9B9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C11 | sing | 1.49Å | 1.47Å | |
| N4 | C12 | sing | 1.48Å | 1.47Å | |
| C11 | C10 | sing | 1.51Å | 1.52Å | |
| C11 | C14 | sing | 1.55Å | 1.52Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| O3 | C10 | doub | 1.21Å | 1.23Å | |
| C10 | N3 | sing | 1.35Å | 1.34Å | |
| C14 | C13 | sing | 1.55Å | 1.49Å | |
| N3 | C9 | sing | 1.47Å | 1.46Å | |
| C13 | F1 | sing | 1.40Å | 1.39Å | |
| C9 | C8 | sing | 1.55Å | 1.55Å | |
| C9 | C15 | sing | 1.55Å | 1.51Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C15 | C3 | sing | 1.54Å | 1.52Å | |
| N2 | C3 | sing | 1.47Å | 1.48Å | |
| N2 | C4 | sing | 1.35Å | 1.35Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| O2 | C4 | doub | 1.21Å | 1.22Å | |
| C4 | C5 | sing | 1.51Å | 1.47Å | |
| N1 | C1 | sing | 1.35Å | 1.34Å | |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | C16 | sing | 1.48Å | 1.51Å | |
| C17 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.37Å | 1.39Å | Aromatic |
| C16 | C30 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C7 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | doub | 1.37Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.47Å | |
| C19 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | trip | 1.17Å | 1.21Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | |
| C22 | C23 | trip | 1.17Å | 1.21Å | |
| C23 | C24 | sing | 1.47Å | 1.45Å | |
| O4 | C28 | sing | 1.43Å | 1.42Å | |
| O4 | C27 | sing | 1.43Å | 1.43Å | |
| C24 | C26 | sing | 1.53Å | 1.50Å | |
| C24 | C25 | sing | 1.53Å | 1.50Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C26 | C25 | sing | 1.53Å | 1.50Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C8 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| N4 | H22 | sing | 1.01Å | 1.00Å | |
| C17 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.08Å | 1.08Å | |
| C30 | H36 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N4 | C12 | 106.6° | 105.8° |
| N4 | C11 | C10 | 114.2° | 110.7° |
| N4 | C11 | C14 | 101.5° | 103.2° |
| N4 | C11 | H3 | 110.6° | 110.8° |
| C11 | N4 | H22 | 110.2° | 111.0° |
| N4 | C12 | C13 | 105.6° | 107.0° |
| N4 | C12 | H1 | 110.4° | 109.9° |
| N4 | C12 | H2 | 110.4° | 110.1° |
| C12 | N4 | H22 | 110.2° | 111.0° |
| C10 | C11 | C14 | 110.5° | 110.7° |
| C11 | C10 | O3 | 121.0° | 120.0° |
| C11 | C10 | N3 | 114.3° | 120.0° |
| C10 | C11 | H3 | 109.8° | 110.6° |
| C11 | C14 | C13 | 102.1° | 102.9° |
| C14 | C11 | H3 | 109.9° | 110.6° |
| C11 | C14 | H6 | 111.3° | 110.7° |
| C11 | C14 | H7 | 111.3° | 110.7° |
| C12 | C13 | C14 | 105.0° | 105.2° |
| C12 | C13 | F1 | 110.7° | 110.3° |
| C13 | C12 | H1 | 110.4° | 109.9° |
| C13 | C12 | H2 | 110.5° | 110.0° |
| C12 | C13 | H8 | 110.4° | 110.3° |
| O3 | C10 | N3 | 124.7° | 120.0° |
| C10 | N3 | C9 | 124.6° | 120.0° |
| C10 | N3 | H21 | 117.7° | 120.1° |
| C14 | C13 | F1 | 107.1° | 110.3° |
| C13 | C14 | H6 | 111.3° | 110.7° |
| C13 | C14 | H7 | 111.3° | 110.7° |
| C14 | C13 | H8 | 110.9° | 110.3° |
| N3 | C9 | C8 | 112.9° | 111.0° |
| N3 | C9 | C15 | 113.3° | 111.0° |
| N3 | C9 | H11 | 109.5° | 110.9° |
| C9 | N3 | H21 | 117.7° | 119.9° |
| F1 | C13 | H8 | 112.4° | 110.3° |
| C8 | C9 | C15 | 103.8° | 101.6° |
| C9 | C8 | N2 | 103.6° | 104.8° |
| C8 | C9 | H11 | 108.3° | 111.0° |
| C9 | C8 | H19 | 110.9° | 110.4° |
| C9 | C8 | H20 | 110.9° | 110.4° |
| C9 | C15 | C3 | 104.2° | 102.9° |
| C9 | C15 | H4 | 110.8° | 110.7° |
| C9 | C15 | H5 | 110.8° | 110.9° |
| C15 | C9 | H11 | 108.7° | 111.0° |
| C8 | N2 | C3 | 112.1° | 108.7° |
| C8 | N2 | C4 | 126.1° | 125.6° |
| N2 | C8 | H19 | 110.9° | 110.4° |
| N2 | C8 | H20 | 110.9° | 110.4° |
| C15 | C3 | N2 | 101.9° | 107.3° |
| C15 | C3 | C2 | 112.6° | 109.9° |
| C3 | C15 | H4 | 110.8° | 110.7° |
| C3 | C15 | H5 | 110.7° | 110.7° |
| C15 | C3 | H16 | 109.0° | 109.9° |
| C3 | N2 | C4 | 121.7° | 125.7° |
| N2 | C3 | C2 | 114.5° | 109.9° |
| N2 | C3 | H16 | 109.6° | 110.0° |
| N2 | C4 | O2 | 119.8° | 120.0° |
| N2 | C4 | C5 | 119.4° | 120.0° |
| C3 | C2 | N1 | 109.4° | 109.5° |
| C3 | C2 | H12 | 109.5° | 109.4° |
| C3 | C2 | H13 | 109.5° | 109.5° |
| C2 | C3 | H16 | 109.0° | 109.9° |
| C2 | N1 | C1 | 124.1° | 120.0° |
| N1 | C2 | H12 | 109.5° | 109.5° |
| N1 | C2 | H13 | 109.5° | 109.5° |
| C2 | N1 | H18 | 117.9° | 120.0° |
| O2 | C4 | C5 | 120.8° | 120.0° |
| C4 | C5 | C6 | 117.4° | 117.5° |
| C4 | C5 | C7 | 117.6° | 117.5° |
| C4 | C5 | H17 | 117.2° | 115.6° |
| N1 | C1 | O1 | 121.4° | 120.0° |
| N1 | C1 | C16 | 117.4° | 120.1° |
| C1 | N1 | H18 | 117.9° | 120.0° |
| O1 | C1 | C16 | 121.2° | 120.0° |
| C1 | C16 | C17 | 121.0° | 120.0° |
| C1 | C16 | C30 | 120.3° | 120.0° |
| C16 | C17 | C18 | 120.7° | 120.0° |
| C17 | C16 | C30 | 118.7° | 120.0° |
| C16 | C17 | H24 | 119.6° | 120.0° |
| C17 | C18 | C19 | 121.0° | 120.0° |
| C18 | C17 | H24 | 119.6° | 120.0° |
| C17 | C18 | H25 | 119.5° | 120.0° |
| C16 | C30 | C29 | 120.8° | 120.0° |
| C16 | C30 | H36 | 119.6° | 119.9° |
| C6 | C5 | C7 | 58.5° | 60.0° |
| C5 | C6 | C7 | 60.7° | 60.0° |
| C5 | C6 | H9 | 119.9° | 117.5° |
| C5 | C6 | H10 | 119.9° | 117.5° |
| C6 | C5 | H17 | 116.6° | 117.5° |
| C5 | C7 | C6 | 60.8° | 60.0° |
| C5 | C7 | H14 | 119.9° | 117.5° |
| C5 | C7 | H15 | 119.8° | 117.5° |
| C7 | C5 | H17 | 116.6° | 117.5° |
| C18 | C19 | C29 | 118.0° | 119.9° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C19 | C18 | H25 | 119.5° | 120.0° |
| C30 | C29 | C19 | 120.7° | 120.0° |
| C30 | C29 | H35 | 119.6° | 119.9° |
| C29 | C30 | H36 | 119.6° | 120.1° |
| C7 | C6 | H9 | 119.9° | 117.5° |
| C7 | C6 | H10 | 119.9° | 117.5° |
| C6 | C7 | H14 | 119.9° | 117.4° |
| C6 | C7 | H15 | 119.9° | 117.5° |
| C29 | C19 | C20 | 121.2° | 120.0° |
| C19 | C29 | H35 | 119.6° | 120.1° |
| C19 | C20 | C21 | 171.5° | 180.0° |
| C20 | C21 | C22 | 169.9° | 179.9° |
| C21 | C22 | C23 | 173.0° | 179.9° |
| C22 | C23 | C24 | 174.6° | 180.0° |
| C23 | C24 | C26 | 118.6° | 117.5° |
| C23 | C24 | C25 | 120.2° | 117.5° |
| C23 | C24 | H26 | 116.0° | 115.6° |
| C28 | O4 | C27 | 111.5° | 114.0° |
| O4 | C28 | H32 | 109.5° | 109.5° |
| O4 | C28 | H33 | 109.4° | 109.5° |
| O4 | C28 | H34 | 109.4° | 109.5° |
| O4 | C27 | C26 | 110.6° | 109.5° |
| O4 | C27 | H30 | 109.2° | 109.4° |
| O4 | C27 | H31 | 109.2° | 109.5° |
| C26 | C24 | C25 | 60.0° | 60.0° |
| C24 | C26 | C27 | 119.3° | 117.5° |
| C24 | C26 | C25 | 60.1° | 60.0° |
| C26 | C24 | H26 | 115.2° | 117.5° |
| C24 | C26 | H29 | 115.6° | 117.5° |
| C24 | C25 | C26 | 59.9° | 60.0° |
| C25 | C24 | H26 | 115.2° | 117.5° |
| C24 | C25 | H27 | 120.0° | 117.5° |
| C24 | C25 | H28 | 120.0° | 117.5° |
| C27 | C26 | C25 | 119.4° | 117.5° |
| C27 | C26 | H29 | 115.6° | 115.6° |
| C26 | C27 | H30 | 109.2° | 109.5° |
| C26 | C27 | H31 | 109.2° | 109.5° |
| C26 | C25 | H27 | 120.0° | 117.4° |
| C26 | C25 | H28 | 120.0° | 117.5° |
| C25 | C26 | H29 | 115.6° | 117.5° |
| H1 | C12 | H2 | 109.5° | 109.9° |
| H4 | C15 | H5 | 109.5° | 110.6° |
| H6 | C14 | H7 | 109.4° | 110.8° |
| H9 | C6 | H10 | 109.5° | 115.6° |
| H12 | C2 | H13 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.5° | 115.6° |
| H19 | C8 | H20 | 109.5° | 110.4° |
| H27 | C25 | H28 | 109.4° | 115.6° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H32 | C28 | H34 | 109.5° | 109.4° |
| H33 | C28 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N4 | C12 | H22 | 119.5° | 120.5° |
| N4 | C11 | C10 | C14 | 113.7° | 113.7° |
| N4 | C11 | C10 | H3 | 124.9° | 123.3° |
| N4 | C11 | C14 | H3 | 117.1° | 118.6° |
| C11 | N4 | C12 | C13 | 18.5° | 25.4° |
| N4 | C11 | C10 | O3 | 8.7° | 13.8° |
| N4 | C11 | C10 | N3 | 174.1° | 166.3° |
| N4 | C11 | C14 | C13 | 43.4° | 37.4° |
| C11 | N4 | C12 | H1 | 137.9° | 144.8° |
| C11 | N4 | C12 | H2 | 100.9° | 94.1° |
| N4 | C11 | C14 | H6 | 162.2° | 80.9° |
| N4 | C11 | C14 | H7 | 75.4° | 155.8° |
| C12 | N4 | C11 | C10 | 80.4° | 157.6° |
| C12 | N4 | C11 | C14 | 38.5° | 39.2° |
| N4 | C12 | C13 | H1 | 119.4° | 119.3° |
| N4 | C12 | C13 | H2 | 119.4° | 119.6° |
| N4 | C12 | C13 | C14 | 9.4° | 1.3° |
| N4 | C12 | C13 | F1 | 105.8° | 117.7° |
| N4 | C12 | H1 | H2 | 121.8° | 121.2° |
| C12 | N4 | C11 | H3 | 155.0° | 79.2° |
| N4 | C12 | C13 | H8 | 129.0° | 120.2° |
| C10 | C11 | C14 | H3 | 121.4° | 123.0° |
| C11 | C10 | O3 | N3 | 177.0° | 180.0° |
| C10 | C11 | C14 | C13 | 78.1° | 155.8° |
| C11 | C10 | N3 | C9 | 171.0° | 180.0° |
| C10 | C11 | C14 | H6 | 40.7° | 37.5° |
| C10 | C11 | C14 | H7 | 163.1° | 85.8° |
| C11 | C10 | N3 | H21 | 9.0° | 0.0° |
| C10 | C11 | N4 | H22 | 160.0° | 81.9° |
| C11 | C14 | C13 | C12 | 32.3° | 21.9° |
| C14 | C11 | C10 | O3 | 105.0° | 100.0° |
| C14 | C11 | C10 | N3 | 72.2° | 80.0° |
| C11 | C14 | C13 | H6 | 118.8° | 118.3° |
| C11 | C14 | C13 | H7 | 118.8° | 118.4° |
| C11 | C14 | C13 | F1 | 85.5° | 140.9° |
| C11 | C14 | H6 | H7 | 123.4° | 123.2° |
| C11 | C14 | C13 | H8 | 151.6° | 97.0° |
| C14 | C11 | N4 | H22 | 81.1° | 159.7° |
| C12 | C13 | C14 | F1 | 117.8° | 119.0° |
| C12 | C13 | C14 | H8 | 119.3° | 118.9° |
| C12 | C13 | F1 | H8 | 124.0° | 122.1° |
| C13 | C12 | H1 | H2 | 121.8° | 121.2° |
| C12 | C13 | C14 | H6 | 151.1° | 96.4° |
| C12 | C13 | C14 | H7 | 86.5° | 140.3° |
| C13 | C12 | N4 | H22 | 101.0° | 145.9° |
| O3 | C10 | N3 | C9 | 11.8° | 0.1° |
| O3 | C10 | C11 | H3 | 133.6° | 137.0° |
| O3 | C10 | N3 | H21 | 168.2° | 180.0° |
| C10 | N3 | C9 | H21 | 180.0° | 180.0° |
| C10 | N3 | C9 | C8 | 173.8° | 86.4° |
| C10 | N3 | C9 | C15 | 68.6° | 161.4° |
| N3 | C10 | C11 | H3 | 49.1° | 43.0° |
| C10 | N3 | C9 | H11 | 53.0° | 37.5° |
| C14 | C13 | F1 | H8 | 122.0° | 122.2° |
| C14 | C13 | C12 | H1 | 110.0° | 120.6° |
| C14 | C13 | C12 | H2 | 128.8° | 118.3° |
| C13 | C14 | C11 | H3 | 160.5° | 81.2° |
| C13 | C14 | H6 | H7 | 123.4° | 123.3° |
| N3 | C9 | C8 | C15 | 123.0° | 118.1° |
| N3 | C9 | C8 | H11 | 121.5° | 123.8° |
| N3 | C9 | C15 | H11 | 122.0° | 123.8° |
| N3 | C9 | C8 | N2 | 99.4° | 155.1° |
| N3 | C9 | C15 | C3 | 85.6° | 153.6° |
| N3 | C9 | C15 | H4 | 33.6° | 35.2° |
| N3 | C9 | C15 | H5 | 155.3° | 88.0° |
| N3 | C9 | C8 | H19 | 141.5° | 86.0° |
| N3 | C9 | C8 | H20 | 19.7° | 36.2° |
| F1 | C13 | C12 | H1 | 134.8° | 1.6° |
| F1 | C13 | C12 | H2 | 13.5° | 122.7° |
| F1 | C13 | C14 | H6 | 33.3° | 22.6° |
| F1 | C13 | C14 | H7 | 155.7° | 100.7° |
| C8 | C9 | C15 | H11 | 115.2° | 118.1° |
| C9 | C8 | N2 | H19 | 119.1° | 118.9° |
| C9 | C8 | N2 | H20 | 119.0° | 118.8° |
| C8 | C9 | C15 | C3 | 37.2° | 35.5° |
| C9 | C8 | N2 | C3 | 1.3° | 24.1° |
| C9 | C8 | N2 | C4 | 177.5° | 155.8° |
| C8 | C9 | C15 | H4 | 156.4° | 82.9° |
| C8 | C9 | C15 | H5 | 82.0° | 153.9° |
| C9 | C8 | H19 | H20 | 122.7° | 122.3° |
| C8 | C9 | N3 | H21 | 6.2° | 93.6° |
| C15 | C9 | C8 | N2 | 23.6° | 37.0° |
| C9 | C15 | C3 | H4 | 119.2° | 118.4° |
| C9 | C15 | C3 | H5 | 119.2° | 118.5° |
| C9 | C15 | C3 | N2 | 35.6° | 22.2° |
| C9 | C15 | C3 | C2 | 87.5° | 141.6° |
| C9 | C15 | H4 | H5 | 122.4° | 123.3° |
| C9 | C15 | C3 | H16 | 151.4° | 97.4° |
| C15 | C9 | C8 | H19 | 95.4° | 155.9° |
| C15 | C9 | C8 | H20 | 142.7° | 81.9° |
| C15 | C9 | N3 | H21 | 111.4° | 18.7° |
| C8 | N2 | C3 | C15 | 21.3° | 1.1° |
| C8 | N2 | C3 | C4 | 176.5° | 179.9° |
| C8 | N2 | C3 | C2 | 100.6° | 118.4° |
| C8 | N2 | C4 | O2 | 7.6° | 174.9° |
| C8 | N2 | C4 | C5 | 171.5° | 5.2° |
| N2 | C8 | C9 | H11 | 139.1° | 81.1° |
| C8 | N2 | C3 | H16 | 136.6° | 120.5° |
| N2 | C8 | H19 | H20 | 122.8° | 122.3° |
| C15 | C3 | N2 | C2 | 121.9° | 119.4° |
| C15 | C3 | N2 | H16 | 115.4° | 119.5° |
| C15 | C3 | N2 | C4 | 155.2° | 178.9° |
| C15 | C3 | C2 | H16 | 121.1° | 121.0° |
| C15 | C3 | C2 | N1 | 75.6° | 65.5° |
| C3 | C15 | H4 | H5 | 122.4° | 123.2° |
| C3 | C15 | C9 | H11 | 152.4° | 82.6° |
| C15 | C3 | C2 | H12 | 164.4° | 174.5° |
| C15 | C3 | C2 | H13 | 44.4° | 54.5° |
| N2 | C3 | C2 | H16 | 123.1° | 121.2° |
| N2 | C3 | C2 | N1 | 168.6° | 176.7° |
| C3 | N2 | C4 | O2 | 168.4° | 5.1° |
| C3 | N2 | C4 | C5 | 12.5° | 174.9° |
| N2 | C3 | C15 | H4 | 154.8° | 96.2° |
| N2 | C3 | C15 | H5 | 83.6° | 140.7° |
| N2 | C3 | C2 | H12 | 48.6° | 56.7° |
| N2 | C3 | C2 | H13 | 71.4° | 63.3° |
| C3 | N2 | C8 | H19 | 117.8° | 143.0° |
| C3 | N2 | C8 | H20 | 120.3° | 94.7° |
| C4 | N2 | C3 | C2 | 82.9° | 61.7° |
| N2 | C4 | O2 | C5 | 179.1° | 179.9° |
| N2 | C4 | C5 | C6 | 147.4° | 180.0° |
| N2 | C4 | C5 | C7 | 145.8° | 111.4° |
| C4 | N2 | C3 | H16 | 39.8° | 59.4° |
| N2 | C4 | C5 | H17 | 1.0° | 34.4° |
| C4 | N2 | C8 | H19 | 58.5° | 37.0° |
| C4 | N2 | C8 | H20 | 63.4° | 85.3° |
| C3 | C2 | N1 | H12 | 120.0° | 120.0° |
| C3 | C2 | N1 | H13 | 120.0° | 120.0° |
| C3 | C2 | N1 | C1 | 179.9° | 175.0° |
| C2 | C3 | C15 | H4 | 31.6° | 23.3° |
| C2 | C3 | C15 | H5 | 153.3° | 99.9° |
| C3 | C2 | H12 | H13 | 120.0° | 120.0° |
| C3 | C2 | N1 | H18 | 0.1° | 5.0° |
| C2 | N1 | C1 | H18 | 180.0° | 180.0° |
| C2 | N1 | C1 | O1 | 2.3° | 0.0° |
| C2 | N1 | C1 | C16 | 175.4° | 180.0° |
| N1 | C2 | H12 | H13 | 120.1° | 120.0° |
| N1 | C2 | C3 | H16 | 45.5° | 55.5° |
| O2 | C4 | C5 | C6 | 31.7° | 0.0° |
| O2 | C4 | C5 | C7 | 35.1° | 68.6° |
| O2 | C4 | C5 | H17 | 178.0° | 145.7° |
| C4 | C5 | C6 | C7 | 107.1° | 107.5° |
| C4 | C5 | C6 | H17 | 146.6° | 145.0° |
| C4 | C5 | C7 | H17 | 147.0° | 145.1° |
| C4 | C5 | C6 | H9 | 2.5° | 145.0° |
| C4 | C5 | C6 | H10 | 143.2° | 0.0° |
| C4 | C5 | C7 | H14 | 143.6° | 0.0° |
| C4 | C5 | C7 | H15 | 3.0° | 145.1° |
| N1 | C1 | O1 | C16 | 177.6° | 180.0° |
| N1 | C1 | C16 | C17 | 31.6° | 0.3° |
| N1 | C1 | C16 | C30 | 147.5° | 180.0° |
| C1 | N1 | C2 | H12 | 59.9° | 55.1° |
| C1 | N1 | C2 | H13 | 60.1° | 65.0° |
| O1 | C1 | C16 | C17 | 150.8° | 179.7° |
| O1 | C1 | C16 | C30 | 30.2° | 0.0° |
| O1 | C1 | N1 | H18 | 177.8° | 180.0° |
| C1 | C16 | C17 | C30 | 179.0° | 179.7° |
| C1 | C16 | C17 | C18 | 179.3° | 179.7° |
| C1 | C16 | C30 | C29 | 178.9° | 179.7° |
| C16 | C1 | N1 | H18 | 4.5° | 0.0° |
| C1 | C16 | C17 | H24 | 0.7° | 0.3° |
| C1 | C16 | C30 | H36 | 1.1° | 0.0° |
| C16 | C17 | C18 | H24 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C17 | C16 | C30 | C29 | 0.1° | 0.0° |
| C16 | C17 | C18 | H25 | 179.9° | 179.9° |
| C17 | C16 | C30 | H36 | 179.9° | 179.7° |
| C18 | C17 | C16 | C30 | 0.3° | 0.1° |
| C17 | C18 | C19 | H25 | 180.0° | 180.0° |
| C17 | C18 | C19 | C29 | 0.5° | 0.0° |
| C17 | C18 | C19 | C20 | 177.6° | 180.0° |
| C16 | C30 | C29 | H36 | 180.0° | 179.7° |
| C16 | C30 | C29 | C19 | 0.7° | 0.0° |
| C30 | C16 | C17 | H24 | 179.7° | 180.0° |
| C16 | C30 | C29 | H35 | 179.3° | 180.0° |
| C6 | C5 | C7 | H17 | 106.2° | 107.5° |
| C5 | C6 | C7 | H9 | 109.7° | 107.5° |
| C5 | C6 | C7 | H10 | 109.7° | 107.5° |
| C5 | C6 | H9 | H10 | 144.4° | 145.7° |
| C6 | C5 | C7 | H14 | 109.7° | 107.4° |
| C6 | C5 | C7 | H15 | 109.7° | 107.5° |
| C5 | C7 | H14 | H15 | 144.3° | 145.8° |
| C18 | C19 | C29 | C30 | 0.9° | 0.0° |
| C18 | C19 | C29 | C20 | 177.1° | 180.0° |
| C18 | C19 | C20 | C21 | 93.3° | 40.3° |
| C19 | C18 | C17 | H24 | 179.9° | 180.0° |
| C18 | C19 | C29 | H35 | 179.1° | 180.0° |
| C30 | C29 | C19 | H35 | 180.0° | 180.0° |
| C30 | C29 | C19 | C20 | 178.0° | 180.0° |
| C7 | C6 | H9 | H10 | 144.3° | 145.7° |
| C6 | C7 | H14 | H15 | 144.3° | 145.6° |
| C29 | C19 | C20 | C21 | 83.7° | 139.7° |
| C29 | C19 | C18 | H25 | 179.5° | 180.0° |
| C19 | C29 | C30 | H36 | 179.3° | 179.7° |
| C19 | C20 | C21 | C22 | 0.8° | 139.8° |
| C20 | C19 | C18 | H25 | 2.4° | 0.0° |
| C20 | C19 | C29 | H35 | 2.1° | 0.0° |
| C20 | C21 | C22 | C23 | 61.6° | 180.0° |
| C21 | C22 | C23 | C24 | 76.3° | 134.0° |
| C22 | C23 | C24 | C26 | 147.9° | 46.0° |
| C22 | C23 | C24 | C25 | 142.1° | 114.7° |
| C22 | C23 | C24 | H26 | 4.2° | 99.6° |
| C23 | C24 | C26 | C25 | 110.3° | 107.5° |
| C23 | C24 | C26 | H26 | 144.0° | 145.0° |
| C23 | C24 | C25 | H26 | 146.6° | 145.1° |
| C23 | C24 | C26 | C27 | 140.7° | 145.0° |
| C23 | C24 | C25 | H27 | 1.8° | 0.1° |
| C23 | C24 | C25 | H28 | 142.9° | 145.0° |
| C23 | C24 | C26 | H29 | 4.2° | 0.0° |
| C28 | O4 | C27 | C26 | 151.3° | 180.0° |
| C28 | O4 | C27 | H30 | 31.2° | 60.0° |
| C28 | O4 | C27 | H31 | 88.5° | 60.0° |
| O4 | C28 | H32 | H33 | 120.0° | 120.1° |
| O4 | C28 | H32 | H34 | 120.0° | 120.0° |
| O4 | C28 | H33 | H34 | 120.0° | 120.1° |
| O4 | C27 | C26 | C24 | 93.3° | 175.0° |
| O4 | C27 | C26 | H30 | 120.2° | 120.0° |
| O4 | C27 | C26 | H31 | 120.1° | 120.0° |
| O4 | C27 | C26 | C25 | 163.4° | 116.4° |
| O4 | C27 | C26 | H29 | 51.6° | 29.4° |
| O4 | C27 | H30 | H31 | 119.5° | 120.0° |
| C27 | O4 | C28 | H32 | 180.0° | 180.0° |
| C27 | O4 | C28 | H33 | 60.0° | 60.0° |
| C27 | O4 | C28 | H34 | 60.0° | 60.0° |
| C26 | C24 | C25 | H26 | 105.8° | 107.4° |
| C24 | C26 | C27 | C25 | 70.1° | 68.6° |
| C24 | C26 | C27 | H29 | 144.9° | 145.7° |
| C24 | C26 | C25 | H29 | 106.1° | 107.5° |
| C26 | C24 | C25 | H27 | 109.4° | 107.4° |
| C26 | C24 | C25 | H28 | 109.5° | 107.5° |
| C24 | C26 | C27 | H30 | 26.9° | 65.0° |
| C24 | C26 | C27 | H31 | 146.6° | 55.0° |
| C24 | C25 | H27 | H28 | 144.8° | 145.8° |
| C27 | C26 | C25 | H29 | 145.0° | 145.0° |
| C27 | C26 | C24 | H26 | 3.3° | 0.1° |
| C27 | C26 | C25 | H27 | 141.6° | 145.0° |
| C27 | C26 | C25 | H28 | 0.6° | 0.0° |
| C26 | C27 | H30 | H31 | 119.5° | 120.1° |
| C26 | C25 | H27 | H28 | 144.7° | 145.6° |
| C25 | C26 | C27 | H30 | 43.2° | 3.6° |
| C25 | C26 | C27 | H31 | 76.5° | 123.6° |
| H1 | C12 | C13 | H8 | 9.6° | 120.5° |
| H1 | C12 | N4 | H22 | 18.4° | 94.8° |
| H2 | C12 | C13 | H8 | 111.7° | 0.6° |
| H2 | C12 | N4 | H22 | 139.6° | 26.4° |
| H3 | C11 | C14 | H6 | 80.6° | 160.5° |
| H3 | C11 | C14 | H7 | 41.7° | 37.2° |
| H3 | C11 | N4 | H22 | 35.5° | 41.3° |
| H4 | C15 | C9 | H11 | 88.4° | 159.0° |
| H4 | C15 | C3 | H16 | 89.4° | 144.3° |
| H5 | C15 | C9 | H11 | 33.2° | 35.8° |
| H5 | C15 | C3 | H16 | 32.2° | 21.1° |
| H6 | C14 | C13 | H8 | 89.6° | 144.7° |
| H7 | C14 | C13 | H8 | 32.8° | 21.4° |
| H9 | C6 | C7 | H14 | 140.6° | 145.0° |
| H9 | C6 | C7 | H15 | 0.0° | 0.1° |
| H9 | C6 | C5 | H17 | 144.1° | 0.0° |
| H10 | C6 | C7 | H14 | 0.0° | 0.0° |
| H10 | C6 | C7 | H15 | 140.7° | 145.0° |
| H10 | C6 | C5 | H17 | 3.4° | 145.0° |
| H11 | C9 | C8 | H19 | 20.1° | 37.8° |
| H11 | C9 | C8 | H20 | 101.8° | 160.0° |
| H11 | C9 | N3 | H21 | 127.0° | 142.6° |
| H12 | C2 | C3 | H16 | 74.5° | 64.5° |
| H12 | C2 | N1 | H18 | 120.1° | 124.9° |
| H13 | C2 | C3 | H16 | 165.5° | 175.5° |
| H13 | C2 | N1 | H18 | 119.9° | 115.0° |
| H14 | C7 | C5 | H17 | 3.5° | 145.1° |
| H15 | C7 | C5 | H17 | 144.1° | 0.0° |
| H24 | C17 | C18 | H25 | 0.1° | 0.0° |
| H26 | C24 | C25 | H27 | 144.8° | 145.1° |
| H26 | C24 | C25 | H28 | 3.7° | 0.1° |
| H26 | C24 | C26 | H29 | 148.2° | 144.9° |
| H27 | C25 | C26 | H29 | 3.3° | 0.1° |
| H28 | C25 | C26 | H29 | 144.4° | 145.0° |
| H29 | C26 | C27 | H30 | 171.8° | 149.3° |
| H29 | C26 | C27 | H31 | 68.5° | 90.6° |
| H32 | C28 | H33 | H34 | 120.0° | 119.9° |
| H35 | C29 | C30 | H36 | 0.7° | 0.3° |
