9 | C12 | C13 | H11 | 56.9° | 179.3° |
| H9 | C12 | C13 | H12 | 175.9° | 59.2° |
| H10 | C12 | C13 | H11 | 62.1° | 59.1° |
| H10 | C12 | C13 | H12 | 56.9° | 60.9° |
| H19 | C16 | C17 | H20 | 0.6° | 0.0° |
| H21 | C20 | C21 | H22 | 75.9° | 76.9° |
| H21 | C20 | C21 | H23 | 43.5° | 42.7° |
| H22 | C21 | C22 | H24 | 48.4° | 49.2° |
| H22 | C21 | C22 | H25 | 167.4° | 169.8° |
| H23 | C21 | C22 | H24 | 71.0° | 70.5° |
| H23 | C21 | C22 | H25 | 48.0° | 50.1° |
| H24 | C22 | C23 | H26 | 56.0° | 67.9° |
| H24 | C22 | C23 | H27 | 63.2° | 52.7° |
| H25 | C22 | C23 | H26 | 175.0° | 171.5° |
| H25 | C22 | C23 | H27 | 55.8° | 67.9° |
| H26 | C23 | C24 | H28 | 30.2° | 169.9° |
| H26 | C23 | C24 | H29 | 148.5° | 50.3° |
| H27 | C23 | C24 | H28 | 89.0° | 49.3° |
| H27 | C23 | C24 | H29 | 29.3° | 70.3° |
| H30 | C25 | C26 | H31 | 1.3° | 0.3° |
| H32 | C27 | C28 | H34 | 59.9° | 59.1° |
| H33 | C27 | C28 | H34 | 59.6° | 60.8° |
