ZX3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C7 | doub | 1.22Å | 1.18Å | |
| N4 | C7 | sing | 1.35Å | 1.46Å | |
| C7 | C1 | sing | 1.47Å | 1.54Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
| O2 | C16 | sing | 1.43Å | 1.40Å | |
| O2 | C15 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | sing | 1.53Å | 1.56Å | |
| N5 | C8 | sing | 1.40Å | 1.49Å | |
| N5 | C2 | sing | 1.38Å | 1.48Å | |
| C17 | N6 | sing | 1.47Å | 1.48Å | |
| C8 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | N6 | sing | 1.40Å | 1.51Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| N6 | C14 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | C2 | doub | 1.41Å | 1.42Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | N1 | sing | 1.34Å | 1.33Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | O4 | sing | 1.36Å | 1.43Å | |
| N2 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| O4 | C26 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | sing | 1.51Å | 1.55Å | |
| C3 | N3 | sing | 1.43Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| N3 | C18 | sing | 1.51Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C25 | O3 | sing | 1.43Å | 1.43Å | |
| C18 | C22 | sing | 1.52Å | 1.55Å | |
| C20 | N7 | sing | 1.47Å | 1.29Å | |
| O3 | C24 | sing | 1.43Å | 1.42Å | |
| N7 | C23 | sing | 1.47Å | 1.32Å | |
| N7 | C21 | sing | 1.47Å | 1.34Å | |
| C22 | C21 | sing | 1.53Å | 1.60Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.08Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| C6 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.08Å | 1.08Å | |
| N3 | H34 | sing | 0.97Å | 1.00Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| N4 | H36 | sing | 0.97Å | 1.00Å | |
| N5 | H37 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C7 | N4 | 119.8° | 120.0° |
| O1 | C7 | C1 | 120.2° | 120.0° |
| N4 | C7 | C1 | 120.1° | 120.0° |
| C7 | N4 | H35 | 120.0° | 120.0° |
| C7 | N4 | H36 | 120.0° | 120.0° |
| C7 | C1 | C2 | 120.1° | 119.7° |
| C7 | C1 | N2 | 120.1° | 119.7° |
| C10 | C9 | C8 | 120.4° | 119.5° |
| C9 | C10 | C11 | 120.7° | 120.7° |
| C9 | C10 | H1 | 119.6° | 119.6° |
| C10 | C9 | H33 | 119.8° | 120.3° |
| C9 | C8 | N5 | 118.1° | 116.5° |
| C9 | C8 | C13 | 119.4° | 120.1° |
| C8 | C9 | H33 | 119.8° | 120.2° |
| C10 | C11 | N6 | 117.3° | 120.1° |
| C10 | C11 | C12 | 119.4° | 119.8° |
| C11 | C10 | H1 | 119.6° | 119.7° |
| C16 | O2 | C15 | 109.4° | 113.8° |
| O2 | C16 | C17 | 112.4° | 109.2° |
| O2 | C16 | H7 | 108.7° | 109.6° |
| O2 | C16 | H8 | 108.7° | 109.5° |
| O2 | C15 | C14 | 110.5° | 109.2° |
| O2 | C15 | H5 | 109.2° | 109.4° |
| O2 | C15 | H6 | 109.2° | 109.5° |
| C16 | C17 | N6 | 113.1° | 109.2° |
| C17 | C16 | H7 | 108.7° | 109.5° |
| C17 | C16 | H8 | 108.7° | 109.5° |
| C16 | C17 | H9 | 108.5° | 109.5° |
| C16 | C17 | H10 | 108.6° | 109.6° |
| C8 | N5 | C2 | 124.7° | 123.2° |
| N5 | C8 | C13 | 122.5° | 123.3° |
| C8 | N5 | H37 | 117.7° | 118.4° |
| N5 | C2 | C1 | 119.4° | 118.3° |
| N5 | C2 | N1 | 120.8° | 122.7° |
| C2 | N5 | H37 | 117.6° | 118.4° |
| C17 | N6 | C11 | 117.6° | 111.0° |
| C17 | N6 | C14 | 121.6° | 110.7° |
| N6 | C17 | H9 | 108.6° | 109.5° |
| N6 | C17 | H10 | 108.5° | 109.5° |
| C8 | C13 | C12 | 120.4° | 120.4° |
| C8 | C13 | H2 | 119.8° | 119.8° |
| N6 | C11 | C12 | 123.3° | 120.1° |
| C11 | N6 | C14 | 120.8° | 111.0° |
| C11 | C12 | C13 | 119.7° | 119.5° |
| C11 | C12 | O4 | 120.5° | 120.0° |
| N6 | C14 | C15 | 111.7° | 109.3° |
| N6 | C14 | H3 | 108.9° | 109.5° |
| N6 | C14 | H4 | 108.9° | 109.5° |
| C15 | C14 | H3 | 108.9° | 109.5° |
| C15 | C14 | H4 | 108.9° | 109.5° |
| C14 | C15 | H5 | 109.2° | 109.5° |
| C14 | C15 | H6 | 109.2° | 109.6° |
| C2 | C1 | N2 | 119.8° | 120.6° |
| C1 | C2 | N1 | 119.8° | 118.8° |
| C1 | N2 | C4 | 120.4° | 119.8° |
| C2 | N1 | C3 | 120.1° | 119.7° |
| C13 | C12 | O4 | 119.9° | 120.5° |
| C12 | C13 | H2 | 119.8° | 119.8° |
| C12 | O4 | C26 | 115.3° | 117.7° |
| N2 | C4 | C3 | 119.7° | 120.0° |
| N2 | C4 | C5 | 119.8° | 120.0° |
| N1 | C3 | C4 | 120.3° | 121.0° |
| N1 | C3 | N3 | 119.6° | 120.9° |
| O4 | C26 | C25 | 109.5° | 109.9° |
| O4 | C26 | H26 | 109.5° | 109.5° |
| O4 | C26 | H27 | 109.4° | 109.3° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C4 | C3 | N3 | 120.2° | 118.1° |
| C4 | C5 | C6 | 110.1° | 109.5° |
| C4 | C5 | H28 | 109.3° | 109.5° |
| C4 | C5 | H29 | 109.3° | 109.4° |
| C3 | N3 | C18 | 122.8° | 108.9° |
| C3 | N3 | H34 | 106.0° | 125.5° |
| C6 | C5 | H28 | 109.3° | 109.5° |
| C6 | C5 | H29 | 109.3° | 109.5° |
| C5 | C6 | H30 | 109.5° | 109.5° |
| C5 | C6 | H31 | 109.5° | 109.5° |
| C5 | C6 | H32 | 109.4° | 109.5° |
| C26 | C25 | O3 | 109.1° | 109.8° |
| C26 | C25 | H24 | 109.6° | 109.4° |
| C26 | C25 | H25 | 109.6° | 109.3° |
| C25 | C26 | H26 | 109.5° | 109.4° |
| C25 | C26 | H27 | 109.5° | 109.4° |
| N3 | C18 | C19 | 110.9° | 107.4° |
| N3 | C18 | C22 | 108.4° | 108.3° |
| N3 | C18 | H11 | 109.5° | 107.8° |
| C18 | N3 | H34 | 106.1° | 125.6° |
| C18 | C19 | C20 | 112.3° | 110.0° |
| C19 | C18 | C22 | 110.6° | 110.1° |
| C19 | C18 | H11 | 108.9° | 111.6° |
| C18 | C19 | H12 | 108.8° | 109.3° |
| C18 | C19 | H13 | 108.7° | 109.4° |
| C19 | C20 | N7 | 111.1° | 109.8° |
| C20 | C19 | H12 | 108.8° | 109.4° |
| C20 | C19 | H13 | 108.8° | 109.4° |
| C19 | C20 | H14 | 109.1° | 109.4° |
| C19 | C20 | H15 | 109.1° | 109.4° |
| C25 | O3 | C24 | 115.0° | 113.9° |
| O3 | C25 | H24 | 109.6° | 109.5° |
| O3 | C25 | H25 | 109.6° | 109.4° |
| C18 | C22 | C21 | 112.1° | 109.9° |
| C22 | C18 | H11 | 108.5° | 111.5° |
| C18 | C22 | H18 | 108.8° | 109.4° |
| C18 | C22 | H19 | 108.8° | 109.4° |
| C20 | N7 | C23 | 109.2° | 110.3° |
| C20 | N7 | C21 | 109.5° | 111.2° |
| N7 | C20 | H14 | 109.1° | 109.4° |
| N7 | C20 | H15 | 109.1° | 109.4° |
| O3 | C24 | C23 | 110.8° | 109.1° |
| O3 | C24 | H22 | 109.1° | 109.5° |
| O3 | C24 | H23 | 109.1° | 109.6° |
| C23 | N7 | C21 | 110.2° | 110.5° |
| N7 | C23 | C24 | 111.0° | 108.3° |
| N7 | C23 | H20 | 109.1° | 109.7° |
| N7 | C23 | H21 | 109.1° | 109.7° |
| N7 | C21 | C22 | 111.1° | 109.8° |
| N7 | C21 | H16 | 109.1° | 109.4° |
| N7 | C21 | H17 | 109.0° | 109.4° |
| C22 | C21 | H16 | 109.0° | 109.4° |
| C22 | C21 | H17 | 109.0° | 109.4° |
| C21 | C22 | H18 | 108.8° | 109.4° |
| C21 | C22 | H19 | 108.8° | 109.4° |
| C24 | C23 | H20 | 109.1° | 109.7° |
| C24 | C23 | H21 | 109.1° | 109.7° |
| C23 | C24 | H22 | 109.1° | 109.5° |
| C23 | C24 | H23 | 109.2° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H7 | C16 | H8 | 109.4° | 109.5° |
| H9 | C17 | H10 | 109.5° | 109.6° |
| H12 | C19 | H13 | 109.5° | 109.3° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.4° |
| H18 | C22 | H19 | 109.5° | 109.3° |
| H20 | C23 | H21 | 109.5° | 109.7° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.4° | 109.4° |
| H26 | C26 | H27 | 109.5° | 109.4° |
| H28 | C5 | H29 | 109.5° | 109.5° |
| H30 | C6 | H31 | 109.5° | 109.4° |
| H30 | C6 | H32 | 109.4° | 109.5° |
| H31 | C6 | H32 | 109.5° | 109.5° |
| H35 | N4 | H36 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C7 | N4 | C1 | 179.5° | 180.0° |
| O1 | C7 | C1 | C2 | 21.6° | 0.0° |
| O1 | C7 | C1 | N2 | 158.4° | 179.8° |
| O1 | C7 | N4 | H35 | 0.0° | 179.9° |
| O1 | C7 | N4 | H36 | 180.0° | 0.1° |
| N4 | C7 | C1 | C2 | 158.9° | 180.0° |
| N4 | C7 | C1 | N2 | 21.1° | 0.3° |
| C7 | N4 | H35 | H36 | 180.0° | 179.9° |
| C7 | C1 | C2 | N5 | 0.5° | 9.4° |
| C7 | C1 | C2 | N2 | 180.0° | 179.7° |
| C7 | C1 | C2 | N1 | 179.8° | 175.8° |
| C7 | C1 | N2 | C4 | 179.6° | 178.8° |
| C1 | C7 | N4 | H35 | 179.5° | 0.1° |
| C1 | C7 | N4 | H36 | 0.5° | 180.0° |
| C10 | C9 | C8 | H33 | 180.0° | 179.9° |
| C9 | C10 | C11 | H1 | 180.0° | 179.9° |
| C10 | C9 | C8 | N5 | 179.6° | 177.6° |
| C10 | C9 | C8 | C13 | 1.0° | 1.0° |
| C9 | C10 | C11 | N6 | 179.8° | 178.1° |
| C9 | C10 | C11 | C12 | 0.3° | 2.0° |
| C8 | C9 | C10 | C11 | 0.7° | 1.6° |
| C9 | C8 | N5 | C13 | 178.5° | 178.5° |
| C9 | C8 | N5 | C2 | 126.7° | 114.4° |
| C9 | C8 | C13 | C12 | 0.9° | 3.2° |
| C8 | C9 | C10 | H1 | 179.3° | 178.5° |
| C9 | C8 | C13 | H2 | 179.1° | 176.8° |
| C9 | C8 | N5 | H37 | 53.4° | 65.7° |
| C10 | C11 | N6 | C17 | 43.9° | 60.0° |
| C10 | C11 | N6 | C12 | 179.9° | 179.9° |
| C10 | C11 | N6 | C14 | 135.2° | 63.6° |
| C10 | C11 | C12 | C13 | 0.2° | 0.2° |
| C10 | C11 | C12 | O4 | 180.0° | 178.7° |
| C11 | C10 | C9 | H33 | 179.3° | 178.5° |
| O2 | C16 | C17 | H7 | 120.5° | 120.0° |
| O2 | C16 | C17 | H8 | 120.5° | 120.0° |
| O2 | C16 | C17 | N6 | 15.2° | 56.9° |
| C16 | O2 | C15 | C14 | 72.5° | 58.7° |
| C16 | O2 | C15 | H5 | 167.3° | 61.2° |
| C16 | O2 | C15 | H6 | 47.6° | 178.7° |
| O2 | C16 | H7 | H8 | 118.7° | 120.2° |
| O2 | C16 | C17 | H9 | 135.8° | 176.7° |
| O2 | C16 | C17 | H10 | 105.3° | 63.1° |
| C15 | O2 | C16 | C17 | 62.0° | 58.7° |
| O2 | C15 | C14 | N6 | 33.7° | 56.9° |
| O2 | C15 | C14 | H5 | 120.1° | 119.9° |
| O2 | C15 | C14 | H6 | 120.1° | 120.0° |
| O2 | C15 | C14 | H3 | 154.0° | 63.1° |
| O2 | C15 | C14 | H4 | 86.7° | 176.8° |
| O2 | C15 | H5 | H6 | 119.5° | 120.1° |
| C15 | O2 | C16 | H7 | 58.4° | 178.6° |
| C15 | O2 | C16 | H8 | 177.5° | 61.3° |
| C16 | C17 | N6 | H9 | 120.5° | 119.9° |
| C16 | C17 | N6 | H10 | 120.6° | 120.0° |
| C16 | C17 | N6 | C11 | 158.4° | 177.6° |
| C16 | C17 | N6 | C14 | 20.8° | 58.6° |
| C17 | C16 | H7 | H8 | 118.6° | 120.1° |
| C16 | C17 | H9 | H10 | 118.3° | 120.2° |
| C8 | N5 | C2 | H37 | 180.0° | 180.0° |
| C8 | N5 | C2 | C1 | 145.9° | 124.2° |
| C8 | N5 | C2 | N1 | 34.7° | 61.1° |
| N5 | C8 | C13 | C12 | 179.4° | 175.2° |
| N5 | C8 | C13 | H2 | 0.6° | 4.8° |
| N5 | C8 | C9 | H33 | 0.4° | 2.5° |
| C2 | N5 | C8 | C13 | 54.8° | 67.1° |
| N5 | C2 | C1 | N1 | 179.3° | 174.8° |
| N5 | C2 | C1 | N2 | 179.5° | 170.9° |
| N5 | C2 | N1 | C3 | 179.9° | 170.1° |
| C17 | N6 | C11 | C14 | 179.2° | 123.6° |
| C17 | N6 | C11 | C12 | 136.0° | 120.0° |
| C17 | N6 | C14 | C15 | 11.6° | 58.7° |
| C17 | N6 | C14 | H3 | 108.7° | 61.3° |
| C17 | N6 | C14 | H4 | 131.9° | 178.6° |
| N6 | C17 | C16 | H7 | 105.2° | 176.8° |
| N6 | C17 | C16 | H8 | 135.7° | 63.1° |
| N6 | C17 | H9 | H10 | 118.3° | 120.1° |
| C8 | C13 | C12 | C11 | 0.5° | 2.9° |
| C8 | C13 | C12 | H2 | 180.0° | 180.0° |
| C8 | C13 | C12 | O4 | 179.7° | 176.1° |
| C13 | C8 | C9 | H33 | 179.0° | 178.9° |
| C13 | C8 | N5 | H37 | 125.2° | 112.9° |
| C11 | N6 | C14 | C15 | 167.5° | 177.6° |
| N6 | C11 | C12 | C13 | 179.9° | 179.7° |
| N6 | C11 | C12 | O4 | 0.1° | 1.3° |
| N6 | C11 | C10 | H1 | 0.2° | 1.8° |
| C11 | N6 | C14 | H3 | 72.1° | 62.4° |
| C11 | N6 | C14 | H4 | 47.2° | 57.6° |
| C11 | N6 | C17 | H9 | 81.1° | 57.7° |
| C11 | N6 | C17 | H10 | 37.8° | 62.4° |
| C12 | C11 | N6 | C14 | 44.9° | 116.4° |
| C11 | C12 | C13 | O4 | 179.8° | 179.0° |
| C11 | C12 | O4 | C26 | 144.4° | 121.3° |
| C12 | C11 | C10 | H1 | 179.7° | 178.1° |
| C11 | C12 | C13 | H2 | 179.5° | 177.2° |
| N6 | C14 | C15 | H3 | 120.3° | 120.0° |
| N6 | C14 | C15 | H4 | 120.4° | 120.0° |
| N6 | C14 | H3 | H4 | 119.0° | 120.0° |
| N6 | C14 | C15 | H5 | 153.8° | 63.0° |
| N6 | C14 | C15 | H6 | 86.4° | 176.9° |
| C14 | N6 | C17 | H9 | 99.8° | 178.5° |
| C14 | N6 | C17 | H10 | 141.3° | 61.4° |
| C15 | C14 | H3 | H4 | 119.0° | 120.1° |
| C14 | C15 | H5 | H6 | 119.6° | 120.2° |
| C2 | C1 | N2 | C4 | 0.4° | 0.9° |
| C1 | C2 | N1 | C3 | 0.8° | 4.5° |
| C1 | C2 | N5 | H37 | 34.1° | 55.8° |
| N2 | C1 | C2 | N1 | 0.2° | 4.0° |
| C1 | N2 | C4 | C3 | 0.4° | 1.4° |
| C1 | N2 | C4 | C5 | 179.7° | 178.5° |
| C2 | N1 | C3 | C4 | 0.8° | 2.3° |
| C2 | N1 | C3 | N3 | 180.0° | 175.6° |
| N1 | C2 | N5 | H37 | 145.2° | 118.8° |
| C13 | C12 | O4 | C26 | 35.8° | 59.7° |
| C12 | O4 | C26 | C25 | 149.5° | 116.4° |
| O4 | C12 | C13 | H2 | 0.3° | 3.9° |
| C12 | O4 | C26 | H26 | 29.5° | 123.5° |
| C12 | O4 | C26 | H27 | 90.5° | 3.7° |
| N2 | C4 | C3 | N1 | 0.2° | 0.9° |
| N2 | C4 | C3 | C5 | 179.9° | 180.0° |
| N2 | C4 | C3 | N3 | 179.4° | 178.8° |
| N2 | C4 | C5 | C6 | 47.7° | 90.0° |
| N2 | C4 | C5 | H28 | 167.8° | 30.0° |
| N2 | C4 | C5 | H29 | 72.4° | 150.0° |
| N1 | C3 | C4 | N3 | 179.1° | 177.9° |
| N1 | C3 | C4 | C5 | 179.7° | 179.1° |
| N1 | C3 | N3 | C18 | 74.4° | 13.6° |
| N1 | C3 | N3 | H34 | 163.8° | 166.4° |
| O4 | C26 | C25 | H26 | 120.0° | 120.2° |
| O4 | C26 | C25 | H27 | 120.0° | 120.0° |
| O4 | C26 | C25 | O3 | 167.9° | 168.4° |
| O4 | C26 | C25 | H24 | 47.9° | 71.4° |
| O4 | C26 | C25 | H25 | 72.1° | 48.3° |
| O4 | C26 | H26 | H27 | 119.9° | 119.8° |
| C3 | C4 | C5 | C6 | 132.3° | 90.0° |
| C4 | C3 | N3 | C18 | 106.5° | 168.5° |
| C3 | C4 | C5 | H28 | 12.2° | 150.0° |
| C3 | C4 | C5 | H29 | 107.6° | 30.0° |
| C4 | C3 | N3 | H34 | 15.3° | 11.5° |
| C5 | C4 | C3 | N3 | 0.6° | 1.2° |
| C4 | C5 | C6 | H28 | 120.1° | 120.0° |
| C4 | C5 | C6 | H29 | 120.1° | 120.0° |
| C4 | C5 | H28 | H29 | 119.7° | 120.0° |
| C4 | C5 | C6 | H30 | 180.0° | 60.1° |
| C4 | C5 | C6 | H31 | 60.0° | 180.0° |
| C4 | C5 | C6 | H32 | 60.0° | 60.0° |
| C3 | N3 | C18 | H34 | 121.8° | 180.0° |
| C3 | N3 | C18 | C19 | 48.9° | 116.3° |
| C3 | N3 | C18 | C22 | 170.5° | 124.8° |
| C3 | N3 | C18 | H11 | 71.2° | 4.1° |
| C6 | C5 | H28 | H29 | 119.7° | 120.0° |
| C5 | C6 | H30 | H31 | 120.0° | 120.0° |
| C5 | C6 | H30 | H32 | 120.0° | 120.1° |
| C5 | C6 | H31 | H32 | 120.0° | 120.0° |
| C26 | C25 | O3 | H24 | 119.9° | 120.2° |
| C26 | C25 | O3 | H25 | 120.0° | 120.0° |
| C26 | C25 | O3 | C24 | 135.6° | 150.5° |
| C26 | C25 | H24 | H25 | 120.2° | 119.7° |
| C25 | C26 | H26 | H27 | 120.0° | 119.8° |
| N3 | C18 | C19 | C22 | 120.3° | 117.7° |
| N3 | C18 | C19 | H11 | 120.6° | 118.0° |
| N3 | C18 | C19 | C20 | 158.1° | 173.1° |
| N3 | C18 | C22 | H11 | 118.9° | 118.5° |
| N3 | C18 | C22 | C21 | 153.6° | 172.7° |
| N3 | C18 | C19 | H12 | 37.6° | 53.0° |
| N3 | C18 | C19 | H13 | 81.5° | 66.6° |
| N3 | C18 | C22 | H18 | 86.0° | 67.1° |
| N3 | C18 | C22 | H19 | 33.2° | 52.5° |
| C18 | C19 | C20 | H12 | 120.4° | 120.1° |
| C18 | C19 | C20 | H13 | 120.4° | 120.2° |
| C19 | C18 | C22 | H11 | 119.3° | 124.4° |
| C18 | C19 | C20 | N7 | 59.6° | 57.8° |
| C19 | C18 | C22 | C21 | 31.8° | 55.6° |
| C18 | C19 | H12 | H13 | 118.7° | 119.7° |
| C18 | C19 | C20 | H14 | 179.9° | 177.9° |
| C18 | C19 | C20 | H15 | 60.6° | 62.3° |
| C19 | C18 | C22 | H18 | 152.2° | 175.7° |
| C19 | C18 | C22 | H19 | 88.6° | 64.6° |
| C19 | C18 | N3 | H34 | 170.8° | 63.6° |
| C20 | C19 | C18 | C22 | 37.8° | 55.5° |
| C19 | C20 | N7 | H14 | 120.2° | 120.1° |
| C19 | C20 | N7 | H15 | 120.3° | 120.1° |
| C19 | C20 | N7 | C23 | 164.3° | 175.7° |
| C19 | C20 | N7 | C21 | 74.8° | 61.4° |
| C20 | C19 | C18 | H11 | 81.4° | 68.9° |
| C20 | C19 | H12 | H13 | 118.7° | 119.8° |
| C19 | C20 | H14 | H15 | 119.3° | 119.8° |
| C25 | O3 | C24 | C23 | 81.6° | 154.6° |
| C25 | O3 | C24 | H22 | 158.2° | 34.7° |
| C25 | O3 | C24 | H23 | 38.6° | 85.5° |
| O3 | C25 | H24 | H25 | 120.2° | 119.9° |
| O3 | C25 | C26 | H26 | 72.1° | 71.5° |
| O3 | C25 | C26 | H27 | 47.9° | 48.4° |
| C18 | C22 | C21 | N7 | 45.3° | 58.1° |
| C18 | C22 | C21 | H18 | 120.4° | 120.2° |
| C18 | C22 | C21 | H19 | 120.4° | 120.1° |
| C22 | C18 | C19 | H12 | 82.7° | 64.7° |
| C22 | C18 | C19 | H13 | 158.2° | 175.7° |
| C18 | C22 | C21 | H16 | 165.5° | 62.0° |
| C18 | C22 | C21 | H17 | 75.0° | 178.2° |
| C18 | C22 | H18 | H19 | 118.8° | 119.7° |
| C22 | C18 | N3 | H34 | 67.7° | 55.2° |
| C20 | N7 | C23 | C21 | 120.4° | 123.3° |
| C20 | N7 | C21 | C22 | 66.8° | 61.5° |
| C20 | N7 | C23 | C24 | 132.3° | 66.6° |
| N7 | C20 | C19 | H12 | 60.8° | 62.3° |
| N7 | C20 | C19 | H13 | 180.0° | 178.0° |
| N7 | C20 | H14 | H15 | 119.2° | 119.8° |
| C20 | N7 | C21 | H16 | 172.9° | 58.6° |
| C20 | N7 | C21 | H17 | 53.4° | 178.4° |
| C20 | N7 | C23 | H20 | 12.1° | 53.2° |
| C20 | N7 | C23 | H21 | 107.5° | 173.7° |
| O3 | C24 | C23 | N7 | 31.5° | 32.3° |
| O3 | C24 | C23 | H22 | 120.2° | 119.9° |
| O3 | C24 | C23 | H23 | 120.2° | 120.0° |
| O3 | C24 | C23 | H20 | 88.8° | 87.5° |
| O3 | C24 | C23 | H21 | 151.7° | 151.9° |
| O3 | C24 | H22 | H23 | 119.4° | 120.2° |
| C24 | O3 | C25 | H24 | 104.4° | 30.4° |
| C24 | O3 | C25 | H25 | 15.6° | 89.5° |
| C23 | N7 | C21 | C22 | 172.9° | 175.7° |
| N7 | C23 | C24 | H20 | 120.2° | 119.8° |
| N7 | C23 | C24 | H21 | 120.2° | 119.7° |
| C23 | N7 | C20 | H14 | 44.1° | 55.6° |
| C23 | N7 | C20 | H15 | 75.4° | 64.2° |
| C23 | N7 | C21 | H16 | 52.7° | 64.2° |
| C23 | N7 | C21 | H17 | 66.8° | 55.6° |
| N7 | C23 | H20 | H21 | 119.3° | 120.5° |
| N7 | C23 | C24 | H22 | 88.7° | 87.6° |
| N7 | C23 | C24 | H23 | 151.7° | 152.3° |
| N7 | C21 | C22 | H16 | 120.3° | 120.1° |
| N7 | C21 | C22 | H17 | 120.2° | 120.1° |
| C21 | N7 | C23 | C24 | 107.3° | 56.7° |
| C21 | N7 | C20 | H14 | 164.9° | 178.5° |
| C21 | N7 | C20 | H15 | 45.4° | 58.7° |
| N7 | C21 | H16 | H17 | 119.3° | 119.9° |
| N7 | C21 | C22 | H18 | 165.7° | 178.3° |
| N7 | C21 | C22 | H19 | 75.1° | 62.0° |
| C21 | N7 | C23 | H20 | 132.5° | 176.5° |
| C21 | N7 | C23 | H21 | 13.0° | 63.0° |
| C21 | C22 | C18 | H11 | 87.5° | 68.8° |
| C22 | C21 | H16 | H17 | 119.2° | 119.8° |
| C21 | C22 | H18 | H19 | 118.8° | 119.8° |
| C24 | C23 | H20 | H21 | 119.3° | 120.6° |
| C23 | C24 | H22 | H23 | 119.4° | 120.1° |
| H1 | C10 | C9 | H33 | 0.7° | 1.4° |
| H3 | C14 | C15 | H5 | 85.8° | 177.0° |
| H3 | C14 | C15 | H6 | 33.9° | 56.9° |
| H4 | C14 | C15 | H5 | 33.5° | 57.0° |
| H4 | C14 | C15 | H6 | 153.2° | 63.2° |
| H7 | C16 | C17 | H9 | 15.3° | 63.3° |
| H7 | C16 | C17 | H10 | 134.2° | 56.9° |
| H8 | C16 | C17 | H9 | 103.8° | 56.8° |
| H8 | C16 | C17 | H10 | 15.1° | 177.0° |
| H11 | C18 | C19 | H12 | 158.2° | 171.0° |
| H11 | C18 | C19 | H13 | 39.1° | 51.3° |
| H11 | C18 | C22 | H18 | 32.8° | 51.3° |
| H11 | C18 | C22 | H19 | 152.1° | 171.0° |
| H11 | C18 | N3 | H34 | 50.6° | 176.0° |
| H12 | C19 | C20 | H14 | 59.4° | 57.8° |
| H12 | C19 | C20 | H15 | 179.0° | 177.6° |
| H13 | C19 | C20 | H14 | 59.7° | 61.9° |
| H13 | C19 | C20 | H15 | 59.8° | 57.9° |
| H16 | C21 | C22 | H18 | 74.1° | 58.2° |
| H16 | C21 | C22 | H19 | 45.2° | 177.9° |
| H17 | C21 | C22 | H18 | 45.4° | 61.7° |
| H17 | C21 | C22 | H19 | 164.7° | 58.0° |
| H20 | C23 | C24 | H22 | 151.1° | 152.6° |
| H20 | C23 | C24 | H23 | 31.4° | 32.5° |
| H21 | C23 | C24 | H22 | 31.6° | 32.1° |
| H21 | C23 | C24 | H23 | 88.1° | 88.1° |
| H24 | C25 | C26 | H26 | 168.0° | 48.7° |
| H24 | C25 | C26 | H27 | 72.0° | 168.5° |
| H25 | C25 | C26 | H26 | 47.9° | 168.5° |
| H25 | C25 | C26 | H27 | 167.9° | 71.7° |
| H28 | C5 | C6 | H30 | 59.9° | 59.9° |
| H28 | C5 | C6 | H31 | 179.9° | 60.0° |
| H28 | C5 | C6 | H32 | 60.1° | NaN° |
| H29 | C5 | C6 | H30 | 59.9° | 180.0° |
| H29 | C5 | C6 | H31 | 60.1° | 60.0° |
| H29 | C5 | C6 | H32 | 179.9° | 60.0° |
| H30 | C6 | H31 | H32 | 120.0° | 120.0° |
