L9S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C25 | doub | 1.32Å | 1.34Å | Aromatic |
| N7 | C26 | sing | 1.33Å | 1.32Å | Aromatic |
| N8 | C26 | sing | 1.37Å | 1.37Å | Aromatic |
| N8 | C29 | sing | 1.37Å | 1.38Å | Aromatic |
| C25 | N6 | sing | 1.32Å | 1.31Å | Aromatic |
| C26 | C27 | doub | 1.41Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.34Å | 1.40Å | Aromatic |
| N6 | C24 | doub | 1.33Å | 1.37Å | Aromatic |
| C27 | C28 | sing | 1.46Å | 1.44Å | Aromatic |
| C27 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | N5 | sing | 1.38Å | 1.38Å | |
| N5 | C23 | sing | 1.47Å | 1.44Å | |
| N5 | C4 | sing | 1.47Å | 1.47Å | |
| F1 | C13 | sing | 1.35Å | 1.32Å | |
| C23 | C5 | sing | 1.53Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.52Å | |
| C6 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | N2 | sing | 1.40Å | 1.42Å | |
| O2 | C11 | doub | 1.22Å | 1.23Å | |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| N2 | C11 | sing | 1.35Å | 1.38Å | |
| C11 | N3 | sing | 1.35Å | 1.38Å | |
| N1 | C3 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.47Å | 1.44Å | |
| N3 | C12 | sing | 1.40Å | 1.43Å | |
| C12 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.41Å | |
| C17 | C16 | sing | 1.39Å | 1.37Å | Aromatic |
| C17 | N4 | sing | 1.40Å | 1.44Å | |
| N4 | C21 | sing | 1.48Å | 1.43Å | |
| N4 | C18 | sing | 1.49Å | 1.47Å | |
| C21 | C20 | sing | 1.54Å | 1.52Å | |
| C18 | C19 | sing | 1.55Å | 1.50Å | |
| C20 | C19 | sing | 1.55Å | 1.55Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.08Å | 1.08Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C28 | H32 | sing | 1.08Å | 1.08Å | |
| C29 | H33 | sing | 1.08Å | 1.08Å | |
| N8 | H34 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | N7 | C26 | 111.7° | 120.8° |
| N7 | C25 | N6 | 129.0° | 122.7° |
| N7 | C25 | H31 | 115.5° | 118.6° |
| N7 | C26 | N8 | 124.2° | 134.3° |
| N7 | C26 | C27 | 126.9° | 118.5° |
| C26 | N8 | C29 | 110.5° | 110.0° |
| N8 | C26 | C27 | 108.8° | 107.1° |
| C26 | N8 | H34 | 124.7° | 125.0° |
| N8 | C29 | C28 | 106.6° | 109.8° |
| N8 | C29 | H33 | 126.7° | 125.1° |
| C29 | N8 | H34 | 124.8° | 125.0° |
| C25 | N6 | C24 | 117.1° | 121.1° |
| N6 | C25 | H31 | 115.5° | 118.7° |
| C26 | C27 | C28 | 106.3° | 106.2° |
| C26 | C27 | C24 | 115.4° | 118.6° |
| C29 | C28 | C27 | 107.7° | 106.9° |
| C29 | C28 | H32 | 126.1° | 126.5° |
| C28 | C29 | H33 | 126.7° | 125.1° |
| N6 | C24 | C27 | 119.6° | 118.3° |
| N6 | C24 | N5 | 116.8° | 120.8° |
| C28 | C27 | C24 | 138.2° | 135.2° |
| C27 | C28 | H32 | 126.1° | 126.6° |
| C27 | C24 | N5 | 123.6° | 120.8° |
| C24 | N5 | C23 | 123.9° | 111.0° |
| C24 | N5 | C4 | 117.2° | 111.0° |
| C23 | N5 | C4 | 117.6° | 110.9° |
| N5 | C23 | C5 | 108.3° | 109.3° |
| N5 | C23 | H29 | 109.7° | 109.5° |
| N5 | C23 | H30 | 109.8° | 109.5° |
| N5 | C4 | C3 | 104.3° | 109.3° |
| N5 | C4 | H14 | 110.7° | 109.5° |
| N5 | C4 | H15 | 110.7° | 109.5° |
| F1 | C13 | C14 | 114.2° | 120.0° |
| F1 | C13 | C12 | 119.9° | 120.0° |
| C23 | C5 | C6 | 98.6° | 109.5° |
| C23 | C5 | N1 | 108.4° | 109.4° |
| C23 | C5 | H3 | 113.4° | 109.5° |
| C5 | C23 | H29 | 109.8° | 109.5° |
| C5 | C23 | H30 | 109.7° | 109.5° |
| C4 | C3 | N1 | 109.2° | 109.4° |
| C4 | C3 | H1 | 109.6° | 109.5° |
| C4 | C3 | H2 | 109.6° | 109.4° |
| C3 | C4 | H14 | 110.7° | 109.5° |
| C3 | C4 | H15 | 110.7° | 109.5° |
| C7 | C8 | C9 | 121.0° | 120.0° |
| C8 | C7 | C6 | 121.4° | 120.1° |
| C8 | C7 | H4 | 119.3° | 119.9° |
| C7 | C8 | H7 | 119.5° | 119.9° |
| C8 | C9 | C10 | 118.5° | 120.0° |
| C9 | C8 | H7 | 119.5° | 120.0° |
| C8 | C9 | H16 | 120.8° | 120.0° |
| C7 | C6 | C5 | 124.3° | 119.9° |
| C7 | C6 | C22 | 116.5° | 120.1° |
| C6 | C7 | H4 | 119.3° | 119.9° |
| C9 | C10 | C22 | 120.0° | 119.8° |
| C9 | C10 | N2 | 122.9° | 120.1° |
| C10 | C9 | H16 | 120.8° | 120.0° |
| C5 | C6 | C22 | 119.2° | 120.0° |
| C6 | C5 | N1 | 108.7° | 109.5° |
| C6 | C5 | H3 | 112.8° | 109.4° |
| C6 | C22 | C10 | 122.5° | 120.0° |
| C6 | C22 | H28 | 118.7° | 120.0° |
| C13 | C14 | C15 | 112.8° | 120.2° |
| C14 | C13 | C12 | 125.9° | 119.9° |
| C13 | C14 | H5 | 123.6° | 119.9° |
| C14 | C15 | C16 | 122.4° | 120.2° |
| C15 | C14 | H5 | 123.6° | 119.9° |
| C14 | C15 | H6 | 118.8° | 119.9° |
| C13 | C12 | N3 | 118.6° | 120.0° |
| C13 | C12 | C17 | 120.0° | 119.8° |
| C22 | C10 | N2 | 117.0° | 120.1° |
| C10 | C22 | H28 | 118.7° | 120.0° |
| C10 | N2 | C11 | 125.6° | 120.0° |
| C10 | N2 | H17 | 117.2° | 120.0° |
| O2 | C11 | N2 | 125.1° | 120.0° |
| O2 | C11 | N3 | 122.6° | 120.0° |
| C5 | N1 | C3 | 108.6° | 110.9° |
| C5 | N1 | C2 | 111.1° | 111.0° |
| N1 | C5 | H3 | 113.9° | 109.5° |
| N2 | C11 | N3 | 112.1° | 120.0° |
| C11 | N2 | H17 | 117.2° | 120.0° |
| C11 | N3 | C12 | 120.6° | 120.0° |
| C11 | N3 | H18 | 119.7° | 120.0° |
| C3 | N1 | C2 | 110.1° | 111.0° |
| N1 | C3 | H1 | 109.5° | 109.5° |
| N1 | C3 | H2 | 109.6° | 109.5° |
| N1 | C2 | C1 | 111.4° | 109.4° |
| N1 | C2 | H11 | 109.0° | 109.5° |
| N1 | C2 | H12 | 109.0° | 109.4° |
| N3 | C12 | C17 | 121.0° | 120.1° |
| C12 | N3 | H18 | 119.7° | 120.0° |
| C12 | C17 | C16 | 115.3° | 119.8° |
| C12 | C17 | N4 | 124.6° | 120.1° |
| C15 | C16 | C17 | 123.4° | 120.0° |
| C16 | C15 | H6 | 118.8° | 119.9° |
| C15 | C16 | H19 | 118.3° | 120.0° |
| C2 | C1 | O1 | 109.1° | 109.5° |
| C2 | C1 | H9 | 109.6° | 109.5° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C1 | C2 | H11 | 109.0° | 109.4° |
| C1 | C2 | H12 | 109.0° | 109.5° |
| C1 | O1 | H8 | 109.5° | 114.0° |
| O1 | C1 | H9 | 109.6° | 109.5° |
| O1 | C1 | H10 | 109.6° | 109.4° |
| C16 | C17 | N4 | 120.1° | 120.1° |
| C17 | C16 | H19 | 118.3° | 120.0° |
| C17 | N4 | C21 | 113.5° | 111.0° |
| C17 | N4 | C18 | 113.9° | 111.0° |
| C21 | N4 | C18 | 107.8° | 105.8° |
| N4 | C21 | C20 | 101.7° | 107.1° |
| N4 | C21 | H26 | 111.4° | 109.9° |
| N4 | C21 | H27 | 111.4° | 109.9° |
| N4 | C18 | C19 | 104.5° | 103.2° |
| N4 | C18 | H20 | 110.7° | 110.7° |
| N4 | C18 | H21 | 110.7° | 110.7° |
| C21 | C20 | C19 | 109.6° | 105.1° |
| C21 | C20 | H24 | 109.4° | 110.3° |
| C21 | C20 | H25 | 109.5° | 110.4° |
| C20 | C21 | H26 | 111.4° | 109.9° |
| C20 | C21 | H27 | 111.4° | 109.9° |
| C18 | C19 | C20 | 100.1° | 102.9° |
| C19 | C18 | H20 | 110.7° | 110.6° |
| C19 | C18 | H21 | 110.7° | 110.7° |
| C18 | C19 | H22 | 111.7° | 110.7° |
| C18 | C19 | H23 | 111.8° | 110.8° |
| C20 | C19 | H22 | 111.7° | 110.7° |
| C20 | C19 | H23 | 111.8° | 110.8° |
| C19 | C20 | H24 | 109.4° | 110.3° |
| C19 | C20 | H25 | 109.4° | 110.3° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H9 | C1 | H10 | 109.5° | 109.5° |
| H11 | C2 | H12 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 110.7° |
| H22 | C19 | H23 | 109.5° | 110.6° |
| H24 | C20 | H25 | 109.5° | 110.3° |
| H26 | C21 | H27 | 109.5° | 110.1° |
| H29 | C23 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | N7 | C26 | N8 | 178.2° | 180.0° |
| N7 | C25 | N6 | H31 | 180.0° | 180.0° |
| C25 | N7 | C26 | C27 | 5.3° | 0.3° |
| N7 | C25 | N6 | C24 | 4.1° | 0.0° |
| N7 | C26 | N8 | C27 | 177.1° | 179.8° |
| N7 | C26 | N8 | C29 | 176.4° | 179.9° |
| C26 | N7 | C25 | N6 | 5.5° | 0.0° |
| N7 | C26 | C27 | C28 | 178.7° | 180.0° |
| N7 | C26 | C27 | C24 | 4.0° | 0.5° |
| C26 | N7 | C25 | H31 | 174.5° | 180.0° |
| N7 | C26 | N8 | H34 | 3.5° | 0.0° |
| C26 | N8 | C29 | H34 | 180.0° | 179.9° |
| C26 | N8 | C29 | C28 | 2.8° | 0.3° |
| N8 | C26 | C27 | C28 | 1.8° | 0.2° |
| N8 | C26 | C27 | C24 | 179.1° | 179.7° |
| C26 | N8 | C29 | H33 | 177.2° | 179.8° |
| C29 | N8 | C26 | C27 | 0.6° | 0.3° |
| N8 | C29 | C28 | H33 | 180.0° | 179.8° |
| N8 | C29 | C28 | C27 | 3.8° | 0.2° |
| N8 | C29 | C28 | H32 | 176.2° | 179.8° |
| C25 | N6 | C24 | C27 | 1.9° | 0.3° |
| C25 | N6 | C24 | N5 | 179.3° | 180.0° |
| C26 | C27 | C28 | C29 | 3.5° | 0.0° |
| C26 | C27 | C24 | N6 | 1.9° | 0.5° |
| C26 | C27 | C28 | C24 | 176.4° | 179.3° |
| C26 | C27 | C24 | N5 | 179.5° | 179.7° |
| C26 | C27 | C28 | H32 | 176.6° | 180.0° |
| C27 | C26 | N8 | H34 | 179.4° | 179.7° |
| C29 | C28 | C27 | H32 | 180.0° | 180.0° |
| C29 | C28 | C27 | C24 | 179.8° | 179.3° |
| C28 | C29 | N8 | H34 | 177.2° | 179.7° |
| N6 | C24 | C27 | C28 | 178.1° | 179.8° |
| N6 | C24 | C27 | N5 | 178.6° | 179.8° |
| N6 | C24 | N5 | C23 | 159.0° | 0.1° |
| N6 | C24 | N5 | C4 | 7.7° | 123.8° |
| C24 | N6 | C25 | H31 | 175.9° | 180.0° |
| C28 | C27 | C24 | N5 | 3.3° | 0.4° |
| C27 | C28 | C29 | H33 | 176.2° | 180.0° |
| C27 | C24 | N5 | C23 | 19.7° | 179.7° |
| C27 | C24 | N5 | C4 | 173.6° | 56.4° |
| C24 | C27 | C28 | H32 | 0.2° | 0.7° |
| C24 | N5 | C23 | C4 | 166.6° | 123.9° |
| C24 | N5 | C23 | C5 | 137.8° | 176.8° |
| C24 | N5 | C4 | C3 | 137.1° | 176.8° |
| C24 | N5 | C4 | H14 | 103.7° | 56.9° |
| C24 | N5 | C4 | H15 | 18.0° | 63.3° |
| C24 | N5 | C23 | H29 | 18.0° | 63.3° |
| C24 | N5 | C23 | H30 | 102.4° | 56.8° |
| N5 | C23 | C5 | H29 | 119.8° | 119.9° |
| N5 | C23 | C5 | H30 | 119.8° | 120.0° |
| C23 | N5 | C4 | C3 | 55.3° | 59.3° |
| N5 | C23 | C5 | C6 | 169.8° | 178.4° |
| N5 | C23 | C5 | N1 | 56.8° | 58.3° |
| N5 | C23 | C5 | H3 | 70.7° | 61.6° |
| C23 | N5 | C4 | H14 | 63.8° | 179.2° |
| C23 | N5 | C4 | H15 | 174.5° | 60.6° |
| N5 | C23 | H29 | H30 | 120.5° | 120.1° |
| C4 | N5 | C23 | C5 | 55.6° | 59.3° |
| N5 | C4 | C3 | H14 | 119.2° | 119.9° |
| N5 | C4 | C3 | H15 | 119.2° | 120.0° |
| N5 | C4 | C3 | N1 | 58.5° | 58.4° |
| N5 | C4 | C3 | H1 | 178.4° | 61.6° |
| N5 | C4 | C3 | H2 | 61.5° | 178.4° |
| N5 | C4 | H14 | H15 | 122.4° | 120.1° |
| C4 | N5 | C23 | H29 | 175.4° | 60.6° |
| C4 | N5 | C23 | H30 | 64.2° | 179.3° |
| F1 | C13 | C14 | C12 | 177.0° | 180.0° |
| F1 | C13 | C14 | C15 | 178.9° | 179.9° |
| F1 | C13 | C12 | N3 | 4.9° | 0.0° |
| F1 | C13 | C12 | C17 | 178.0° | 179.9° |
| F1 | C13 | C14 | H5 | 1.1° | 0.3° |
| C23 | C5 | C6 | C7 | 82.3° | 80.0° |
| C23 | C5 | C6 | N1 | 112.8° | 120.0° |
| C23 | C5 | C6 | H3 | 119.9° | 120.0° |
| C23 | C5 | C6 | C22 | 96.7° | 100.1° |
| C23 | C5 | N1 | H3 | 127.2° | 120.0° |
| C23 | C5 | N1 | C3 | 65.3° | 59.3° |
| C23 | C5 | N1 | C2 | 173.5° | 176.8° |
| C5 | C23 | H29 | H30 | 120.5° | 120.1° |
| C4 | C3 | N1 | C5 | 67.7° | 59.3° |
| C4 | C3 | N1 | H1 | 119.9° | 120.0° |
| C4 | C3 | N1 | H2 | 120.0° | 119.9° |
| C4 | C3 | N1 | C2 | 170.4° | 176.8° |
| C4 | C3 | H1 | H2 | 120.2° | 120.0° |
| C3 | C4 | H14 | H15 | 122.4° | 120.1° |
| C7 | C8 | C9 | H7 | 180.0° | 180.0° |
| C8 | C7 | C6 | H4 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C8 | C7 | C6 | C5 | 179.8° | 179.7° |
| C8 | C7 | C6 | C22 | 0.8° | 0.2° |
| C7 | C8 | C9 | H16 | 178.2° | 180.0° |
| C9 | C8 | C7 | C6 | 1.2° | 0.0° |
| C8 | C9 | C10 | H16 | 180.0° | 180.0° |
| C8 | C9 | C10 | C22 | 2.1° | 0.2° |
| C8 | C9 | C10 | N2 | 179.6° | 179.8° |
| C9 | C8 | C7 | H4 | 178.8° | 179.7° |
| C7 | C6 | C5 | C22 | 179.0° | 180.0° |
| C7 | C6 | C22 | C10 | 1.1° | 0.5° |
| C7 | C6 | C5 | N1 | 30.5° | 40.0° |
| C7 | C6 | C5 | H3 | 157.8° | 160.0° |
| C6 | C7 | C8 | H7 | 178.8° | 180.0° |
| C7 | C6 | C22 | H28 | 178.9° | 180.0° |
| C9 | C10 | C22 | C6 | 1.8° | 0.5° |
| C9 | C10 | C22 | N2 | 177.7° | 179.5° |
| C9 | C10 | N2 | C11 | 15.0° | 35.3° |
| C10 | C9 | C8 | H7 | 178.2° | 180.0° |
| C9 | C10 | N2 | H17 | 165.0° | 144.8° |
| C9 | C10 | C22 | H28 | 178.2° | 180.0° |
| C5 | C6 | C22 | C10 | 179.8° | 179.5° |
| C6 | C5 | N1 | H3 | 126.7° | 120.0° |
| C6 | C5 | N1 | C3 | 171.4° | 179.3° |
| C6 | C5 | N1 | C2 | 67.3° | 56.8° |
| C5 | C6 | C7 | H4 | 0.2° | 0.0° |
| C5 | C6 | C22 | H28 | 0.2° | 0.0° |
| C6 | C5 | C23 | H29 | 70.4° | 58.5° |
| C6 | C5 | C23 | H30 | 50.0° | 61.6° |
| C6 | C22 | C10 | H28 | 180.0° | 179.4° |
| C6 | C22 | C10 | N2 | 179.5° | 180.0° |
| C22 | C6 | C5 | N1 | 150.5° | 139.9° |
| C22 | C6 | C5 | H3 | 23.2° | 19.9° |
| C22 | C6 | C7 | H4 | 179.2° | 180.0° |
| C13 | C14 | C15 | H5 | 180.0° | 179.7° |
| C14 | C13 | C12 | N3 | 178.2° | 180.0° |
| C14 | C13 | C12 | C17 | 5.1° | 0.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.1° |
| C13 | C14 | C15 | H6 | 178.6° | 179.9° |
| C15 | C14 | C13 | C12 | 1.9° | 0.1° |
| C14 | C15 | C16 | H6 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.7° | 0.1° |
| C14 | C15 | C16 | H19 | 178.3° | 180.0° |
| C13 | C12 | N3 | C11 | 65.3° | 34.5° |
| C13 | C12 | N3 | C17 | 173.0° | 180.0° |
| C13 | C12 | C17 | C16 | 4.5° | 0.1° |
| C13 | C12 | C17 | N4 | 174.4° | 180.0° |
| C12 | C13 | C14 | H5 | 178.1° | 179.7° |
| C13 | C12 | N3 | H18 | 114.7° | 145.5° |
| C22 | C10 | N2 | C11 | 167.4° | 145.2° |
| C22 | C10 | C9 | H16 | 177.9° | 179.7° |
| C22 | C10 | N2 | H17 | 12.6° | 34.8° |
| C10 | N2 | C11 | O2 | 10.8° | 3.3° |
| C10 | N2 | C11 | H17 | 180.0° | 180.0° |
| C10 | N2 | C11 | N3 | 173.8° | 176.7° |
| N2 | C10 | C9 | H16 | 0.4° | 0.2° |
| N2 | C10 | C22 | H28 | 0.5° | 0.5° |
| O2 | C11 | N2 | N3 | 175.4° | 180.0° |
| O2 | C11 | N3 | C12 | 3.9° | 3.2° |
| O2 | C11 | N2 | H17 | 169.2° | 176.7° |
| O2 | C11 | N3 | H18 | 176.2° | 176.8° |
| C5 | N1 | C3 | C2 | 121.8° | 123.9° |
| C5 | N1 | C2 | C1 | 129.0° | 162.6° |
| C5 | N1 | C3 | H1 | 172.3° | 60.7° |
| C5 | N1 | C3 | H2 | 52.3° | 179.3° |
| C5 | N1 | C2 | H11 | 110.7° | 42.6° |
| C5 | N1 | C2 | H12 | 8.7° | 77.4° |
| N1 | C5 | C23 | H29 | 176.6° | 61.6° |
| N1 | C5 | C23 | H30 | 63.0° | 178.3° |
| N2 | C11 | N3 | C12 | 179.4° | 176.8° |
| N2 | C11 | N3 | H18 | 0.6° | 3.2° |
| C11 | N3 | C12 | H18 | 180.0° | 180.0° |
| C11 | N3 | C12 | C17 | 121.6° | 145.5° |
| N3 | C11 | N2 | H17 | 6.2° | 3.3° |
| C3 | N1 | C2 | C1 | 110.6° | 73.5° |
| N1 | C3 | H1 | H2 | 120.1° | 120.1° |
| C3 | N1 | C5 | H3 | 61.9° | 60.7° |
| C3 | N1 | C2 | H11 | 9.6° | 166.5° |
| C3 | N1 | C2 | H12 | 129.1° | 46.4° |
| N1 | C3 | C4 | H14 | 60.7° | 178.4° |
| N1 | C3 | C4 | H15 | 177.7° | 61.5° |
| N1 | C2 | C1 | H11 | 120.3° | 120.0° |
| N1 | C2 | C1 | H12 | 120.3° | 119.9° |
| N1 | C2 | C1 | O1 | 86.6° | 67.1° |
| C2 | N1 | C3 | H1 | 50.5° | 63.2° |
| C2 | N1 | C3 | H2 | 69.6° | 56.9° |
| C2 | N1 | C5 | H3 | 59.3° | 63.2° |
| N1 | C2 | C1 | H9 | 153.4° | 52.9° |
| N1 | C2 | C1 | H10 | 33.3° | 172.9° |
| N1 | C2 | H11 | H12 | 119.1° | 120.0° |
| N3 | C12 | C17 | C16 | 177.4° | 180.0° |
| N3 | C12 | C17 | N4 | 1.5° | 0.0° |
| C12 | C17 | C16 | C15 | 1.4° | 0.1° |
| C12 | C17 | C16 | N4 | 179.0° | 180.0° |
| C12 | C17 | N4 | C21 | 47.1° | 120.1° |
| C12 | C17 | N4 | C18 | 171.0° | 122.6° |
| C17 | C12 | N3 | H18 | 58.4° | 34.5° |
| C12 | C17 | C16 | H19 | 178.6° | 180.0° |
| C15 | C16 | C17 | H19 | 180.0° | 179.9° |
| C15 | C16 | C17 | N4 | 177.6° | 180.0° |
| C16 | C15 | C14 | H5 | 178.6° | 179.7° |
| C2 | C1 | O1 | H9 | 119.9° | 120.0° |
| C2 | C1 | O1 | H10 | 119.9° | 120.0° |
| C2 | C1 | O1 | H8 | 180.0° | 180.0° |
| C2 | C1 | H9 | H10 | 120.2° | 120.1° |
| C1 | C2 | H11 | H12 | 119.2° | 120.0° |
| O1 | C1 | H9 | H10 | 120.2° | 120.0° |
| O1 | C1 | C2 | H11 | 33.6° | 172.9° |
| O1 | C1 | C2 | H12 | 153.1° | 52.8° |
| C16 | C17 | N4 | C21 | 134.0° | 60.0° |
| C16 | C17 | N4 | C18 | 10.1° | 57.4° |
| C17 | C16 | C15 | H6 | 178.3° | 179.9° |
| C17 | N4 | C21 | C18 | 127.2° | 120.5° |
| C17 | N4 | C21 | C20 | 159.0° | 145.8° |
| C17 | N4 | C18 | C19 | 169.9° | 159.7° |
| N4 | C17 | C16 | H19 | 2.4° | 0.0° |
| C17 | N4 | C18 | H20 | 70.9° | 81.9° |
| C17 | N4 | C18 | H21 | 50.7° | 41.2° |
| C17 | N4 | C21 | H26 | 40.3° | 26.5° |
| C17 | N4 | C21 | H27 | 82.2° | 94.8° |
| N4 | C21 | C20 | H26 | 118.8° | 119.4° |
| N4 | C21 | C20 | H27 | 118.7° | 119.3° |
| C21 | N4 | C18 | C19 | 43.0° | 39.2° |
| N4 | C21 | C20 | C19 | 10.3° | 1.3° |
| C21 | N4 | C18 | H20 | 162.2° | 157.7° |
| C21 | N4 | C18 | H21 | 76.2° | 79.2° |
| N4 | C21 | C20 | H24 | 130.3° | 117.7° |
| N4 | C21 | C20 | H25 | 109.8° | 120.2° |
| N4 | C21 | H26 | H27 | 123.6° | 121.2° |
| C18 | N4 | C21 | C20 | 31.8° | 25.4° |
| N4 | C18 | C19 | H20 | 119.2° | 118.4° |
| N4 | C18 | C19 | H21 | 119.2° | 118.5° |
| N4 | C18 | C19 | C20 | 32.6° | 37.4° |
| N4 | C18 | H20 | H21 | 122.3° | 123.1° |
| N4 | C18 | C19 | H22 | 85.9° | 80.9° |
| N4 | C18 | C19 | H23 | 151.0° | 156.0° |
| C18 | N4 | C21 | H26 | 86.9° | 94.0° |
| C18 | N4 | C21 | H27 | 150.6° | 144.7° |
| C21 | C20 | C19 | C18 | 14.0° | 22.0° |
| C21 | C20 | C19 | H24 | 120.0° | 118.9° |
| C21 | C20 | C19 | H25 | 120.0° | 119.0° |
| C21 | C20 | C19 | H22 | 104.5° | 96.4° |
| C21 | C20 | C19 | H23 | 132.5° | 140.4° |
| C21 | C20 | H24 | H25 | 119.9° | 122.2° |
| C20 | C21 | H26 | H27 | 123.6° | 121.2° |
| C18 | C19 | C20 | H22 | 118.5° | 118.4° |
| C18 | C19 | C20 | H23 | 118.5° | 118.5° |
| C19 | C18 | H20 | H21 | 122.3° | 123.1° |
| C18 | C19 | H22 | H23 | 124.4° | 123.2° |
| C18 | C19 | C20 | H24 | 106.0° | 140.9° |
| C18 | C19 | C20 | H25 | 134.0° | 97.0° |
| C20 | C19 | C18 | H20 | 151.7° | 155.9° |
| C20 | C19 | C18 | H21 | 86.6° | 81.0° |
| C20 | C19 | H22 | H23 | 124.3° | 123.3° |
| C19 | C20 | H24 | H25 | 119.9° | 122.1° |
| C19 | C20 | C21 | H26 | 108.5° | 118.1° |
| C19 | C20 | C21 | H27 | 129.0° | 120.6° |
| H1 | C3 | C4 | H14 | 59.3° | 58.3° |
| H1 | C3 | C4 | H15 | 62.4° | 178.4° |
| H2 | C3 | C4 | H14 | 179.3° | 61.7° |
| H2 | C3 | C4 | H15 | 57.7° | 58.4° |
| H3 | C5 | C23 | H29 | 49.1° | 178.4° |
| H3 | C5 | C23 | H30 | 169.4° | 58.4° |
| H4 | C7 | C8 | H7 | 1.2° | 0.3° |
| H5 | C14 | C15 | H6 | 1.4° | 0.3° |
| H6 | C15 | C16 | H19 | 1.7° | 0.0° |
| H7 | C8 | C9 | H16 | 1.8° | 0.0° |
| H8 | O1 | C1 | H9 | 60.1° | 60.0° |
| H8 | O1 | C1 | H10 | 60.1° | 60.0° |
| H9 | C1 | C2 | H11 | 86.3° | 67.1° |
| H9 | C1 | C2 | H12 | 33.1° | 172.8° |
| H10 | C1 | C2 | H11 | 153.6° | 52.9° |
| H10 | C1 | C2 | H12 | 87.0° | 67.1° |
| H20 | C18 | C19 | H22 | 33.3° | 37.5° |
| H20 | C18 | C19 | H23 | 89.8° | 85.6° |
| H21 | C18 | C19 | H22 | 154.9° | 160.6° |
| H21 | C18 | C19 | H23 | 31.8° | 37.5° |
| H22 | C19 | C20 | H24 | 135.5° | 22.5° |
| H22 | C19 | C20 | H25 | 15.6° | 144.6° |
| H23 | C19 | C20 | H24 | 12.5° | 100.7° |
| H23 | C19 | C20 | H25 | 107.5° | 21.4° |
| H24 | C20 | C21 | H26 | 11.5° | 122.9° |
| H24 | C20 | C21 | H27 | 111.0° | 1.6° |
| H25 | C20 | C21 | H26 | 131.5° | 0.8° |
| H25 | C20 | C21 | H27 | 9.0° | 120.5° |
| H32 | C28 | C29 | H33 | 3.8° | 0.0° |
| H33 | C29 | N8 | H34 | 2.8° | 0.1° |
