A1AE3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.23Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.52Å | 1.56Å | |
| C3 | C4 | sing | 1.52Å | 1.56Å | |
| C4 | O2 | sing | 1.44Å | 1.46Å | |
| O2 | C5 | sing | 1.44Å | 1.45Å | |
| C3 | C6 | sing | 1.52Å | 1.56Å | |
| C1 | C7 | sing | 1.48Å | 1.49Å | |
| C7 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C8 | N2 | sing | 1.31Å | 1.32Å | Aromatic |
| C7 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | N3 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | C12 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| N3 | C13 | sing | 1.46Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | O3 | sing | 1.36Å | 1.36Å | |
| O3 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C19 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | N5 | sing | 1.32Å | 1.35Å | Aromatic |
| N5 | C21 | doub | 1.32Å | 1.32Å | Aromatic |
| C21 | O4 | sing | 1.36Å | 1.36Å | |
| O4 | C22 | sing | 1.43Å | 1.43Å | |
| C21 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C25 | sing | 1.39Å | 1.41Å | Aromatic |
| C25 | O5 | sing | 1.36Å | 1.37Å | |
| O5 | C26 | sing | 1.43Å | 1.42Å | |
| C25 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| C3 | C5 | sing | 1.52Å | 1.56Å | |
| N2 | C11 | doub | 1.32Å | 1.32Å | Aromatic |
| C10 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| C14 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | 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 | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 119.8° | 120.0° |
| O1 | C1 | C7 | 120.3° | 120.0° |
| C1 | N1 | C2 | 130.2° | 135.9° |
| N1 | C1 | C7 | 119.8° | 120.0° |
| C1 | N1 | C6 | 135.3° | 135.8° |
| N1 | C2 | C3 | 84.3° | 87.5° |
| C2 | N1 | C6 | 94.6° | 88.4° |
| N1 | C2 | H1 | 115.3° | 113.5° |
| N1 | C2 | H2 | 115.3° | 113.5° |
| C2 | C3 | C4 | 124.3° | 123.4° |
| C2 | C3 | C6 | 87.3° | 85.1° |
| C2 | C3 | C5 | 116.4° | 123.4° |
| C3 | C2 | H1 | 115.4° | 113.6° |
| C3 | C2 | H2 | 115.4° | 113.6° |
| C3 | C4 | O2 | 82.4° | 88.0° |
| C4 | C3 | C6 | 126.8° | 123.5° |
| C4 | C3 | C5 | 82.1° | 83.0° |
| C3 | C4 | H3 | 115.8° | 113.4° |
| C3 | C4 | H4 | 115.7° | 113.5° |
| C4 | O2 | C5 | 89.4° | 88.8° |
| O2 | C4 | H3 | 115.7° | 113.4° |
| O2 | C4 | H4 | 115.8° | 113.5° |
| O2 | C5 | C3 | 82.6° | 88.0° |
| O2 | C5 | H5 | 115.7° | 113.4° |
| O2 | C5 | H6 | 115.7° | 113.5° |
| C3 | C6 | N1 | 84.1° | 87.5° |
| C6 | C3 | C5 | 124.3° | 123.5° |
| C3 | C6 | H7 | 115.4° | 113.5° |
| C3 | C6 | H8 | 115.4° | 113.6° |
| C1 | C7 | C8 | 115.5° | 120.4° |
| C1 | C7 | C9 | 125.0° | 120.3° |
| C7 | C8 | N2 | 124.1° | 121.1° |
| C8 | C7 | C9 | 119.5° | 119.3° |
| C7 | C8 | H9 | 117.9° | 119.5° |
| C8 | N2 | C11 | 114.9° | 121.8° |
| N2 | C8 | H9 | 118.0° | 119.4° |
| C7 | C9 | C10 | 117.2° | 118.0° |
| C7 | C9 | H10 | 121.4° | 121.0° |
| C9 | C10 | C11 | 117.2° | 119.2° |
| C9 | C10 | N4 | 133.4° | 133.7° |
| C10 | C9 | H10 | 121.4° | 121.0° |
| C10 | C11 | N3 | 106.6° | 105.8° |
| C10 | C11 | N2 | 127.2° | 120.6° |
| C11 | C10 | N4 | 109.4° | 107.1° |
| C11 | N3 | C12 | 105.6° | 107.5° |
| C11 | N3 | C13 | 126.0° | 126.2° |
| N3 | C11 | N2 | 126.2° | 133.6° |
| N3 | C12 | N4 | 113.7° | 110.2° |
| C12 | N3 | C13 | 128.4° | 126.3° |
| N3 | C12 | H11 | 123.2° | 124.9° |
| C12 | N4 | C10 | 104.6° | 109.4° |
| N4 | C12 | H11 | 123.1° | 124.9° |
| N3 | C13 | C14 | 113.2° | 109.5° |
| N3 | C13 | H12 | 108.5° | 109.5° |
| N3 | C13 | H13 | 108.5° | 109.5° |
| C13 | C14 | C15 | 120.9° | 119.9° |
| C13 | C14 | C27 | 119.5° | 119.9° |
| C14 | C13 | H12 | 108.5° | 109.5° |
| C14 | C13 | H13 | 108.5° | 109.5° |
| C14 | C15 | C16 | 121.0° | 120.2° |
| C15 | C14 | C27 | 119.6° | 120.1° |
| C14 | C15 | H14 | 119.5° | 119.9° |
| C15 | C16 | C17 | 119.4° | 120.0° |
| C16 | C15 | H14 | 119.5° | 119.9° |
| C15 | C16 | H15 | 120.3° | 120.0° |
| C16 | C17 | O3 | 124.5° | 120.1° |
| C16 | C17 | C25 | 120.1° | 119.8° |
| C17 | C16 | H15 | 120.3° | 119.9° |
| C17 | O3 | C18 | 116.7° | 117.0° |
| O3 | C17 | C25 | 115.4° | 120.1° |
| O3 | C18 | C19 | 105.9° | 109.5° |
| O3 | C18 | H16 | 110.4° | 109.4° |
| O3 | C18 | H17 | 110.4° | 109.5° |
| C18 | C19 | C20 | 119.1° | 120.4° |
| C18 | C19 | C24 | 123.2° | 120.3° |
| C19 | C18 | H16 | 110.4° | 109.5° |
| C19 | C18 | H17 | 110.4° | 109.5° |
| C19 | C20 | N5 | 123.1° | 120.9° |
| C20 | C19 | C24 | 117.7° | 119.3° |
| C19 | C20 | H18 | 118.5° | 119.6° |
| C20 | N5 | C21 | 117.6° | 121.6° |
| N5 | C20 | H18 | 118.4° | 119.5° |
| N5 | C21 | O4 | 115.3° | 119.7° |
| N5 | C21 | C23 | 124.0° | 120.7° |
| C21 | O4 | C22 | 117.6° | 117.0° |
| O4 | C21 | C23 | 120.7° | 119.7° |
| O4 | C22 | H21 | 109.5° | 109.4° |
| O4 | C22 | H20 | 109.5° | 109.5° |
| O4 | C22 | H19 | 109.4° | 109.5° |
| C21 | C23 | C24 | 117.6° | 119.1° |
| C21 | C23 | H22 | 121.2° | 120.5° |
| C23 | C24 | C19 | 120.0° | 118.5° |
| C23 | C24 | H23 | 120.0° | 120.7° |
| C24 | C23 | H22 | 121.2° | 120.5° |
| C17 | C25 | O5 | 115.9° | 120.1° |
| C17 | C25 | C27 | 119.6° | 119.9° |
| C25 | O5 | C26 | 116.4° | 117.0° |
| O5 | C25 | C27 | 124.4° | 120.0° |
| O5 | C26 | H26 | 109.5° | 109.5° |
| O5 | C26 | H25 | 109.5° | 109.4° |
| O5 | C26 | H24 | 109.5° | 109.5° |
| C25 | C27 | C14 | 120.3° | 120.0° |
| C25 | C27 | H27 | 119.9° | 120.0° |
| N1 | C6 | H7 | 115.4° | 113.5° |
| N1 | C6 | H8 | 115.4° | 113.6° |
| C3 | C5 | H5 | 115.7° | 113.5° |
| C3 | C5 | H6 | 115.7° | 113.4° |
| C14 | C27 | H27 | 119.8° | 120.0° |
| C19 | C24 | H23 | 120.0° | 120.8° |
| H3 | C4 | H4 | 109.5° | 112.8° |
| H5 | C5 | H6 | 109.5° | 112.8° |
| H7 | C6 | H8 | 109.5° | 112.8° |
| H12 | C13 | H13 | 109.5° | 109.4° |
| H21 | C22 | H20 | 109.5° | 109.5° |
| H21 | C22 | H19 | 109.5° | 109.5° |
| H20 | C22 | H19 | 109.5° | 109.5° |
| H26 | C26 | H25 | 109.5° | 109.5° |
| H26 | C26 | H24 | 109.5° | 109.5° |
| H25 | C26 | H24 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H1 | C2 | H2 | 109.5° | 112.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C7 | 175.2° | 180.0° |
| O1 | C1 | N1 | C2 | 12.6° | 3.2° |
| O1 | C1 | C7 | C8 | 27.9° | 7.6° |
| O1 | C1 | C7 | C9 | 153.4° | 172.3° |
| O1 | C1 | N1 | C6 | 167.9° | 176.6° |
| C1 | N1 | C2 | C6 | 179.7° | 179.8° |
| C1 | N1 | C2 | C3 | 155.6° | 154.5° |
| C1 | N1 | C6 | C3 | 155.6° | 154.5° |
| N1 | C1 | C7 | C8 | 147.2° | 172.4° |
| N1 | C1 | C7 | C9 | 31.5° | 7.6° |
| C1 | N1 | C6 | H7 | 89.0° | 90.8° |
| C1 | N1 | C6 | H8 | 40.3° | 39.8° |
| C1 | N1 | C2 | H1 | 89.0° | 39.9° |
| C1 | N1 | C2 | H2 | 40.2° | 90.8° |
| N1 | C2 | C3 | H1 | 115.4° | 114.6° |
| N1 | C2 | C3 | H2 | 115.4° | 114.6° |
| N1 | C2 | C3 | C4 | 156.4° | 102.5° |
| C2 | N1 | C6 | C3 | 24.0° | 25.6° |
| C2 | N1 | C1 | C7 | 162.6° | 176.8° |
| N1 | C2 | C3 | C5 | 104.9° | 152.3° |
| C2 | N1 | C6 | H7 | 91.3° | 89.0° |
| C2 | N1 | C6 | H8 | 139.3° | 140.4° |
| N1 | C2 | H1 | H2 | 132.0° | 131.0° |
| C2 | C3 | C4 | C6 | 116.0° | 108.4° |
| C2 | C3 | C4 | C5 | 116.7° | 125.8° |
| C2 | C3 | C4 | O2 | 82.3° | 100.5° |
| C2 | C3 | C5 | O2 | 90.1° | 100.5° |
| C2 | C3 | C6 | C5 | 120.5° | 127.4° |
| C2 | C3 | C4 | H3 | 162.7° | 144.7° |
| C2 | C3 | C4 | H4 | 32.7° | 14.3° |
| C2 | C3 | C5 | H5 | 154.9° | 14.2° |
| C2 | C3 | C5 | H6 | 24.9° | 144.6° |
| C2 | C3 | C6 | H7 | 92.9° | 89.7° |
| C2 | C3 | C6 | H8 | 137.8° | 139.6° |
| C3 | C2 | H1 | H2 | 132.1° | 131.1° |
| C3 | C4 | O2 | H3 | 115.0° | 114.8° |
| C3 | C4 | O2 | H4 | 114.9° | 114.9° |
| C4 | C3 | C5 | O2 | 34.3° | 25.2° |
| C4 | C3 | C6 | C5 | 107.6° | 105.3° |
| C4 | C3 | C6 | N1 | 154.4° | 102.5° |
| C3 | C4 | H3 | H4 | 133.0° | 130.8° |
| C4 | C3 | C5 | H5 | 80.7° | 140.0° |
| C4 | C3 | C5 | H6 | 149.4° | 89.6° |
| C4 | C3 | C6 | H7 | 39.1° | 142.9° |
| C4 | C3 | C6 | H8 | 90.2° | 12.2° |
| C4 | C3 | C2 | H1 | 41.0° | 12.1° |
| C4 | C3 | C2 | H2 | 88.2° | 142.9° |
| O2 | C4 | C3 | C6 | 161.7° | 151.1° |
| O2 | C4 | H3 | H4 | 133.0° | 130.7° |
| C4 | O2 | C5 | H5 | 78.2° | 141.3° |
| C4 | O2 | C5 | H6 | 151.9° | 88.2° |
| O2 | C5 | C3 | C6 | 163.9° | 151.1° |
| O2 | C5 | C3 | H5 | 115.0° | 114.8° |
| O2 | C5 | C3 | H6 | 115.0° | 114.8° |
| C5 | O2 | C4 | H3 | 78.3° | 88.2° |
| C5 | O2 | C4 | H4 | 151.6° | 141.4° |
| O2 | C5 | H5 | H6 | 132.9° | 130.8° |
| C3 | C6 | N1 | H7 | 115.3° | 114.6° |
| C3 | C6 | N1 | H8 | 115.3° | 114.8° |
| C6 | C3 | C4 | H3 | 46.7° | 36.4° |
| C6 | C3 | C4 | H4 | 83.3° | 94.1° |
| C6 | C3 | C5 | H5 | 48.9° | 94.2° |
| C6 | C3 | C5 | H6 | 81.0° | 36.3° |
| C3 | C6 | H7 | H8 | 132.1° | 131.1° |
| C6 | C3 | C2 | H1 | 92.9° | 139.5° |
| C6 | C3 | C2 | H2 | 137.8° | 89.7° |
| C1 | C7 | C8 | C9 | 178.8° | 180.0° |
| C1 | C7 | C8 | N2 | 179.2° | 179.9° |
| C1 | C7 | C9 | C10 | 179.2° | 180.0° |
| C7 | C1 | N1 | C6 | 16.9° | 3.4° |
| C1 | C7 | C8 | H9 | 0.8° | 0.0° |
| C1 | C7 | C9 | H10 | 0.8° | 0.1° |
| C7 | C8 | N2 | H9 | 180.0° | 179.9° |
| C8 | C7 | C9 | C10 | 0.6° | 0.0° |
| C7 | C8 | N2 | C11 | 0.3° | 0.0° |
| C8 | C7 | C9 | H10 | 179.5° | 179.9° |
| N2 | C8 | C7 | C9 | 0.5° | 0.0° |
| C8 | N2 | C11 | C10 | 0.3° | 0.0° |
| C8 | N2 | C11 | N3 | 179.6° | 179.9° |
| C7 | C9 | C10 | H10 | 180.0° | 179.9° |
| C7 | C9 | C10 | C11 | 0.5° | 0.1° |
| C7 | C9 | C10 | N4 | 179.3° | 179.6° |
| C9 | C7 | C8 | H9 | 179.5° | 179.9° |
| C9 | C10 | C11 | N4 | 179.8° | 179.8° |
| C9 | C10 | C11 | N3 | 179.8° | 180.0° |
| C9 | C10 | N4 | C12 | 179.5° | 179.9° |
| C9 | C10 | C11 | N2 | 0.4° | 0.1° |
| C10 | C11 | N3 | N2 | 179.4° | 179.9° |
| C10 | C11 | N3 | C12 | 0.2° | 0.0° |
| C11 | C10 | N4 | C12 | 0.3° | 0.4° |
| C10 | C11 | N3 | C13 | 179.9° | 179.7° |
| C11 | C10 | C9 | H10 | 179.5° | 180.0° |
| C11 | N3 | C12 | C13 | 179.9° | 179.7° |
| C11 | N3 | C12 | N4 | 0.5° | 0.3° |
| C11 | N3 | C13 | C14 | 121.9° | 85.3° |
| N3 | C11 | C10 | N4 | 0.0° | 0.2° |
| C11 | N3 | C13 | H12 | 117.6° | 154.6° |
| C11 | N3 | C13 | H13 | 1.3° | 34.7° |
| C11 | N3 | C12 | H11 | 179.6° | 179.7° |
| N3 | C12 | N4 | H11 | 180.0° | 179.9° |
| C12 | N3 | C13 | C14 | 58.0° | 95.0° |
| C12 | N3 | C11 | N2 | 179.2° | 179.9° |
| N3 | C12 | N4 | C10 | 0.5° | 0.4° |
| C12 | N3 | C13 | H12 | 62.6° | 25.0° |
| C12 | N3 | C13 | H13 | 178.5° | 145.0° |
| N4 | C12 | N3 | C13 | 179.7° | 180.0° |
| N3 | C13 | C14 | H12 | 120.6° | 120.0° |
| N3 | C13 | C14 | H13 | 120.5° | 120.0° |
| N3 | C13 | C14 | C15 | 115.0° | 90.0° |
| C13 | N3 | C11 | N2 | 0.7° | 0.4° |
| N3 | C13 | C14 | C27 | 67.1° | 90.1° |
| N3 | C13 | H12 | H13 | 118.3° | 120.0° |
| C13 | N3 | C12 | H11 | 0.3° | 0.1° |
| C13 | C14 | C15 | C27 | 177.9° | 179.9° |
| C13 | C14 | C15 | C16 | 178.8° | 180.0° |
| C13 | C14 | C27 | C25 | 178.5° | 180.0° |
| C14 | C13 | H12 | H13 | 118.3° | 120.0° |
| C13 | C14 | C15 | H14 | 1.2° | 0.3° |
| C13 | C14 | C27 | H27 | 1.6° | 0.0° |
| C14 | C15 | C16 | H14 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.3° | 0.3° |
| C15 | C14 | C27 | C25 | 0.5° | 0.1° |
| C15 | C14 | C13 | H12 | 5.5° | 30.0° |
| C15 | C14 | C13 | H13 | 124.4° | 150.0° |
| C14 | C15 | C16 | H15 | 179.7° | 179.7° |
| C15 | C14 | C27 | H27 | 179.5° | 180.0° |
| C15 | C16 | C17 | H15 | 180.0° | 180.0° |
| C15 | C16 | C17 | O3 | 179.0° | 180.0° |
| C15 | C16 | C17 | C25 | 0.7° | 0.6° |
| C16 | C15 | C14 | C27 | 0.9° | 0.1° |
| C16 | C17 | O3 | C25 | 179.7° | 179.4° |
| C16 | C17 | O3 | C18 | 1.6° | 0.6° |
| C16 | C17 | C25 | O5 | 179.6° | 179.4° |
| C16 | C17 | C25 | C27 | 1.1° | 0.6° |
| C17 | C16 | C15 | H14 | 179.7° | 180.0° |
| C17 | O3 | C18 | C19 | 174.8° | 180.0° |
| O3 | C17 | C25 | O5 | 0.2° | 0.0° |
| O3 | C17 | C25 | C27 | 178.7° | 180.0° |
| O3 | C17 | C16 | H15 | 1.0° | 0.1° |
| C17 | O3 | C18 | H16 | 65.8° | 60.0° |
| C17 | O3 | C18 | H17 | 55.3° | 60.0° |
| O3 | C18 | C19 | H16 | 119.4° | 120.0° |
| O3 | C18 | C19 | H17 | 119.5° | 120.0° |
| O3 | C18 | C19 | C20 | 84.1° | 90.0° |
| C18 | O3 | C17 | C25 | 178.2° | 180.0° |
| O3 | C18 | C19 | C24 | 96.5° | 90.0° |
| O3 | C18 | H16 | H17 | 121.7° | 120.0° |
| C18 | C19 | C20 | C24 | 179.4° | 180.0° |
| C18 | C19 | C20 | N5 | 179.5° | 179.9° |
| C18 | C19 | C24 | C23 | 179.5° | 179.4° |
| C18 | C19 | C20 | H18 | 0.5° | 0.3° |
| C18 | C19 | C24 | H23 | 0.5° | 0.0° |
| C19 | C18 | H16 | H17 | 121.6° | 120.0° |
| C19 | C20 | N5 | H18 | 180.0° | 179.7° |
| C19 | C20 | N5 | C21 | 0.7° | 0.3° |
| C20 | C19 | C24 | C23 | 1.1° | 0.5° |
| C20 | C19 | C24 | H23 | 178.9° | 180.0° |
| C20 | C19 | C18 | H16 | 156.4° | 150.0° |
| C20 | C19 | C18 | H17 | 35.3° | 30.0° |
| C20 | N5 | C21 | O4 | 179.6° | 180.0° |
| C20 | N5 | C21 | C23 | 0.5° | 0.0° |
| N5 | C20 | C19 | C24 | 0.0° | 0.0° |
| N5 | C21 | O4 | C23 | 179.1° | 180.0° |
| N5 | C21 | O4 | C22 | 132.1° | 0.0° |
| N5 | C21 | C23 | C24 | 0.5° | 0.5° |
| C21 | N5 | C20 | H18 | 179.3° | 180.0° |
| N5 | C21 | C23 | H22 | 179.5° | 180.0° |
| O4 | C21 | C23 | C24 | 178.5° | 179.5° |
| C21 | O4 | C22 | H21 | 180.0° | 60.0° |
| C21 | O4 | C22 | H20 | 60.0° | 60.0° |
| C21 | O4 | C22 | H19 | 60.0° | 180.0° |
| O4 | C21 | C23 | H22 | 1.5° | 0.0° |
| C22 | O4 | C21 | C23 | 48.8° | 180.0° |
| O4 | C22 | H21 | H20 | 120.0° | 120.0° |
| O4 | C22 | H21 | H19 | 120.0° | 120.0° |
| O4 | C22 | H20 | H19 | 120.0° | 120.0° |
| C21 | C23 | C24 | H22 | 180.0° | 179.5° |
| C21 | C23 | C24 | C19 | 1.3° | 0.8° |
| C21 | C23 | C24 | H23 | 178.7° | 179.8° |
| C23 | C24 | C19 | H23 | 180.0° | 179.5° |
| C17 | C25 | O5 | C27 | 178.4° | 180.0° |
| C17 | C25 | O5 | C26 | 168.0° | 180.0° |
| C17 | C25 | C27 | C14 | 0.5° | 0.4° |
| C25 | C17 | C16 | H15 | 179.3° | 179.5° |
| C17 | C25 | C27 | H27 | 179.5° | 179.7° |
| O5 | C25 | C27 | C14 | 178.9° | 179.7° |
| C25 | O5 | C26 | H26 | 180.0° | 60.0° |
| C25 | O5 | C26 | H25 | 60.0° | 60.0° |
| C25 | O5 | C26 | H24 | 60.0° | 180.0° |
| O5 | C25 | C27 | H27 | 1.1° | 0.3° |
| C26 | O5 | C25 | C27 | 10.4° | 0.0° |
| O5 | C26 | H26 | H25 | 120.0° | 119.9° |
| O5 | C26 | H26 | H24 | 120.0° | 120.0° |
| O5 | C26 | H25 | H24 | 120.0° | 120.0° |
| C25 | C27 | C14 | H27 | 180.0° | 179.9° |
| N1 | C6 | C3 | C5 | 98.0° | 152.3° |
| N1 | C6 | H7 | H8 | 132.1° | 131.0° |
| C6 | N1 | C2 | H1 | 91.3° | 140.3° |
| C6 | N1 | C2 | H2 | 139.5° | 89.1° |
| C5 | C3 | C4 | H3 | 80.6° | 89.5° |
| C5 | C3 | C4 | H4 | 149.3° | 140.0° |
| C3 | C5 | H5 | H6 | 132.9° | 130.7° |
| C5 | C3 | C6 | H7 | 146.7° | 37.6° |
| C5 | C3 | C6 | H8 | 17.3° | 93.0° |
| C5 | C3 | C2 | H1 | 139.7° | 93.0° |
| C5 | C3 | C2 | H2 | 10.5° | 37.7° |
| N2 | C11 | C10 | N4 | 179.4° | 179.7° |
| C11 | N2 | C8 | H9 | 179.7° | 179.9° |
| C10 | N4 | C12 | H11 | 179.6° | 179.5° |
| N4 | C10 | C9 | H10 | 0.7° | 0.3° |
| C27 | C14 | C13 | H12 | 172.4° | 149.9° |
| C27 | C14 | C13 | H13 | 53.5° | 29.9° |
| C27 | C14 | C15 | H14 | 179.1° | 179.8° |
| C24 | C19 | C20 | H18 | 179.9° | 179.7° |
| C24 | C19 | C18 | H16 | 23.0° | 30.0° |
| C24 | C19 | C18 | H17 | 144.1° | 150.0° |
| C19 | C24 | C23 | H22 | 178.7° | 179.7° |
| H14 | C15 | C16 | H15 | 0.3° | 0.0° |
| H21 | C22 | H20 | H19 | 120.0° | 120.0° |
| H23 | C24 | C23 | H22 | 1.3° | 0.3° |
| H26 | C26 | H25 | H24 | 120.0° | 120.1° |
