A1E6R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C2 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.49Å | |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| N3 | C8 | doub | 1.31Å | 1.32Å | Aromatic |
| N3 | N2 | sing | 1.29Å | 1.36Å | Aromatic |
| C8 | N1 | sing | 1.35Å | 1.33Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | C9 | sing | 1.37Å | 1.36Å | Aromatic |
| N2 | C9 | doub | 1.32Å | 1.32Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.49Å | |
| C10 | N4 | sing | 1.35Å | 1.36Å | |
| C10 | O1 | doub | 1.22Å | 1.27Å | |
| N4 | C11 | sing | 1.47Å | 1.46Å | |
| O3 | C15 | doub | 1.21Å | 1.25Å | |
| C11 | C15 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C15 | N5 | sing | 1.35Å | 1.30Å | |
| C16 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C14 | sing | 1.40Å | 1.43Å | |
| O4 | C21 | doub | 1.22Å | 1.23Å | |
| C20 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | O2 | sing | 1.42Å | 1.44Å | |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.50Å | |
| C21 | N6 | sing | 1.35Å | 1.33Å | |
| C23 | C22 | sing | 1.53Å | 1.50Å | |
| C23 | C25 | sing | 1.53Å | 1.49Å | |
| C23 | C24 | sing | 1.53Å | 1.49Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C22 | N6 | sing | 1.47Å | 1.46Å | |
| C25 | C24 | sing | 1.53Å | 1.49Å | |
| C13 | O2 | sing | 1.36Å | 1.37Å | |
| C13 | C17 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.08Å | 1.08Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C7 | C8 | 112.8° | 109.5° |
| C7 | C2 | C1 | 121.2° | 120.0° |
| C7 | C2 | C3 | 119.5° | 120.0° |
| C2 | C7 | H5 | 108.6° | 109.5° |
| C2 | C7 | H6 | 108.6° | 109.4° |
| C7 | C8 | N3 | 125.7° | 126.1° |
| C7 | C8 | N1 | 125.6° | 126.2° |
| C8 | C7 | H5 | 108.7° | 109.5° |
| C8 | C7 | H6 | 108.6° | 109.5° |
| C1 | C2 | C3 | 119.3° | 120.0° |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | H11 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.8° | 120.0° |
| C2 | C3 | H10 | 119.6° | 120.0° |
| C8 | N3 | N2 | 108.8° | 109.9° |
| N3 | C8 | N1 | 108.6° | 107.7° |
| N3 | N2 | C9 | 106.3° | 109.5° |
| C8 | N1 | C9 | 106.8° | 106.0° |
| C8 | N1 | H9 | 126.6° | 127.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C1 | C6 | H3 | 119.9° | 120.0° |
| C6 | C1 | H11 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.6° | 119.9° |
| C3 | C4 | H1 | 120.2° | 120.0° |
| C4 | C3 | H10 | 119.6° | 120.0° |
| N1 | C9 | N2 | 109.3° | 106.9° |
| N1 | C9 | C10 | 127.4° | 126.6° |
| C9 | N1 | H9 | 126.6° | 127.0° |
| N2 | C9 | C10 | 123.1° | 126.5° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | H2 | 119.9° | 120.0° |
| C5 | C6 | H3 | 119.9° | 120.0° |
| C5 | C4 | H1 | 120.2° | 120.0° |
| C4 | C5 | H2 | 119.8° | 119.9° |
| C9 | C10 | N4 | 112.3° | 120.0° |
| C9 | C10 | O1 | 122.1° | 120.0° |
| N4 | C10 | O1 | 125.4° | 120.0° |
| C10 | N4 | C11 | 118.3° | 120.0° |
| C10 | N4 | H25 | 120.8° | 120.0° |
| N4 | C11 | C15 | 113.5° | 109.4° |
| N4 | C11 | C12 | 112.6° | 109.4° |
| N4 | C11 | H4 | 109.2° | 109.3° |
| C11 | N4 | H25 | 120.9° | 120.0° |
| O3 | C15 | C11 | 120.5° | 120.1° |
| O3 | C15 | N5 | 126.0° | 120.2° |
| C15 | C11 | C12 | 105.0° | 110.1° |
| C11 | C15 | N5 | 113.5° | 119.7° |
| C15 | C11 | H4 | 108.4° | 109.4° |
| C11 | C12 | O2 | 102.5° | 110.5° |
| C12 | C11 | H4 | 107.9° | 109.4° |
| C11 | C12 | H7 | 111.2° | 109.3° |
| C11 | C12 | H8 | 111.2° | 109.3° |
| C15 | N5 | C16 | 119.9° | 120.3° |
| C15 | N5 | C14 | 121.3° | 119.3° |
| C16 | N5 | C14 | 118.3° | 120.3° |
| N5 | C16 | H12 | 109.5° | 109.5° |
| N5 | C16 | H13 | 109.5° | 109.4° |
| N5 | C16 | H14 | 109.5° | 109.4° |
| N5 | C14 | C20 | 121.7° | 120.5° |
| N5 | C14 | C13 | 118.0° | 119.3° |
| O4 | C21 | C19 | 119.8° | 120.0° |
| O4 | C21 | N6 | 122.4° | 120.0° |
| C14 | C20 | C19 | 119.3° | 119.7° |
| C20 | C14 | C13 | 120.1° | 120.2° |
| C14 | C20 | H17 | 120.3° | 120.2° |
| C20 | C19 | C21 | 116.8° | 120.1° |
| C20 | C19 | C18 | 120.1° | 119.8° |
| C19 | C20 | H17 | 120.3° | 120.1° |
| C12 | O2 | C13 | 117.1° | 117.3° |
| O2 | C12 | H7 | 111.1° | 109.2° |
| O2 | C12 | H8 | 111.2° | 109.4° |
| C14 | C13 | O2 | 114.2° | 119.6° |
| C14 | C13 | C17 | 120.0° | 120.0° |
| C19 | C21 | N6 | 117.3° | 120.0° |
| C21 | C19 | C18 | 123.1° | 120.1° |
| C21 | N6 | C22 | 122.5° | 120.0° |
| C21 | N6 | H26 | 118.7° | 120.0° |
| C22 | C23 | C25 | 119.0° | 117.5° |
| C22 | C23 | C24 | 119.3° | 117.5° |
| C23 | C22 | N6 | 110.6° | 109.4° |
| C23 | C22 | H18 | 109.2° | 109.5° |
| C23 | C22 | H19 | 109.2° | 109.4° |
| C22 | C23 | H20 | 115.6° | 115.6° |
| C25 | C23 | C24 | 60.1° | 60.0° |
| C23 | C25 | C24 | 60.0° | 60.0° |
| C25 | C23 | H20 | 115.8° | 117.5° |
| C23 | C25 | H23 | 120.0° | 117.5° |
| C23 | C25 | H24 | 120.0° | 117.5° |
| C23 | C24 | C25 | 59.9° | 60.0° |
| C24 | C23 | H20 | 115.8° | 117.5° |
| C23 | C24 | H21 | 120.0° | 117.5° |
| C23 | C24 | H22 | 120.0° | 117.5° |
| C19 | C18 | C17 | 120.8° | 120.2° |
| C19 | C18 | H16 | 119.6° | 119.9° |
| N6 | C22 | H18 | 109.2° | 109.5° |
| N6 | C22 | H19 | 109.2° | 109.5° |
| C22 | N6 | H26 | 118.7° | 120.1° |
| C25 | C24 | H21 | 120.0° | 117.5° |
| C25 | C24 | H22 | 120.0° | 117.5° |
| C24 | C25 | H23 | 120.0° | 117.5° |
| C24 | C25 | H24 | 120.0° | 117.5° |
| O2 | C13 | C17 | 125.8° | 120.3° |
| C13 | C17 | C18 | 119.5° | 120.1° |
| C13 | C17 | H15 | 120.2° | 119.9° |
| C18 | C17 | H15 | 120.2° | 120.0° |
| C17 | C18 | H16 | 119.6° | 119.9° |
| H5 | C7 | H6 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.1° |
| H12 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H18 | C22 | H19 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 115.6° |
| H23 | C25 | H24 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C7 | C8 | H5 | 120.5° | 120.0° |
| C2 | C7 | C8 | H6 | 120.5° | 120.0° |
| C7 | C2 | C1 | C3 | 177.8° | 179.1° |
| C2 | C7 | C8 | N3 | 127.4° | 55.3° |
| C2 | C7 | C8 | N1 | 55.2° | 125.0° |
| C7 | C2 | C1 | C6 | 179.2° | 180.0° |
| C7 | C2 | C3 | C4 | 179.3° | 179.7° |
| C2 | C7 | H5 | H6 | 118.5° | 120.0° |
| C7 | C2 | C3 | H10 | 0.7° | 0.3° |
| C7 | C2 | C1 | H11 | 0.8° | 0.5° |
| C8 | C7 | C2 | C1 | 91.9° | 90.0° |
| C8 | C7 | C2 | C3 | 90.3° | 91.0° |
| C7 | C8 | N3 | N1 | 177.8° | 179.8° |
| C7 | C8 | N3 | N2 | 177.2° | 180.0° |
| C7 | C8 | N1 | C9 | 175.7° | 180.0° |
| C8 | C7 | H5 | H6 | 118.5° | 120.0° |
| C7 | C8 | N1 | H9 | 4.2° | 0.0° |
| C2 | C1 | C6 | H11 | 180.0° | 179.5° |
| C1 | C2 | C3 | C4 | 1.4° | 0.6° |
| C2 | C1 | C6 | C5 | 0.7° | 0.6° |
| C2 | C1 | C6 | H3 | 179.3° | 179.4° |
| C1 | C2 | C7 | H5 | 147.6° | 30.0° |
| C1 | C2 | C7 | H6 | 28.6° | 150.0° |
| C1 | C2 | C3 | H10 | 178.6° | 179.4° |
| C3 | C2 | C1 | C6 | 1.3° | 0.9° |
| C2 | C3 | C4 | H10 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | H1 | 179.2° | 179.7° |
| C3 | C2 | C7 | H5 | 30.3° | 149.0° |
| C3 | C2 | C7 | H6 | 149.3° | 29.0° |
| C3 | C2 | C1 | H11 | 178.7° | 179.6° |
| N3 | C8 | N1 | C9 | 2.1° | 0.2° |
| C8 | N3 | N2 | C9 | 1.1° | 0.1° |
| N3 | C8 | C7 | H5 | 6.9° | 64.7° |
| N3 | C8 | C7 | H6 | 112.2° | 175.3° |
| N3 | C8 | N1 | H9 | 178.0° | 179.8° |
| N2 | N3 | C8 | N1 | 0.6° | 0.2° |
| N3 | N2 | C9 | N1 | 2.4° | 0.0° |
| N3 | N2 | C9 | C10 | 177.9° | 179.9° |
| C8 | N1 | C9 | H9 | 180.0° | 180.0° |
| C8 | N1 | C9 | N2 | 2.8° | 0.2° |
| C8 | N1 | C9 | C10 | 178.1° | 180.0° |
| N1 | C8 | C7 | H5 | 175.7° | 115.0° |
| N1 | C8 | C7 | H6 | 65.3° | 5.0° |
| C1 | C6 | C5 | H3 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H2 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C3 | C4 | C5 | H2 | 179.8° | 179.7° |
| N1 | C9 | N2 | C10 | 175.5° | 179.8° |
| N1 | C9 | C10 | N4 | 166.5° | 180.0° |
| N1 | C9 | C10 | O1 | 8.2° | 0.0° |
| N2 | C9 | C10 | N4 | 18.8° | 0.2° |
| N2 | C9 | C10 | O1 | 166.5° | 179.8° |
| N2 | C9 | N1 | H9 | 177.2° | 179.9° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | H1 | 179.8° | 180.0° |
| C5 | C6 | C1 | H11 | 179.3° | 179.9° |
| C4 | C5 | C6 | H3 | 179.9° | 180.0° |
| C5 | C4 | C3 | H10 | 179.2° | 180.0° |
| C9 | C10 | N4 | O1 | 174.5° | 180.0° |
| C9 | C10 | N4 | C11 | 162.6° | 180.0° |
| C10 | C9 | N1 | H9 | 2.0° | 0.0° |
| C9 | C10 | N4 | H25 | 17.4° | 0.1° |
| C10 | N4 | C11 | H25 | 180.0° | 180.0° |
| C10 | N4 | C11 | C15 | 171.3° | 85.0° |
| C10 | N4 | C11 | C12 | 52.2° | 154.4° |
| C10 | N4 | C11 | H4 | 67.6° | 34.7° |
| O1 | C10 | N4 | C11 | 22.9° | 0.0° |
| O1 | C10 | N4 | H25 | 157.1° | 180.0° |
| N4 | C11 | C15 | O3 | 32.6° | 14.6° |
| N4 | C11 | C15 | C12 | 123.4° | 120.2° |
| N4 | C11 | C15 | H4 | 121.6° | 119.6° |
| N4 | C11 | C12 | H4 | 120.6° | 119.6° |
| N4 | C11 | C15 | N5 | 146.7° | 165.4° |
| N4 | C11 | C12 | O2 | 173.7° | 164.2° |
| N4 | C11 | C12 | H7 | 67.4° | 75.6° |
| N4 | C11 | C12 | H8 | 54.8° | 43.8° |
| O3 | C15 | C11 | N5 | 179.3° | 180.0° |
| O3 | C15 | C11 | C12 | 90.7° | 105.5° |
| O3 | C15 | N5 | C16 | 6.2° | 3.6° |
| O3 | C15 | N5 | C14 | 166.1° | 176.4° |
| O3 | C15 | C11 | H4 | 154.2° | 134.2° |
| C15 | C11 | C12 | H4 | 115.4° | 120.2° |
| C11 | C15 | N5 | C16 | 173.1° | 176.4° |
| C11 | C15 | N5 | C14 | 14.6° | 3.6° |
| C15 | C11 | C12 | O2 | 49.7° | 44.0° |
| C15 | C11 | C12 | H7 | 168.6° | 164.3° |
| C15 | C11 | C12 | H8 | 69.2° | 76.4° |
| C15 | C11 | N4 | H25 | 8.7° | 95.0° |
| C12 | C11 | C15 | N5 | 89.9° | 74.4° |
| C11 | C12 | O2 | H7 | 118.9° | 120.2° |
| C11 | C12 | O2 | H8 | 118.9° | 120.4° |
| C11 | C12 | O2 | C13 | 49.7° | 43.7° |
| C11 | C12 | H7 | H8 | 123.2° | 119.4° |
| C12 | C11 | N4 | H25 | 127.8° | 25.6° |
| C15 | N5 | C16 | C14 | 172.5° | 180.0° |
| C15 | N5 | C14 | C20 | 132.0° | 131.6° |
| C15 | N5 | C14 | C13 | 42.7° | 48.7° |
| N5 | C15 | C11 | H4 | 25.1° | 45.8° |
| C15 | N5 | C16 | H12 | 180.0° | 0.0° |
| C15 | N5 | C16 | H13 | 60.0° | 120.0° |
| C15 | N5 | C16 | H14 | 60.0° | 120.0° |
| C16 | N5 | C14 | C20 | 55.6° | 48.4° |
| C16 | N5 | C14 | C13 | 129.7° | 131.2° |
| N5 | C16 | H12 | H13 | 120.0° | 120.0° |
| N5 | C16 | H12 | H14 | 120.0° | 120.0° |
| N5 | C16 | H13 | H14 | 120.0° | 119.9° |
| N5 | C14 | C20 | C13 | 174.6° | 179.7° |
| N5 | C14 | C20 | C19 | 177.3° | 179.6° |
| N5 | C14 | C13 | O2 | 2.5° | 0.7° |
| N5 | C14 | C13 | C17 | 176.9° | 179.5° |
| C14 | N5 | C16 | H12 | 7.5° | 180.0° |
| C14 | N5 | C16 | H13 | 112.5° | 60.0° |
| C14 | N5 | C16 | H14 | 127.5° | 60.0° |
| N5 | C14 | C20 | H17 | 2.7° | 0.5° |
| O4 | C21 | C19 | C20 | 15.7° | 0.1° |
| O4 | C21 | C19 | N6 | 172.4° | 179.9° |
| O4 | C21 | C19 | C18 | 162.1° | 180.0° |
| O4 | C21 | N6 | C22 | 27.1° | 0.1° |
| O4 | C21 | N6 | H26 | 152.9° | 180.0° |
| C14 | C20 | C19 | H17 | 180.0° | 180.0° |
| C14 | C20 | C19 | C21 | 179.8° | 179.9° |
| C14 | C20 | C19 | C18 | 1.9° | 0.0° |
| C20 | C14 | C13 | O2 | 177.3° | 179.6° |
| C20 | C14 | C13 | C17 | 2.1° | 0.2° |
| C19 | C20 | C14 | C13 | 2.8° | 0.1° |
| C20 | C19 | C21 | C18 | 177.8° | 179.9° |
| C20 | C19 | C21 | N6 | 171.9° | 180.0° |
| C20 | C19 | C18 | C17 | 0.4° | 0.0° |
| C20 | C19 | C18 | H16 | 179.6° | 180.0° |
| C12 | O2 | C13 | C14 | 84.9° | 75.1° |
| C12 | O2 | C13 | C17 | 94.4° | 104.7° |
| O2 | C12 | C11 | H4 | 65.7° | 76.2° |
| O2 | C12 | H7 | H8 | 123.2° | 119.6° |
| C14 | C13 | O2 | C17 | 179.3° | 179.8° |
| C14 | C13 | C17 | C18 | 0.5° | 0.2° |
| C14 | C13 | C17 | H15 | 179.5° | 179.9° |
| C13 | C14 | C20 | H17 | 177.2° | 179.8° |
| C19 | C21 | N6 | C22 | 145.1° | 180.0° |
| C21 | C19 | C18 | C17 | 178.1° | 179.9° |
| C21 | C19 | C18 | H16 | 1.9° | 0.1° |
| C21 | C19 | C20 | H17 | 0.3° | 0.0° |
| C19 | C21 | N6 | H26 | 34.9° | 0.1° |
| C21 | N6 | C22 | C23 | 71.1° | 180.0° |
| N6 | C21 | C19 | C18 | 10.3° | 0.1° |
| C21 | N6 | C22 | H26 | 180.0° | 180.0° |
| C21 | N6 | C22 | H18 | 168.7° | 60.0° |
| C21 | N6 | C22 | H19 | 49.1° | 60.1° |
| C22 | C23 | C25 | C24 | 109.1° | 107.5° |
| C22 | C23 | C25 | H20 | 144.7° | 145.0° |
| C22 | C23 | C24 | H20 | 145.3° | 145.0° |
| C23 | C22 | N6 | H18 | 120.2° | 120.0° |
| C23 | C22 | N6 | H19 | 120.2° | 119.9° |
| C23 | C22 | H18 | H19 | 119.5° | 120.0° |
| C22 | C23 | C24 | H21 | 1.0° | 0.0° |
| C22 | C23 | C24 | H22 | 142.1° | 145.0° |
| C22 | C23 | C25 | H23 | 141.4° | 145.0° |
| C22 | C23 | C25 | H24 | 0.4° | 0.0° |
| C23 | C22 | N6 | H26 | 108.9° | 0.0° |
| C25 | C23 | C24 | H20 | 106.2° | 107.5° |
| C25 | C23 | C22 | N6 | 137.4° | 175.0° |
| C23 | C25 | C24 | H23 | 109.5° | 107.5° |
| C23 | C25 | C24 | H24 | 109.5° | 107.4° |
| C25 | C23 | C22 | H18 | 17.2° | 65.0° |
| C25 | C23 | C22 | H19 | 102.4° | 55.1° |
| C25 | C23 | C24 | H21 | 109.5° | 107.5° |
| C25 | C23 | C24 | H22 | 109.4° | 107.5° |
| C23 | C25 | H23 | H24 | 144.7° | 145.6° |
| C24 | C23 | C22 | N6 | 67.4° | 116.4° |
| C24 | C23 | C22 | H18 | 52.8° | 3.6° |
| C24 | C23 | C22 | H19 | 172.4° | 123.7° |
| C23 | C24 | H21 | H22 | 144.8° | 145.7° |
| C19 | C18 | C17 | C13 | 0.3° | 0.1° |
| C19 | C18 | C17 | H16 | 180.0° | 180.0° |
| C19 | C18 | C17 | H15 | 179.7° | 180.0° |
| C18 | C19 | C20 | H17 | 178.1° | 180.0° |
| N6 | C22 | H18 | H19 | 119.5° | 120.0° |
| N6 | C22 | C23 | H20 | 77.9° | 29.3° |
| C25 | C24 | H21 | H22 | 144.8° | 145.7° |
| C24 | C25 | H23 | H24 | 144.7° | 145.7° |
| O2 | C13 | C17 | C18 | 178.8° | 179.6° |
| C13 | O2 | C12 | H7 | 69.2° | 76.5° |
| C13 | O2 | C12 | H8 | 168.6° | 164.1° |
| O2 | C13 | C17 | H15 | 1.2° | 0.3° |
| C13 | C17 | C18 | H15 | 180.0° | 180.0° |
| C13 | C17 | C18 | H16 | 179.7° | 180.0° |
| H1 | C4 | C5 | H2 | 0.2° | 0.1° |
| H1 | C4 | C3 | H10 | 0.8° | 0.3° |
| H2 | C5 | C6 | H3 | 0.1° | 0.0° |
| H3 | C6 | C1 | H11 | 0.7° | 0.1° |
| H4 | C11 | C12 | H7 | 53.2° | 44.1° |
| H4 | C11 | C12 | H8 | 175.4° | 163.4° |
| H4 | C11 | N4 | H25 | 112.4° | 145.3° |
| H12 | C16 | H13 | H14 | 120.0° | 120.1° |
| H15 | C17 | C18 | H16 | 0.3° | 0.0° |
| H18 | C22 | C23 | H20 | 161.9° | 149.3° |
| H18 | C22 | N6 | H26 | 11.3° | 120.0° |
| H19 | C22 | C23 | H20 | 42.3° | 90.6° |
| H19 | C22 | N6 | H26 | 130.9° | 120.0° |
| H20 | C23 | C24 | H21 | 144.3° | 145.0° |
| H20 | C23 | C24 | H22 | 3.2° | 0.0° |
| H20 | C23 | C25 | H23 | 3.3° | 0.0° |
| H20 | C23 | C25 | H24 | 144.3° | 145.0° |
| H21 | C24 | C25 | H23 | 141.1° | 145.1° |
| H21 | C24 | C25 | H24 | 0.0° | 0.0° |
| H22 | C24 | C25 | H23 | 0.0° | 0.0° |
| H22 | C24 | C25 | H24 | 141.0° | 145.1° |
