0Z7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.45Å | |
| C12 | C11 | doub | 1.38Å | 1.36Å | Aromatic |
| C12 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C2 | sing | 1.43Å | 1.39Å | |
| C2 | C21 | sing | 1.53Å | 1.46Å | |
| C10 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| O2 | C3 | doub | 1.21Å | 1.24Å | |
| C13 | C3 | sing | 1.51Å | 1.47Å | |
| C13 | N2 | sing | 1.47Å | 1.36Å | |
| C3 | N3 | sing | 1.35Å | 1.44Å | |
| C9 | C7 | doub | 1.38Å | 1.37Å | Aromatic |
| N2 | C5 | sing | 1.35Å | 1.44Å | |
| N3 | C21 | sing | 1.47Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C8 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.51Å | 1.18Å | |
| C5 | C4 | sing | 1.51Å | 1.47Å | |
| C5 | O1 | doub | 1.21Å | 1.22Å | |
| C4 | C6 | sing | 1.53Å | 1.45Å | |
| C4 | N1 | sing | 1.47Å | 1.39Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C26 | N1 | sing | 1.35Å | 1.08Å | |
| C26 | O4 | doub | 1.21Å | 1.20Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | N4 | sing | 1.46Å | 1.44Å | |
| N4 | C25 | sing | 1.37Å | 1.43Å | |
| C25 | N6 | doub | 1.33Å | 1.30Å | |
| C25 | N5 | sing | 1.33Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H22 | sing | 1.08Å | 1.08Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| O3 | H25 | sing | 0.97Å | 0.95Å | |
| C22 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| N4 | H32 | sing | 0.97Å | 1.00Å | |
| N5 | H33 | sing | 0.97Å | 1.00Å | |
| N5 | H34 | sing | 0.97Å | 1.00Å | |
| N6 | H35 | sing | 0.97Å | 1.00Å | |
| N6 | H39 | sing | 0.97Å | 1.00Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C1 | CL1 | sing | 1.80Å | 1.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C18 | C20 | 120.9° | 120.0° |
| C18 | C16 | C15 | 118.8° | 120.0° |
| C18 | C16 | H18 | 120.6° | 120.0° |
| C16 | C18 | H20 | 119.5° | 119.9° |
| C18 | C20 | C19 | 119.9° | 120.0° |
| C20 | C18 | H20 | 119.5° | 120.0° |
| C18 | C20 | H22 | 120.1° | 120.0° |
| C16 | C15 | C14 | 123.1° | 120.0° |
| C16 | C15 | C17 | 119.3° | 120.0° |
| C15 | C16 | H18 | 120.6° | 120.0° |
| C20 | C19 | C17 | 119.8° | 120.0° |
| C20 | C19 | H21 | 120.1° | 120.0° |
| C19 | C20 | H22 | 120.1° | 120.0° |
| C1 | C2 | O3 | 106.2° | 109.5° |
| C1 | C2 | C21 | 114.6° | 109.5° |
| C2 | C1 | H1 | 105.0° | 109.5° |
| C2 | C1 | H2 | 105.0° | 109.5° |
| C1 | C2 | H4 | 107.2° | 109.5° |
| C2 | C1 | CL1 | 126.7° | 109.5° |
| C14 | C15 | C17 | 117.3° | 120.0° |
| C15 | C14 | C13 | 120.8° | 109.4° |
| C15 | C14 | H16 | 106.5° | 109.5° |
| C15 | C14 | H17 | 106.6° | 109.5° |
| C15 | C17 | C19 | 121.3° | 120.0° |
| C15 | C17 | H19 | 119.3° | 120.0° |
| C14 | C13 | C3 | 105.7° | 109.5° |
| C14 | C13 | N2 | 107.5° | 109.4° |
| C14 | C13 | H15 | 108.9° | 109.5° |
| C13 | C14 | H16 | 106.6° | 109.5° |
| C13 | C14 | H17 | 106.6° | 109.4° |
| C11 | C12 | C10 | 118.4° | 120.0° |
| C12 | C11 | C9 | 121.5° | 120.0° |
| C12 | C11 | H12 | 119.2° | 120.0° |
| C11 | C12 | H13 | 120.8° | 120.0° |
| C12 | C10 | C8 | 118.9° | 119.9° |
| C12 | C10 | H11 | 120.5° | 120.0° |
| C10 | C12 | H13 | 120.8° | 120.0° |
| C11 | C9 | C7 | 121.3° | 120.0° |
| C11 | C9 | H10 | 119.3° | 119.9° |
| C9 | C11 | H12 | 119.2° | 120.0° |
| C19 | C17 | H19 | 119.4° | 120.0° |
| C17 | C19 | H21 | 120.1° | 120.0° |
| O3 | C2 | C21 | 111.9° | 109.5° |
| O3 | C2 | H4 | 108.9° | 109.5° |
| C2 | O3 | H25 | 109.5° | 114.0° |
| C2 | C21 | N3 | 114.5° | 109.5° |
| C2 | C21 | C22 | 113.5° | 109.4° |
| C21 | C2 | H4 | 107.9° | 109.5° |
| C2 | C21 | H24 | 107.4° | 109.5° |
| C10 | C8 | C7 | 123.6° | 120.0° |
| C10 | C8 | H9 | 118.2° | 119.9° |
| C8 | C10 | H11 | 120.6° | 120.0° |
| O2 | C3 | C13 | 121.5° | 120.0° |
| O2 | C3 | N3 | 122.6° | 120.0° |
| C3 | C13 | N2 | 115.6° | 109.5° |
| C13 | C3 | N3 | 115.9° | 119.9° |
| C3 | C13 | H15 | 108.6° | 109.5° |
| C13 | N2 | C5 | 118.9° | 120.0° |
| C13 | N2 | H14 | 120.5° | 120.0° |
| N2 | C13 | H15 | 110.2° | 109.4° |
| C3 | N3 | C21 | 122.0° | 120.0° |
| C3 | N3 | H23 | 119.0° | 120.0° |
| C9 | C7 | C8 | 116.2° | 120.0° |
| C9 | C7 | C6 | 122.8° | 120.1° |
| C7 | C9 | H10 | 119.4° | 120.0° |
| N2 | C5 | C4 | 116.6° | 120.0° |
| N2 | C5 | O1 | 118.4° | 120.0° |
| C5 | N2 | H14 | 120.5° | 120.0° |
| N3 | C21 | C22 | 105.9° | 109.4° |
| C21 | N3 | H23 | 119.0° | 120.0° |
| N3 | C21 | H24 | 108.0° | 109.5° |
| C21 | C22 | C23 | 116.1° | 109.4° |
| C22 | C21 | H24 | 107.2° | 109.5° |
| C21 | C22 | H26 | 107.8° | 109.5° |
| C21 | C22 | H27 | 107.8° | 109.5° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C7 | C8 | H9 | 118.2° | 120.0° |
| C7 | C6 | C4 | 116.5° | 109.5° |
| C7 | C6 | H7 | 107.7° | 109.5° |
| C7 | C6 | H8 | 107.7° | 109.4° |
| C27 | C26 | N1 | 127.8° | 120.0° |
| C27 | C26 | O4 | 111.1° | 120.1° |
| C26 | C27 | H36 | 109.5° | 109.4° |
| C26 | C27 | H37 | 109.5° | 109.5° |
| C26 | C27 | H38 | 109.5° | 109.5° |
| C4 | C5 | O1 | 124.9° | 120.0° |
| C5 | C4 | C6 | 110.2° | 109.5° |
| C5 | C4 | N1 | 114.3° | 109.4° |
| C5 | C4 | H6 | 106.4° | 109.5° |
| C6 | C4 | N1 | 111.6° | 109.5° |
| C6 | C4 | H6 | 106.6° | 109.5° |
| C4 | C6 | H7 | 107.7° | 109.5° |
| C4 | C6 | H8 | 107.7° | 109.5° |
| C4 | N1 | C26 | 128.9° | 120.0° |
| C4 | N1 | H5 | 115.5° | 120.0° |
| N1 | C4 | H6 | 107.4° | 109.5° |
| C22 | C23 | C24 | 112.9° | 109.5° |
| C23 | C22 | H26 | 107.8° | 109.5° |
| C23 | C22 | H27 | 107.8° | 109.5° |
| C22 | C23 | H28 | 108.6° | 109.5° |
| C22 | C23 | H29 | 108.6° | 109.5° |
| N1 | C26 | O4 | 121.1° | 120.0° |
| C26 | N1 | H5 | 115.5° | 120.0° |
| C23 | C24 | N4 | 104.0° | 109.5° |
| C24 | C23 | H28 | 108.6° | 109.4° |
| C24 | C23 | H29 | 108.6° | 109.5° |
| C23 | C24 | H30 | 110.8° | 109.5° |
| C23 | C24 | H31 | 110.8° | 109.4° |
| C24 | N4 | C25 | 120.5° | 120.0° |
| N4 | C24 | H30 | 110.8° | 109.5° |
| N4 | C24 | H31 | 110.8° | 109.5° |
| C24 | N4 | H32 | 119.8° | 120.0° |
| N4 | C25 | N6 | 122.7° | 120.0° |
| N4 | C25 | N5 | 116.1° | 120.0° |
| C25 | N4 | H32 | 119.7° | 120.0° |
| N6 | C25 | N5 | 121.2° | 120.0° |
| C25 | N6 | H35 | 120.0° | 120.0° |
| C25 | N6 | H39 | 120.0° | 120.0° |
| C25 | N5 | H33 | 120.0° | 120.1° |
| C25 | N5 | H34 | 120.0° | 120.0° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | CL1 | 105.0° | 109.4° |
| H2 | C1 | CL1 | 105.0° | 109.5° |
| H7 | C6 | H8 | 109.5° | 109.4° |
| H16 | C14 | H17 | 109.5° | 109.5° |
| H26 | C22 | H27 | 109.5° | 109.5° |
| H28 | C23 | H29 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.5° |
| H33 | N5 | H34 | 120.0° | 120.0° |
| H35 | N6 | H39 | 120.0° | 120.0° |
| H36 | C27 | H37 | 109.5° | 109.4° |
| H36 | C27 | H38 | 109.4° | 109.5° |
| H37 | C27 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C18 | C20 | H20 | 180.0° | 180.0° |
| C18 | C16 | C15 | H18 | 180.0° | 180.0° |
| C16 | C18 | C20 | C19 | 0.2° | 0.2° |
| C18 | C16 | C15 | C14 | 175.4° | 179.9° |
| C18 | C16 | C15 | C17 | 2.5° | 0.3° |
| C16 | C18 | C20 | H22 | 179.8° | 180.0° |
| C20 | C18 | C16 | C15 | 1.2° | 0.1° |
| C18 | C20 | C19 | H22 | 180.0° | 179.8° |
| C18 | C20 | C19 | C17 | 0.6° | 0.3° |
| C20 | C18 | C16 | H18 | 178.8° | 180.0° |
| C18 | C20 | C19 | H21 | 179.4° | 179.7° |
| C16 | C15 | C14 | C17 | 173.0° | 179.8° |
| C16 | C15 | C14 | C13 | 140.1° | 89.7° |
| C16 | C15 | C17 | C19 | 3.0° | 0.2° |
| C16 | C15 | C14 | H16 | 98.3° | 150.3° |
| C16 | C15 | C14 | H17 | 18.5° | 30.2° |
| C16 | C15 | C17 | H19 | 177.0° | 179.7° |
| C15 | C16 | C18 | H20 | 178.7° | 180.0° |
| C20 | C19 | C17 | C15 | 2.0° | 0.1° |
| C20 | C19 | C17 | H21 | 180.0° | 180.0° |
| C20 | C19 | C17 | H19 | 178.1° | 180.0° |
| C19 | C20 | C18 | H20 | 179.8° | 179.8° |
| C1 | C2 | O3 | C21 | 125.7° | 120.0° |
| C1 | C2 | O3 | H4 | 115.1° | 120.0° |
| C1 | C2 | C21 | H4 | 119.3° | 120.0° |
| C1 | C2 | C21 | N3 | 34.4° | 60.0° |
| C1 | C2 | C21 | C22 | 156.2° | 180.0° |
| C2 | C1 | H1 | H2 | 112.3° | 120.0° |
| C2 | C1 | H1 | CL1 | 135.4° | 120.0° |
| C2 | C1 | H2 | CL1 | 135.4° | 120.0° |
| C1 | C2 | C21 | H24 | 85.5° | 60.0° |
| C1 | C2 | O3 | H25 | 180.0° | 60.0° |
| C15 | C14 | C13 | H16 | 121.6° | 120.0° |
| C15 | C14 | C13 | H17 | 121.6° | 120.0° |
| C14 | C15 | C17 | C19 | 176.3° | 180.0° |
| C15 | C14 | C13 | C3 | 145.7° | 175.0° |
| C15 | C14 | C13 | N2 | 90.2° | 65.0° |
| C15 | C14 | C13 | H15 | 29.1° | 55.0° |
| C15 | C14 | H16 | H17 | 114.9° | 120.1° |
| C14 | C15 | C16 | H18 | 4.6° | 0.1° |
| C14 | C15 | C17 | H19 | 3.8° | 0.1° |
| C17 | C15 | C14 | C13 | 46.9° | 90.1° |
| C15 | C17 | C19 | H19 | 180.0° | 179.9° |
| C17 | C15 | C14 | H16 | 74.7° | 29.9° |
| C17 | C15 | C14 | H17 | 168.5° | 150.0° |
| C17 | C15 | C16 | H18 | 177.5° | 179.8° |
| C15 | C17 | C19 | H21 | 178.0° | 179.9° |
| C14 | C13 | C3 | O2 | 88.0° | 119.9° |
| C14 | C13 | C3 | N2 | 118.8° | 120.0° |
| C14 | C13 | C3 | H15 | 116.8° | 120.1° |
| C14 | C13 | N2 | H15 | 118.5° | 120.0° |
| C14 | C13 | C3 | N3 | 91.9° | 60.1° |
| C14 | C13 | N2 | C5 | 167.8° | 85.0° |
| C14 | C13 | N2 | H14 | 12.3° | 95.0° |
| C13 | C14 | H16 | H17 | 114.9° | 120.0° |
| C11 | C12 | C10 | H13 | 180.0° | 179.7° |
| C12 | C11 | C9 | H12 | 180.0° | 179.9° |
| C11 | C12 | C10 | C8 | 1.0° | 0.3° |
| C12 | C11 | C9 | C7 | 3.2° | 0.0° |
| C12 | C11 | C9 | H10 | 176.8° | 180.0° |
| C11 | C12 | C10 | H11 | 179.0° | 179.7° |
| C10 | C12 | C11 | C9 | 2.5° | 0.3° |
| C12 | C10 | C8 | H11 | 180.0° | 180.0° |
| C12 | C10 | C8 | C7 | 0.2° | 0.0° |
| C12 | C10 | C8 | H9 | 179.8° | 180.0° |
| C10 | C12 | C11 | H12 | 177.6° | 179.6° |
| C11 | C9 | C7 | H10 | 180.0° | 180.0° |
| C11 | C9 | C7 | C8 | 2.3° | 0.3° |
| C11 | C9 | C7 | C6 | 179.5° | 180.0° |
| C9 | C11 | C12 | H13 | 177.5° | 180.0° |
| C17 | C19 | C20 | H22 | 179.4° | 179.9° |
| O3 | C2 | C21 | H4 | 119.8° | 120.0° |
| O3 | C2 | C21 | N3 | 155.4° | 180.0° |
| O3 | C2 | C21 | C22 | 82.9° | 60.0° |
| O3 | C2 | C1 | H1 | 85.3° | 175.0° |
| O3 | C2 | C1 | H2 | 30.1° | 55.0° |
| O3 | C2 | C21 | H24 | 35.4° | 60.0° |
| O3 | C2 | C1 | CL1 | 152.4° | 65.0° |
| C2 | C21 | N3 | C3 | 111.5° | 85.0° |
| C2 | C21 | N3 | C22 | 125.9° | 119.9° |
| C2 | C21 | N3 | H24 | 119.6° | 120.0° |
| C2 | C21 | C22 | H24 | 118.4° | 120.0° |
| C2 | C21 | C22 | C23 | 175.0° | 175.0° |
| C21 | C2 | C1 | H1 | 38.8° | 55.0° |
| C21 | C2 | C1 | H2 | 154.1° | 65.0° |
| C2 | C21 | N3 | H23 | 68.5° | 94.9° |
| C21 | C2 | O3 | H25 | 54.3° | 60.0° |
| C2 | C21 | C22 | H26 | 64.0° | 65.0° |
| C2 | C21 | C22 | H27 | 54.1° | 55.0° |
| C21 | C2 | C1 | CL1 | 83.5° | 175.0° |
| C10 | C8 | C7 | C9 | 0.9° | 0.3° |
| C10 | C8 | C7 | H9 | 180.0° | 180.0° |
| C10 | C8 | C7 | C6 | 178.1° | 179.9° |
| C8 | C10 | C12 | H13 | 179.0° | 180.0° |
| O2 | C3 | C13 | N3 | 179.9° | 180.0° |
| O2 | C3 | C13 | N2 | 30.8° | 0.0° |
| O2 | C3 | N3 | C21 | 2.9° | 0.0° |
| O2 | C3 | C13 | H15 | 155.2° | 120.0° |
| O2 | C3 | N3 | H23 | 177.1° | 179.9° |
| C3 | C13 | N2 | H15 | 123.7° | 120.0° |
| C3 | C13 | N2 | C5 | 74.4° | 155.0° |
| C13 | C3 | N3 | C21 | 177.0° | 180.0° |
| C3 | C13 | N2 | H14 | 105.5° | 25.0° |
| C3 | C13 | C14 | H16 | 24.1° | 64.9° |
| C3 | C13 | C14 | H17 | 92.7° | 55.0° |
| C13 | C3 | N3 | H23 | 3.0° | 0.1° |
| N2 | C13 | C3 | N3 | 149.3° | 180.0° |
| C13 | N2 | C5 | H14 | 180.0° | 180.0° |
| C13 | N2 | C5 | C4 | 177.3° | 180.0° |
| C13 | N2 | C5 | O1 | 4.9° | 0.0° |
| N2 | C13 | C14 | H16 | 148.2° | 55.0° |
| N2 | C13 | C14 | H17 | 31.4° | 175.0° |
| C3 | N3 | C21 | H23 | 180.0° | 179.9° |
| C3 | N3 | C21 | C22 | 122.6° | 155.1° |
| N3 | C3 | C13 | H15 | 24.9° | 60.0° |
| C3 | N3 | C21 | H24 | 8.1° | 35.0° |
| C9 | C7 | C8 | C6 | 177.3° | 179.8° |
| C9 | C7 | C6 | C4 | 87.7° | 90.2° |
| C9 | C7 | C6 | H7 | 33.3° | 149.7° |
| C9 | C7 | C6 | H8 | 151.3° | 29.8° |
| C9 | C7 | C8 | H9 | 179.1° | 179.7° |
| C7 | C9 | C11 | H12 | 176.8° | 179.9° |
| N2 | C5 | C4 | O1 | 177.6° | 180.0° |
| N2 | C5 | C4 | C6 | 91.7° | 80.0° |
| N2 | C5 | C4 | N1 | 141.7° | 160.0° |
| N2 | C5 | C4 | H6 | 23.4° | 40.0° |
| C5 | N2 | C13 | H15 | 49.2° | 35.0° |
| N3 | C21 | C22 | H24 | 115.1° | 120.0° |
| N3 | C21 | C22 | C23 | 58.5° | 65.0° |
| N3 | C21 | C2 | H4 | 84.9° | 60.0° |
| N3 | C21 | C22 | H26 | 62.5° | 55.0° |
| N3 | C21 | C22 | H27 | 179.5° | 175.0° |
| C21 | C22 | C23 | H26 | 121.0° | 120.0° |
| C21 | C22 | C23 | H27 | 120.9° | 120.0° |
| C21 | C22 | C23 | C24 | 165.5° | 180.0° |
| C22 | C21 | C2 | H4 | 36.9° | 60.0° |
| C22 | C21 | N3 | H23 | 57.4° | 25.0° |
| C21 | C22 | H26 | H27 | 117.0° | 120.0° |
| C21 | C22 | C23 | H28 | 74.0° | 60.0° |
| C21 | C22 | C23 | H29 | 45.0° | 60.0° |
| C8 | C7 | C6 | C4 | 89.4° | 90.0° |
| C8 | C7 | C6 | H7 | 149.6° | 30.1° |
| C8 | C7 | C6 | H8 | 31.6° | 150.0° |
| C8 | C7 | C9 | H10 | 177.7° | 179.7° |
| C7 | C8 | C10 | H11 | 179.8° | 180.0° |
| C7 | C6 | C4 | C5 | 73.7° | 175.1° |
| C7 | C6 | C4 | H7 | 121.0° | 120.1° |
| C7 | C6 | C4 | H8 | 121.0° | 119.9° |
| C7 | C6 | C4 | N1 | 158.2° | 65.0° |
| C7 | C6 | C4 | H6 | 41.3° | 55.0° |
| C7 | C6 | H7 | H8 | 116.8° | 119.9° |
| C6 | C7 | C8 | H9 | 1.9° | 0.1° |
| C6 | C7 | C9 | H10 | 0.5° | 0.0° |
| C27 | C26 | N1 | C4 | 1.8° | 180.0° |
| C27 | C26 | N1 | O4 | 177.9° | 180.0° |
| C27 | C26 | N1 | H5 | 178.2° | 0.0° |
| C26 | C27 | H36 | H37 | 120.0° | 120.0° |
| C26 | C27 | H36 | H38 | 120.0° | 120.0° |
| C26 | C27 | H37 | H38 | 120.0° | 120.0° |
| C5 | C4 | C6 | N1 | 128.1° | 120.0° |
| C5 | C4 | C6 | H6 | 115.0° | 120.0° |
| C5 | C4 | N1 | H6 | 117.7° | 120.0° |
| C5 | C4 | N1 | C26 | 110.3° | 60.0° |
| C5 | C4 | N1 | H5 | 69.8° | 120.0° |
| C5 | C4 | C6 | H7 | 165.3° | 55.0° |
| C5 | C4 | C6 | H8 | 47.3° | 65.0° |
| C4 | C5 | N2 | H14 | 2.7° | 0.0° |
| O1 | C5 | C4 | C6 | 90.7° | 100.0° |
| O1 | C5 | C4 | N1 | 35.9° | 20.0° |
| O1 | C5 | C4 | H6 | 154.2° | 140.0° |
| O1 | C5 | N2 | H14 | 175.0° | 180.0° |
| C6 | C4 | N1 | H6 | 116.4° | 120.0° |
| C6 | C4 | N1 | C26 | 123.9° | 60.0° |
| C6 | C4 | N1 | H5 | 56.1° | 120.0° |
| C4 | C6 | H7 | H8 | 116.8° | 120.0° |
| C4 | N1 | C26 | H5 | 180.0° | 180.0° |
| C4 | N1 | C26 | O4 | 176.0° | 0.1° |
| N1 | C4 | C6 | H7 | 37.2° | 174.9° |
| N1 | C4 | C6 | H8 | 80.8° | 55.0° |
| C22 | C23 | C24 | H28 | 120.5° | 120.0° |
| C22 | C23 | C24 | H29 | 120.5° | 120.0° |
| C22 | C23 | C24 | N4 | 174.3° | 180.0° |
| C23 | C22 | C21 | H24 | 56.6° | 55.0° |
| C23 | C22 | H26 | H27 | 117.0° | 120.0° |
| C22 | C23 | H28 | H29 | 118.4° | 120.0° |
| C22 | C23 | C24 | H30 | 66.5° | 60.0° |
| C22 | C23 | C24 | H31 | 55.2° | 60.0° |
| C26 | N1 | C4 | H6 | 7.5° | 180.0° |
| N1 | C26 | C27 | H36 | 178.0° | 90.0° |
| N1 | C26 | C27 | H37 | 61.9° | 150.0° |
| N1 | C26 | C27 | H38 | 58.1° | 30.0° |
| O4 | C26 | N1 | H5 | 3.9° | 180.0° |
| O4 | C26 | C27 | H36 | 0.0° | 90.0° |
| O4 | C26 | C27 | H37 | 120.0° | 29.9° |
| O4 | C26 | C27 | H38 | 120.0° | 150.0° |
| C23 | C24 | N4 | H30 | 119.1° | 120.0° |
| C23 | C24 | N4 | H31 | 119.1° | 120.0° |
| C23 | C24 | N4 | C25 | 173.4° | 180.0° |
| C24 | C23 | C22 | H26 | 44.5° | 60.0° |
| C24 | C23 | C22 | H27 | 73.6° | 60.0° |
| C24 | C23 | H28 | H29 | 118.4° | 120.0° |
| C23 | C24 | H30 | H31 | 122.5° | 120.0° |
| C23 | C24 | N4 | H32 | 6.5° | 0.1° |
| C24 | N4 | C25 | H32 | 180.0° | 179.9° |
| C24 | N4 | C25 | N6 | 0.6° | 0.1° |
| C24 | N4 | C25 | N5 | 179.4° | 180.0° |
| N4 | C24 | C23 | H28 | 53.8° | 60.0° |
| N4 | C24 | C23 | H29 | 65.1° | 60.0° |
| N4 | C24 | H30 | H31 | 122.5° | 120.0° |
| N4 | C25 | N6 | N5 | 178.8° | 179.9° |
| C25 | N4 | C24 | H30 | 67.4° | 60.1° |
| C25 | N4 | C24 | H31 | 54.3° | 60.0° |
| N4 | C25 | N5 | H33 | 178.9° | 0.0° |
| N4 | C25 | N5 | H34 | 1.1° | 180.0° |
| N4 | C25 | N6 | H35 | 178.8° | 0.1° |
| N4 | C25 | N6 | H39 | 1.2° | 179.9° |
| N6 | C25 | N4 | H32 | 179.4° | 180.0° |
| N6 | C25 | N5 | H33 | 0.0° | 179.9° |
| N6 | C25 | N5 | H34 | 180.0° | 0.1° |
| C25 | N6 | H35 | H39 | 179.9° | 180.0° |
| N5 | C25 | N4 | H32 | 0.5° | 0.1° |
| C25 | N5 | H33 | H34 | 179.9° | 180.0° |
| N5 | C25 | N6 | H35 | 0.0° | 180.0° |
| N5 | C25 | N6 | H39 | 180.0° | 0.0° |
| H1 | C1 | H2 | CL1 | 112.3° | 120.0° |
| H1 | C1 | C2 | H4 | 158.5° | 65.0° |
| H2 | C1 | C2 | H4 | 86.1° | 175.0° |
| H4 | C2 | C21 | H24 | 155.2° | 180.0° |
| H4 | C2 | O3 | H25 | 64.9° | 180.0° |
| H4 | C2 | C1 | CL1 | 36.2° | 55.0° |
| H5 | N1 | C4 | H6 | 172.5° | 0.0° |
| H6 | C4 | C6 | H7 | 79.7° | 65.0° |
| H6 | C4 | C6 | H8 | 162.3° | 175.0° |
| H9 | C8 | C10 | H11 | 0.2° | 0.0° |
| H10 | C9 | C11 | H12 | 3.2° | 0.1° |
| H11 | C10 | C12 | H13 | 1.0° | 0.0° |
| H12 | C11 | C12 | H13 | 2.4° | 0.0° |
| H14 | N2 | C13 | H15 | 130.8° | 145.0° |
| H15 | C13 | C14 | H16 | 92.4° | 175.0° |
| H15 | C13 | C14 | H17 | 150.7° | 65.0° |
| H18 | C16 | C18 | H20 | 1.2° | 0.0° |
| H19 | C17 | C19 | H21 | 2.0° | 0.0° |
| H20 | C18 | C20 | H22 | 0.2° | 0.1° |
| H21 | C19 | C20 | H22 | 0.6° | 0.1° |
| H23 | N3 | C21 | H24 | 171.9° | 145.0° |
| H24 | C21 | C22 | H26 | 177.6° | 175.0° |
| H24 | C21 | C22 | H27 | 64.4° | 65.0° |
| H26 | C22 | C23 | H28 | 165.0° | 180.0° |
| H26 | C22 | C23 | H29 | 76.0° | 60.0° |
| H27 | C22 | C23 | H28 | 47.0° | 60.0° |
| H27 | C22 | C23 | H29 | 165.9° | 180.0° |
| H28 | C23 | C24 | H30 | 173.0° | 180.0° |
| H28 | C23 | C24 | H31 | 65.3° | 60.0° |
| H29 | C23 | C24 | H30 | 54.0° | 60.0° |
| H29 | C23 | C24 | H31 | 175.7° | 180.0° |
| H30 | C24 | N4 | H32 | 112.6° | 120.0° |
| H31 | C24 | N4 | H32 | 125.7° | 119.9° |
| H36 | C27 | H37 | H38 | 120.0° | 120.0° |
