A1ASA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | N2 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.48Å | 1.45Å | |
| N1 | C5 | sing | 1.48Å | 1.48Å | |
| N1 | C9 | sing | 1.35Å | 1.35Å | |
| C2 | C3 | sing | 1.54Å | 1.52Å | |
| C3 | C4 | sing | 1.54Å | 1.51Å | |
| C3 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| N2 | C16 | sing | 1.47Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C9 | O2 | doub | 1.21Å | 1.23Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | N3 | sing | 1.46Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C13 | sing | 1.53Å | 1.54Å | |
| C11 | C14 | sing | 1.53Å | 1.54Å | |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| C15 | O3 | doub | 1.21Å | 1.22Å | |
| C15 | C27 | sing | 1.51Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C16 | C18 | sing | 1.51Å | 1.53Å | |
| C17 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C18 | N5 | doub | 1.28Å | 1.29Å | |
| C19 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| N4 | C20 | doub | 1.31Å | 1.31Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.42Å | 1.43Å | Aromatic |
| C21 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | C26 | sing | 1.40Å | 1.43Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.36Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C24 | F1 | sing | 1.35Å | 1.36Å | |
| C25 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | F2 | sing | 1.40Å | 1.33Å | |
| C27 | F3 | sing | 1.40Å | 1.32Å | |
| C27 | F4 | sing | 1.40Å | 1.33Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H30 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C23 | H28 | sing | 1.08Å | 1.08Å | |
| C25 | H29 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| N5 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 122.2° | 120.0° |
| C2 | C1 | N2 | 113.5° | 120.0° |
| C1 | C2 | N1 | 108.4° | 110.4° |
| C1 | C2 | C3 | 118.0° | 110.4° |
| C1 | C2 | H1 | 109.4° | 110.3° |
| O1 | C1 | N2 | 124.3° | 120.0° |
| C1 | N2 | C16 | 126.9° | 120.0° |
| C1 | N2 | H6 | 116.6° | 120.0° |
| C2 | N1 | C5 | 112.9° | 104.3° |
| C2 | N1 | C9 | 121.1° | 127.9° |
| N1 | C2 | C3 | 100.8° | 104.6° |
| N1 | C2 | H1 | 110.4° | 110.4° |
| C5 | N1 | C9 | 125.9° | 127.8° |
| N1 | C5 | C4 | 103.1° | 104.6° |
| N1 | C5 | H5 | 111.0° | 110.4° |
| N1 | C5 | H4 | 111.0° | 110.4° |
| N1 | C9 | O2 | 117.2° | 120.0° |
| N1 | C9 | C10 | 120.8° | 120.0° |
| C2 | C3 | C4 | 110.8° | 105.0° |
| C2 | C3 | C6 | 121.6° | 118.1° |
| C3 | C2 | H1 | 109.5° | 110.5° |
| C2 | C3 | H2 | 117.0° | 117.6° |
| C4 | C3 | C6 | 60.1° | 59.7° |
| C3 | C4 | C5 | 105.3° | 104.9° |
| C3 | C4 | C6 | 60.6° | 59.8° |
| C3 | C4 | H3 | 119.3° | 123.1° |
| C4 | C3 | H2 | 117.2° | 121.8° |
| C3 | C6 | C4 | 59.3° | 60.5° |
| C3 | C6 | C7 | 105.3° | 117.5° |
| C3 | C6 | C8 | 130.0° | 117.4° |
| C6 | C3 | H2 | 116.8° | 120.2° |
| C5 | C4 | C6 | 118.6° | 118.1° |
| C5 | C4 | H3 | 118.9° | 117.6° |
| C4 | C5 | H5 | 111.1° | 110.3° |
| C4 | C5 | H4 | 111.0° | 110.4° |
| C4 | C6 | C7 | 128.8° | 117.5° |
| C4 | C6 | C8 | 117.1° | 117.4° |
| C6 | C4 | H3 | 119.0° | 119.6° |
| N2 | C16 | C17 | 104.3° | 109.4° |
| N2 | C16 | C18 | 115.4° | 109.5° |
| N2 | C16 | H24 | 107.4° | 109.4° |
| C16 | N2 | H6 | 116.6° | 120.0° |
| C7 | C6 | C8 | 109.2° | 115.5° |
| C6 | C7 | H8 | 109.5° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| C6 | C7 | H7 | 109.4° | 109.5° |
| C6 | C8 | H12 | 109.5° | 109.4° |
| C6 | C8 | H10 | 109.5° | 109.5° |
| C6 | C8 | H11 | 109.5° | 109.5° |
| O2 | C9 | C10 | 122.0° | 120.0° |
| C9 | C10 | C11 | 117.9° | 109.5° |
| C9 | C10 | N3 | 104.0° | 109.5° |
| C9 | C10 | H13 | 107.4° | 109.4° |
| C11 | C10 | N3 | 111.8° | 109.5° |
| C10 | C11 | C12 | 115.0° | 109.5° |
| C10 | C11 | C13 | 108.5° | 109.4° |
| C10 | C11 | C14 | 110.1° | 109.5° |
| C11 | C10 | H13 | 107.0° | 109.5° |
| C10 | N3 | C15 | 127.4° | 120.0° |
| C10 | N3 | H23 | 116.3° | 120.0° |
| N3 | C10 | H13 | 108.4° | 109.5° |
| C12 | C11 | C13 | 106.5° | 109.5° |
| C12 | C11 | C14 | 108.2° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.4° |
| C11 | C12 | H15 | 109.5° | 109.4° |
| C11 | C12 | H16 | 109.5° | 109.4° |
| C13 | C11 | C14 | 108.3° | 109.5° |
| C11 | C13 | H17 | 109.5° | 109.5° |
| C11 | C13 | H19 | 109.5° | 109.4° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| C11 | C14 | H20 | 109.5° | 109.5° |
| C11 | C14 | H21 | 109.5° | 109.4° |
| C11 | C14 | H22 | 109.5° | 109.5° |
| N3 | C15 | O3 | 126.8° | 120.0° |
| N3 | C15 | C27 | 113.5° | 120.0° |
| C15 | N3 | H23 | 116.3° | 120.0° |
| O3 | C15 | C27 | 119.6° | 120.0° |
| C15 | C27 | F2 | 113.0° | 109.5° |
| C15 | C27 | F3 | 110.6° | 109.4° |
| C15 | C27 | F4 | 112.1° | 109.5° |
| C17 | C16 | C18 | 115.6° | 109.5° |
| C16 | C17 | C19 | 121.6° | 120.6° |
| C16 | C17 | C22 | 119.7° | 120.7° |
| C17 | C16 | H24 | 106.7° | 109.4° |
| C16 | C18 | N5 | 126.9° | 120.0° |
| C18 | C16 | H24 | 106.8° | 109.5° |
| C16 | C18 | H25 | 116.5° | 120.0° |
| C19 | C17 | C22 | 118.6° | 118.7° |
| C17 | C19 | N4 | 122.6° | 121.8° |
| C17 | C19 | H26 | 118.7° | 119.1° |
| C17 | C22 | C21 | 118.0° | 118.2° |
| C17 | C22 | C26 | 122.9° | 122.2° |
| N5 | C18 | H25 | 116.6° | 120.0° |
| C18 | N5 | H31 | 112.0° | 120.0° |
| C19 | N4 | C20 | 119.7° | 122.8° |
| N4 | C19 | H26 | 118.7° | 119.1° |
| N4 | C20 | C21 | 123.4° | 119.8° |
| N4 | C20 | H27 | 118.3° | 120.1° |
| C20 | C21 | C22 | 117.6° | 118.6° |
| C20 | C21 | C23 | 123.3° | 122.0° |
| C21 | C20 | H27 | 118.3° | 120.1° |
| C22 | C21 | C23 | 119.1° | 119.4° |
| C21 | C22 | C26 | 119.0° | 119.6° |
| C21 | C23 | C24 | 119.1° | 119.5° |
| C21 | C23 | H28 | 120.5° | 120.3° |
| C22 | C26 | C25 | 120.3° | 119.5° |
| C22 | C26 | H30 | 119.8° | 120.3° |
| C23 | C24 | C25 | 123.6° | 121.0° |
| C23 | C24 | F1 | 118.6° | 119.5° |
| C24 | C23 | H28 | 120.4° | 120.2° |
| C25 | C24 | F1 | 117.7° | 119.5° |
| C24 | C25 | C26 | 118.8° | 121.0° |
| C24 | C25 | H29 | 120.6° | 119.4° |
| C25 | C26 | H30 | 119.8° | 120.2° |
| C26 | C25 | H29 | 120.6° | 119.5° |
| F2 | C27 | F3 | 107.4° | 109.4° |
| F2 | C27 | F4 | 108.1° | 109.5° |
| F3 | C27 | F4 | 105.2° | 109.5° |
| H5 | C5 | H4 | 109.5° | 110.4° |
| H8 | C7 | H9 | 109.4° | 109.4° |
| H8 | C7 | H7 | 109.5° | 109.5° |
| H9 | C7 | H7 | 109.5° | 109.5° |
| H12 | C8 | H10 | 109.5° | 109.5° |
| H12 | C8 | H11 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H17 | C13 | H19 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.4° | 109.5° |
| H19 | C13 | H18 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H14 | C12 | H16 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.6° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.4° |
| H21 | C14 | H22 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | N2 | 178.2° | 180.0° |
| C1 | C2 | N1 | C3 | 124.5° | 118.8° |
| C1 | C2 | N1 | H1 | 119.8° | 122.3° |
| C1 | C2 | N1 | C5 | 97.9° | 79.2° |
| C1 | C2 | N1 | C9 | 83.7° | 100.5° |
| C1 | C2 | C3 | H1 | 125.9° | 122.4° |
| C1 | C2 | C3 | C4 | 101.8° | 94.9° |
| C1 | C2 | C3 | C6 | 168.8° | 158.3° |
| C2 | C1 | N2 | C16 | 176.7° | 180.0° |
| C1 | C2 | C3 | H2 | 36.1° | 44.2° |
| C2 | C1 | N2 | H6 | 3.3° | 0.0° |
| O1 | C1 | C2 | N1 | 69.9° | 18.6° |
| O1 | C1 | C2 | C3 | 43.6° | 96.6° |
| O1 | C1 | N2 | C16 | 1.6° | 0.1° |
| O1 | C1 | C2 | H1 | 169.6° | 140.9° |
| O1 | C1 | N2 | H6 | 178.4° | 180.0° |
| N2 | C1 | C2 | N1 | 108.5° | 161.4° |
| N2 | C1 | C2 | C3 | 138.0° | 83.4° |
| C1 | N2 | C16 | H6 | 180.0° | 179.9° |
| C1 | N2 | C16 | C17 | 140.3° | 155.0° |
| C1 | N2 | C16 | C18 | 91.7° | 85.0° |
| C1 | N2 | C16 | H24 | 27.2° | 35.1° |
| N2 | C1 | C2 | H1 | 12.0° | 39.1° |
| C2 | N1 | C5 | C9 | 178.3° | 179.7° |
| N1 | C2 | C3 | H1 | 116.4° | 118.9° |
| N1 | C2 | C3 | C4 | 15.8° | 23.8° |
| N1 | C2 | C3 | C6 | 51.1° | 39.5° |
| C2 | N1 | C5 | C4 | 26.9° | 39.6° |
| C2 | N1 | C9 | O2 | 1.1° | 3.8° |
| C2 | N1 | C9 | C10 | 179.3° | 176.2° |
| C2 | N1 | C5 | H5 | 145.9° | 158.3° |
| C2 | N1 | C5 | H4 | 92.0° | 79.2° |
| N1 | C2 | C3 | H2 | 153.8° | 163.0° |
| C5 | N1 | C2 | C3 | 26.6° | 39.6° |
| N1 | C5 | C4 | C3 | 14.5° | 23.9° |
| N1 | C5 | C4 | H5 | 119.0° | 118.8° |
| N1 | C5 | C4 | H4 | 119.0° | 118.8° |
| N1 | C5 | C4 | C6 | 49.9° | 39.4° |
| C5 | N1 | C9 | O2 | 179.2° | 176.6° |
| C5 | N1 | C9 | C10 | 1.1° | 3.4° |
| N1 | C5 | C4 | H3 | 151.4° | 164.9° |
| N1 | C5 | H5 | H4 | 122.9° | 122.5° |
| C5 | N1 | C2 | H1 | 142.4° | 158.5° |
| C9 | N1 | C2 | C3 | 151.8° | 140.7° |
| C9 | N1 | C5 | C4 | 151.4° | 140.7° |
| N1 | C9 | O2 | C10 | 179.7° | 180.0° |
| N1 | C9 | C10 | C11 | 120.1° | 86.9° |
| N1 | C9 | C10 | N3 | 115.6° | 153.1° |
| C9 | N1 | C5 | H5 | 32.4° | 22.0° |
| C9 | N1 | C5 | H4 | 89.6° | 100.5° |
| N1 | C9 | C10 | H13 | 0.8° | 33.1° |
| C9 | N1 | C2 | H1 | 36.0° | 21.8° |
| C2 | C3 | C4 | C6 | 115.3° | 114.1° |
| C2 | C3 | C4 | H2 | 137.9° | 137.0° |
| C2 | C3 | C6 | H2 | 155.1° | 156.9° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C6 | C7 | 136.3° | 160.8° |
| C2 | C3 | C6 | C8 | 3.8° | 16.1° |
| C2 | C3 | C4 | H3 | 135.9° | 138.3° |
| C4 | C3 | C6 | H2 | 107.5° | 111.5° |
| C3 | C4 | C5 | C6 | 64.5° | 63.4° |
| C3 | C4 | C5 | H3 | 136.9° | 141.0° |
| C3 | C4 | C6 | H3 | 109.2° | 113.4° |
| C4 | C3 | C6 | C7 | 126.3° | 107.7° |
| C4 | C3 | C6 | C8 | 101.2° | 107.7° |
| C3 | C4 | C5 | H5 | 133.5° | 142.7° |
| C3 | C4 | C5 | H4 | 104.4° | 94.9° |
| C4 | C3 | C2 | H1 | 132.3° | 142.7° |
| C3 | C6 | C7 | C8 | 143.2° | 145.3° |
| C3 | C6 | C7 | H8 | 180.0° | 60.6° |
| C3 | C6 | C7 | H9 | 60.0° | 59.3° |
| C3 | C6 | C7 | H7 | 60.0° | 179.4° |
| C3 | C6 | C8 | H12 | 180.0° | 179.4° |
| C3 | C6 | C8 | H10 | 60.0° | 59.4° |
| C3 | C6 | C8 | H11 | 60.0° | 60.6° |
| C6 | C3 | C2 | H1 | 65.3° | 79.4° |
| C5 | C4 | C6 | H3 | 158.7° | 155.1° |
| C5 | C4 | C6 | C7 | 177.3° | 160.8° |
| C5 | C4 | C6 | C8 | 30.2° | 16.0° |
| C4 | C5 | H5 | H4 | 123.0° | 122.4° |
| C5 | C4 | C3 | H2 | 138.6° | 136.9° |
| C4 | C6 | C7 | C8 | 154.2° | 145.5° |
| C6 | C4 | C5 | H5 | 69.0° | 79.3° |
| C6 | C4 | C5 | H4 | 168.9° | 158.3° |
| C4 | C6 | C7 | H8 | 117.3° | 8.6° |
| C4 | C6 | C7 | H9 | 2.6° | 128.5° |
| C4 | C6 | C7 | H7 | 122.7° | 111.4° |
| C4 | C6 | C8 | H12 | 108.6° | 111.4° |
| C4 | C6 | C8 | H10 | 131.4° | 128.6° |
| C4 | C6 | C8 | H11 | 11.4° | 8.5° |
| N2 | C16 | C17 | C18 | 127.9° | 120.0° |
| N2 | C16 | C17 | H24 | 113.6° | 119.9° |
| N2 | C16 | C18 | H24 | 119.3° | 120.0° |
| N2 | C16 | C17 | C19 | 84.1° | 25.1° |
| N2 | C16 | C17 | C22 | 93.0° | 155.3° |
| N2 | C16 | C18 | N5 | 150.0° | 0.0° |
| N2 | C16 | C18 | H25 | 29.9° | 180.0° |
| C7 | C6 | C4 | H3 | 24.0° | 5.7° |
| C6 | C7 | H8 | H9 | 120.0° | 120.0° |
| C6 | C7 | H8 | H7 | 120.0° | 120.0° |
| C6 | C7 | H9 | H7 | 120.0° | 120.0° |
| C7 | C6 | C8 | H12 | 48.9° | 34.0° |
| C7 | C6 | C8 | H10 | 71.1° | 86.0° |
| C7 | C6 | C8 | H11 | 169.0° | 154.0° |
| C7 | C6 | C3 | H2 | 18.9° | 3.8° |
| C8 | C6 | C4 | H3 | 128.4° | 139.1° |
| C8 | C6 | C7 | H8 | 36.8° | 154.0° |
| C8 | C6 | C7 | H9 | 156.8° | 86.0° |
| C8 | C6 | C7 | H7 | 83.2° | 34.0° |
| C6 | C8 | H12 | H10 | 120.0° | 120.0° |
| C6 | C8 | H12 | H11 | 120.0° | 120.0° |
| C6 | C8 | H10 | H11 | 120.0° | 120.1° |
| C8 | C6 | C3 | H2 | 151.3° | 140.8° |
| O2 | C9 | C10 | C11 | 59.6° | 93.1° |
| O2 | C9 | C10 | N3 | 64.7° | 26.9° |
| O2 | C9 | C10 | H13 | 179.5° | 146.9° |
| C9 | C10 | C11 | N3 | 120.4° | 120.0° |
| C9 | C10 | C11 | H13 | 121.1° | 120.0° |
| C9 | C10 | N3 | H13 | 114.1° | 120.0° |
| C9 | C10 | C11 | C12 | 56.8° | 58.5° |
| C9 | C10 | C11 | C13 | 62.3° | 178.5° |
| C9 | C10 | C11 | C14 | 179.3° | 61.5° |
| C9 | C10 | N3 | C15 | 101.1° | 154.9° |
| C9 | C10 | N3 | H23 | 79.0° | 25.0° |
| C11 | C10 | N3 | H13 | 117.7° | 120.0° |
| C10 | C11 | C12 | C13 | 120.3° | 120.0° |
| C10 | C11 | C12 | C14 | 123.5° | 120.0° |
| C10 | C11 | C13 | C14 | 119.5° | 120.0° |
| C11 | C10 | N3 | C15 | 130.7° | 85.0° |
| C11 | C10 | N3 | H23 | 49.3° | 95.0° |
| C10 | C11 | C13 | H17 | 180.0° | 60.0° |
| C10 | C11 | C13 | H19 | 60.0° | 180.0° |
| C10 | C11 | C13 | H18 | 60.0° | 60.0° |
| C10 | C11 | C12 | H14 | 180.0° | 60.0° |
| C10 | C11 | C12 | H15 | 60.0° | 180.0° |
| C10 | C11 | C12 | H16 | 60.0° | 60.0° |
| C10 | C11 | C14 | H20 | 180.0° | 62.3° |
| C10 | C11 | C14 | H21 | 60.0° | 177.7° |
| C10 | C11 | C14 | H22 | 60.0° | 57.7° |
| N3 | C10 | C11 | C12 | 63.5° | 61.5° |
| N3 | C10 | C11 | C13 | 177.3° | 58.5° |
| N3 | C10 | C11 | C14 | 58.9° | 178.5° |
| C10 | N3 | C15 | H23 | 180.0° | 179.9° |
| C10 | N3 | C15 | O3 | 0.2° | 0.1° |
| C10 | N3 | C15 | C27 | 179.7° | 180.0° |
| C12 | C11 | C13 | C14 | 116.1° | 120.0° |
| C12 | C11 | C10 | H13 | 177.9° | 178.5° |
| C12 | C11 | C13 | H17 | 55.7° | 60.0° |
| C12 | C11 | C13 | H19 | 64.4° | 60.0° |
| C12 | C11 | C13 | H18 | 175.6° | 180.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H16 | 120.0° | 119.9° |
| C11 | C12 | H15 | H16 | 120.0° | 120.0° |
| C12 | C11 | C14 | H20 | 53.6° | 177.7° |
| C12 | C11 | C14 | H21 | 173.6° | 57.7° |
| C12 | C11 | C14 | H22 | 66.4° | 62.3° |
| C13 | C11 | C10 | H13 | 58.7° | 61.5° |
| C11 | C13 | H17 | H19 | 120.0° | 120.0° |
| C11 | C13 | H17 | H18 | 120.0° | 120.0° |
| C11 | C13 | H19 | H18 | 120.0° | 120.0° |
| C13 | C11 | C12 | H14 | 59.7° | 179.9° |
| C13 | C11 | C12 | H15 | 179.7° | 60.0° |
| C13 | C11 | C12 | H16 | 60.3° | 60.0° |
| C13 | C11 | C14 | H20 | 61.5° | 57.7° |
| C13 | C11 | C14 | H21 | 58.5° | 62.3° |
| C13 | C11 | C14 | H22 | 178.5° | 177.6° |
| C14 | C11 | C10 | H13 | 59.6° | 58.5° |
| C14 | C11 | C13 | H17 | 60.5° | 180.0° |
| C14 | C11 | C13 | H19 | 179.5° | 60.0° |
| C14 | C11 | C13 | H18 | 59.5° | 60.0° |
| C14 | C11 | C12 | H14 | 56.5° | 60.0° |
| C14 | C11 | C12 | H15 | 63.5° | 60.0° |
| C14 | C11 | C12 | H16 | 176.5° | 180.0° |
| C11 | C14 | H20 | H21 | 120.0° | 120.0° |
| C11 | C14 | H20 | H22 | 120.0° | 120.0° |
| C11 | C14 | H21 | H22 | 120.0° | 120.0° |
| N3 | C15 | O3 | C27 | 179.5° | 179.9° |
| N3 | C15 | C27 | F2 | 175.5° | 180.0° |
| N3 | C15 | C27 | F3 | 64.1° | 60.1° |
| N3 | C15 | C27 | F4 | 53.0° | 59.9° |
| C15 | N3 | C10 | H13 | 13.0° | 35.0° |
| O3 | C15 | C27 | F2 | 4.1° | 0.1° |
| O3 | C15 | C27 | F3 | 116.4° | 120.1° |
| O3 | C15 | C27 | F4 | 126.5° | 119.9° |
| O3 | C15 | N3 | H23 | 179.8° | 180.0° |
| C15 | C27 | F2 | F3 | 122.3° | 120.0° |
| C15 | C27 | F2 | F4 | 124.6° | 120.1° |
| C15 | C27 | F3 | F4 | 121.2° | 120.0° |
| C27 | C15 | N3 | H23 | 0.3° | 0.1° |
| C17 | C16 | C18 | H24 | 118.5° | 120.0° |
| C16 | C17 | C19 | C22 | 177.2° | 179.6° |
| C17 | C16 | C18 | N5 | 87.8° | 120.0° |
| C16 | C17 | C19 | N4 | 179.0° | 179.7° |
| C16 | C17 | C22 | C21 | 179.4° | 179.7° |
| C16 | C17 | C22 | C26 | 1.8° | 0.3° |
| C17 | C16 | C18 | H25 | 92.2° | 60.0° |
| C16 | C17 | C19 | H26 | 1.0° | 0.3° |
| C17 | C16 | N2 | H6 | 39.7° | 25.1° |
| C18 | C16 | C17 | C19 | 43.8° | 95.0° |
| C18 | C16 | C17 | C22 | 139.1° | 84.7° |
| C16 | C18 | N5 | H25 | 180.0° | 180.0° |
| C18 | C16 | N2 | H6 | 88.3° | 95.0° |
| C16 | C18 | N5 | H31 | 180.0° | 180.0° |
| C17 | C19 | N4 | H26 | 180.0° | 180.0° |
| C17 | C19 | N4 | C20 | 0.3° | 0.1° |
| C19 | C17 | C22 | C21 | 2.1° | 0.1° |
| C19 | C17 | C22 | C26 | 179.0° | 180.0° |
| C19 | C17 | C16 | H24 | 162.3° | 145.0° |
| C22 | C17 | C19 | N4 | 1.8° | 0.1° |
| C17 | C22 | C21 | C20 | 1.1° | 0.0° |
| C17 | C22 | C21 | C26 | 178.9° | 180.0° |
| C17 | C22 | C21 | C23 | 179.5° | 180.0° |
| C17 | C22 | C26 | C25 | 179.3° | 180.0° |
| C17 | C22 | C26 | H30 | 0.7° | 0.0° |
| C22 | C17 | C16 | H24 | 20.6° | 35.4° |
| C22 | C17 | C19 | H26 | 178.1° | 180.0° |
| N5 | C18 | C16 | H24 | 30.7° | 120.0° |
| C19 | N4 | C20 | C21 | 0.9° | 0.0° |
| C19 | N4 | C20 | H27 | 179.1° | 180.0° |
| N4 | C20 | C21 | H27 | 180.0° | 180.0° |
| N4 | C20 | C21 | C22 | 0.5° | 0.0° |
| N4 | C20 | C21 | C23 | 178.9° | 180.0° |
| C20 | N4 | C19 | H26 | 179.7° | 180.0° |
| C20 | C21 | C22 | C23 | 179.4° | 180.0° |
| C20 | C21 | C22 | C26 | 180.0° | 180.0° |
| C20 | C21 | C23 | C24 | 179.8° | 179.9° |
| C20 | C21 | C23 | H28 | 0.2° | 0.1° |
| C22 | C21 | C23 | C24 | 0.4° | 0.1° |
| C21 | C22 | C26 | C25 | 0.4° | 0.0° |
| C22 | C21 | C20 | H27 | 179.5° | 180.0° |
| C21 | C22 | C26 | H30 | 179.6° | 180.0° |
| C22 | C21 | C23 | H28 | 179.6° | 180.0° |
| C23 | C21 | C22 | C26 | 0.6° | 0.0° |
| C21 | C23 | C24 | H28 | 180.0° | 179.9° |
| C21 | C23 | C24 | C25 | 0.1° | 0.1° |
| C21 | C23 | C24 | F1 | 179.7° | 180.0° |
| C23 | C21 | C20 | H27 | 1.1° | 0.0° |
| C22 | C26 | C25 | C24 | 0.0° | 0.0° |
| C22 | C26 | C25 | H30 | 180.0° | 180.0° |
| C22 | C26 | C25 | H29 | 180.0° | 180.0° |
| C23 | C24 | C25 | F1 | 179.7° | 179.9° |
| C23 | C24 | C25 | C26 | 0.3° | 0.1° |
| C23 | C24 | C25 | H29 | 179.7° | 179.9° |
| C24 | C25 | C26 | H29 | 180.0° | 180.0° |
| C24 | C25 | C26 | H30 | 180.0° | 180.0° |
| C25 | C24 | C23 | H28 | 179.9° | 180.0° |
| F1 | C24 | C25 | C26 | 179.9° | 180.0° |
| F1 | C24 | C23 | H28 | 0.3° | 0.1° |
| F1 | C24 | C25 | H29 | 0.0° | 0.0° |
| F2 | C27 | F3 | F4 | 115.1° | 119.9° |
| H23 | N3 | C10 | H13 | 167.0° | 145.0° |
| H3 | C4 | C5 | H5 | 89.6° | 76.3° |
| H3 | C4 | C5 | H4 | 32.4° | 46.1° |
| H3 | C4 | C3 | H2 | 2.0° | 1.3° |
| H8 | C7 | H9 | H7 | 120.0° | 120.0° |
| H12 | C8 | H10 | H11 | 120.0° | 120.0° |
| H17 | C13 | H19 | H18 | 120.0° | 120.0° |
| H30 | C26 | C25 | H29 | 0.0° | 0.0° |
| H14 | C12 | H15 | H16 | 120.0° | 120.1° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
| H24 | C16 | C18 | H25 | 149.3° | 60.0° |
| H24 | C16 | N2 | H6 | 152.8° | 145.0° |
| H25 | C18 | N5 | H31 | 0.1° | 0.0° |
| H1 | C2 | C3 | H2 | 89.8° | 78.1° |
