A1B8P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C20 | sing | 1.74Å | 1.76Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.49Å | |
| C23 | C25 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C22 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.47Å | |
| C5 | O3 | sing | 1.34Å | 1.36Å | Aromatic |
| C5 | N1 | doub | 1.30Å | 1.28Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C6 | sing | 1.34Å | 1.37Å | Aromatic |
| N1 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C18 | C9 | sing | 1.51Å | 1.52Å | |
| O4 | C8 | doub | 1.21Å | 1.23Å | |
| C6 | C4 | doub | 1.36Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C4 | C3 | sing | 1.47Å | 1.47Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C9 | N3 | sing | 1.47Å | 1.44Å | |
| C8 | N2 | sing | 1.35Å | 1.33Å | |
| C7 | N2 | sing | 1.47Å | 1.45Å | |
| O1 | C3 | sing | 1.35Å | 1.34Å | |
| O1 | C2 | sing | 1.45Å | 1.46Å | |
| N3 | C10 | sing | 1.40Å | 1.39Å | |
| C3 | O2 | doub | 1.22Å | 1.21Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C10 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C16 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C17 | sing | 1.48Å | 1.47Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| N4 | H23 | sing | 1.01Å | 1.00Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C20 | C21 | 118.1° | 120.0° |
| CL1 | C20 | C19 | 121.2° | 120.0° |
| C20 | C21 | C22 | 120.4° | 120.0° |
| C21 | C20 | C19 | 120.6° | 120.0° |
| C20 | C21 | H8 | 119.8° | 120.0° |
| C21 | C22 | C23 | 126.0° | 120.0° |
| C21 | C22 | C26 | 118.4° | 120.0° |
| C22 | C21 | H8 | 119.8° | 120.0° |
| C20 | C19 | C18 | 119.5° | 120.0° |
| C20 | C19 | H25 | 120.2° | 120.0° |
| C22 | C23 | C25 | 122.1° | 117.5° |
| C22 | C23 | C24 | 120.4° | 117.4° |
| C23 | C22 | C26 | 115.5° | 119.9° |
| C22 | C23 | H26 | 115.0° | 115.6° |
| C25 | C23 | C24 | 58.3° | 60.0° |
| C23 | C25 | C24 | 60.8° | 60.0° |
| C25 | C23 | H26 | 114.7° | 117.5° |
| C23 | C25 | H27 | 119.8° | 117.4° |
| C23 | C25 | H28 | 119.9° | 117.5° |
| C23 | C24 | C25 | 60.9° | 60.0° |
| C23 | C24 | H9 | 119.8° | 117.5° |
| C23 | C24 | H10 | 119.8° | 117.5° |
| C24 | C23 | H26 | 114.7° | 117.5° |
| C22 | C26 | C18 | 122.2° | 120.0° |
| C22 | C26 | H11 | 118.9° | 120.0° |
| C25 | C24 | H9 | 119.8° | 117.5° |
| C25 | C24 | H10 | 119.8° | 117.5° |
| C24 | C25 | H27 | 119.9° | 117.5° |
| C24 | C25 | H28 | 119.9° | 117.5° |
| O3 | C5 | N1 | 111.6° | 109.3° |
| C5 | O3 | C6 | 106.1° | 108.2° |
| O3 | C5 | H2 | 124.2° | 125.3° |
| C5 | N1 | C4 | 107.3° | 108.5° |
| N1 | C5 | H2 | 124.2° | 125.4° |
| C19 | C18 | C26 | 118.9° | 120.0° |
| C19 | C18 | C9 | 129.3° | 120.0° |
| C18 | C19 | H25 | 120.2° | 120.1° |
| C26 | C18 | C9 | 111.8° | 120.0° |
| C18 | C26 | H11 | 118.9° | 120.0° |
| O3 | C6 | C4 | 107.5° | 107.0° |
| O3 | C6 | C7 | 119.4° | 126.5° |
| N1 | C4 | C6 | 107.3° | 107.1° |
| N1 | C4 | C3 | 120.5° | 126.5° |
| C18 | C9 | C8 | 111.0° | 109.5° |
| C18 | C9 | N3 | 114.3° | 109.5° |
| C18 | C9 | H18 | 104.0° | 109.5° |
| O4 | C8 | C9 | 122.8° | 120.0° |
| O4 | C8 | N2 | 124.1° | 120.0° |
| C4 | C6 | C7 | 133.2° | 126.5° |
| C6 | C4 | C3 | 131.9° | 126.5° |
| C6 | C7 | N2 | 112.7° | 109.5° |
| C6 | C7 | H3 | 108.7° | 109.4° |
| C6 | C7 | H4 | 108.7° | 109.5° |
| C4 | C3 | O1 | 111.6° | 120.0° |
| C4 | C3 | O2 | 124.2° | 120.0° |
| C8 | C9 | N3 | 116.9° | 109.5° |
| C9 | C8 | N2 | 112.9° | 120.0° |
| C8 | C9 | H18 | 104.0° | 109.4° |
| C9 | N3 | C10 | 121.4° | 120.0° |
| C9 | N3 | H1 | 106.4° | 120.0° |
| N3 | C9 | H18 | 104.9° | 109.5° |
| C8 | N2 | C7 | 122.3° | 120.0° |
| C8 | N2 | H17 | 118.8° | 120.0° |
| N2 | C7 | H3 | 108.7° | 109.5° |
| N2 | C7 | H4 | 108.7° | 109.5° |
| C7 | N2 | H17 | 118.8° | 120.0° |
| C3 | O1 | C2 | 116.9° | 117.0° |
| O1 | C3 | O2 | 124.1° | 120.0° |
| O1 | C2 | C1 | 109.1° | 109.5° |
| O1 | C2 | H15 | 109.6° | 109.5° |
| O1 | C2 | H16 | 109.6° | 109.5° |
| N3 | C10 | C15 | 118.7° | 120.1° |
| N3 | C10 | C11 | 120.1° | 120.1° |
| C10 | N3 | H1 | 106.4° | 120.0° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C1 | C2 | H15 | 109.6° | 109.4° |
| C1 | C2 | H16 | 109.6° | 109.5° |
| C15 | C10 | C11 | 120.5° | 119.8° |
| C10 | C15 | C14 | 118.7° | 119.9° |
| C10 | C15 | H5 | 120.6° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H19 | 120.0° | 120.0° |
| C15 | C14 | C13 | 120.7° | 120.1° |
| C15 | C14 | C16 | 129.1° | 131.7° |
| C14 | C15 | H5 | 120.6° | 120.0° |
| C11 | C12 | C13 | 119.3° | 120.1° |
| C12 | C11 | H19 | 120.0° | 120.1° |
| C11 | C12 | H20 | 120.4° | 119.9° |
| C13 | C14 | C16 | 110.2° | 108.3° |
| C14 | C13 | C12 | 120.6° | 120.1° |
| C14 | C13 | C17 | 109.7° | 108.2° |
| C14 | C16 | N4 | 102.3° | 105.7° |
| C14 | C16 | H21 | 111.3° | 110.2° |
| C14 | C16 | H22 | 111.2° | 110.2° |
| C12 | C13 | C17 | 129.4° | 131.7° |
| C13 | C12 | H20 | 120.4° | 119.9° |
| C13 | C17 | N4 | 102.0° | 105.7° |
| C13 | C17 | H6 | 111.3° | 110.2° |
| C13 | C17 | H7 | 111.3° | 110.2° |
| C16 | N4 | C17 | 110.0° | 103.9° |
| N4 | C16 | H21 | 111.2° | 110.2° |
| N4 | C16 | H22 | 111.2° | 110.2° |
| C16 | N4 | H23 | 109.4° | 111.0° |
| N4 | C17 | H6 | 111.3° | 109.9° |
| N4 | C17 | H7 | 111.3° | 110.5° |
| C17 | N4 | H23 | 109.3° | 111.0° |
| H3 | C7 | H4 | 109.5° | 109.5° |
| H6 | C17 | H7 | 109.5° | 110.2° |
| H9 | C24 | H10 | 109.5° | 115.6° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.4° | 109.4° |
| H13 | C1 | H14 | 109.5° | 109.4° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.4° | 110.3° |
| H27 | C25 | H28 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C20 | C21 | C19 | 175.6° | 179.7° |
| CL1 | C20 | C21 | C22 | 176.9° | 179.7° |
| CL1 | C20 | C19 | C18 | 176.9° | 179.7° |
| CL1 | C20 | C21 | H8 | 3.1° | 0.4° |
| CL1 | C20 | C19 | H25 | 3.0° | 0.3° |
| C20 | C21 | C22 | H8 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 177.6° | 179.9° |
| C20 | C21 | C22 | C26 | 1.3° | 0.0° |
| C21 | C20 | C19 | C18 | 1.5° | 0.1° |
| C21 | C20 | C19 | H25 | 178.5° | 180.0° |
| C22 | C21 | C20 | C19 | 1.4° | 0.1° |
| C21 | C22 | C23 | C26 | 176.4° | 180.0° |
| C21 | C22 | C23 | C25 | 159.2° | 59.9° |
| C21 | C22 | C23 | C24 | 131.3° | 8.6° |
| C21 | C22 | C26 | C18 | 1.3° | 0.0° |
| C21 | C22 | C26 | H11 | 178.7° | 180.0° |
| C21 | C22 | C23 | H26 | 12.6° | 154.3° |
| C20 | C19 | C18 | H25 | 180.0° | 180.0° |
| C20 | C19 | C18 | C26 | 1.5° | 0.0° |
| C20 | C19 | C18 | C9 | 175.7° | 180.0° |
| C19 | C20 | C21 | H8 | 178.6° | 179.9° |
| C22 | C23 | C25 | C24 | 108.4° | 107.4° |
| C22 | C23 | C25 | H26 | 146.7° | 145.1° |
| C22 | C23 | C24 | H26 | 144.0° | 145.0° |
| C23 | C22 | C26 | C18 | 178.0° | 180.0° |
| C23 | C22 | C21 | H8 | 2.4° | 0.1° |
| C22 | C23 | C24 | H9 | 139.1° | 145.0° |
| C22 | C23 | C24 | H10 | 1.5° | 0.0° |
| C23 | C22 | C26 | H11 | 2.0° | 0.1° |
| C22 | C23 | C25 | H27 | 1.2° | 145.0° |
| C22 | C23 | C25 | H28 | 141.9° | 0.1° |
| C25 | C23 | C24 | H26 | 104.8° | 107.5° |
| C25 | C23 | C22 | C26 | 24.4° | 120.1° |
| C23 | C25 | C24 | H27 | 109.6° | 107.4° |
| C23 | C25 | C24 | H28 | 109.6° | 107.5° |
| C25 | C23 | C24 | H9 | 109.7° | 107.5° |
| C25 | C23 | C24 | H10 | 109.7° | 107.5° |
| C23 | C25 | H27 | H28 | 144.3° | 145.6° |
| C24 | C23 | C22 | C26 | 45.1° | 171.3° |
| C23 | C24 | H9 | H10 | 144.3° | 145.7° |
| C22 | C26 | C18 | C19 | 1.5° | 0.0° |
| C22 | C26 | C18 | H11 | 180.0° | 180.0° |
| C22 | C26 | C18 | C9 | 176.2° | 179.9° |
| C26 | C22 | C21 | H8 | 178.7° | 179.9° |
| C26 | C22 | C23 | H26 | 171.0° | 25.7° |
| C25 | C24 | H9 | H10 | 144.2° | 145.6° |
| C24 | C25 | H27 | H28 | 144.4° | 145.8° |
| O3 | C5 | N1 | H2 | 180.0° | 180.0° |
| O3 | C5 | N1 | C4 | 3.6° | 0.0° |
| C5 | O3 | C6 | C4 | 0.9° | 0.0° |
| C5 | O3 | C6 | C7 | 179.4° | 180.0° |
| N1 | C5 | O3 | C6 | 2.9° | 0.0° |
| C5 | N1 | C4 | C6 | 3.0° | 0.0° |
| C5 | N1 | C4 | C3 | 177.9° | 179.9° |
| C19 | C18 | C26 | C9 | 177.7° | 179.9° |
| C19 | C18 | C9 | C8 | 76.5° | 80.1° |
| C19 | C18 | C9 | N3 | 58.4° | 39.9° |
| C19 | C18 | C26 | H11 | 178.5° | 180.0° |
| C19 | C18 | C9 | H18 | 172.2° | 160.0° |
| C26 | C18 | C9 | C8 | 100.9° | 100.0° |
| C26 | C18 | C9 | N3 | 124.3° | 140.0° |
| C26 | C18 | C9 | H18 | 10.4° | 19.9° |
| C26 | C18 | C19 | H25 | 178.4° | 180.0° |
| O3 | C6 | C4 | N1 | 1.2° | 0.0° |
| O3 | C6 | C4 | C7 | 179.6° | 179.9° |
| O3 | C6 | C4 | C3 | 175.3° | 179.9° |
| O3 | C6 | C7 | N2 | 81.3° | 89.9° |
| C6 | O3 | C5 | H2 | 177.1° | 180.0° |
| O3 | C6 | C7 | H3 | 39.2° | 30.1° |
| O3 | C6 | C7 | H4 | 158.3° | 150.0° |
| N1 | C4 | C6 | C3 | 174.1° | 179.9° |
| N1 | C4 | C6 | C7 | 178.4° | 180.0° |
| N1 | C4 | C3 | O1 | 25.1° | 0.2° |
| N1 | C4 | C3 | O2 | 157.9° | 180.0° |
| C4 | N1 | C5 | H2 | 176.3° | 180.0° |
| C18 | C9 | C8 | O4 | 46.2° | 120.0° |
| C18 | C9 | C8 | N3 | 133.6° | 120.0° |
| C18 | C9 | C8 | H18 | 111.3° | 120.0° |
| C18 | C9 | N3 | H18 | 113.3° | 120.0° |
| C18 | C9 | C8 | N2 | 129.2° | 59.9° |
| C18 | C9 | N3 | C10 | 172.4° | 85.0° |
| C18 | C9 | N3 | H1 | 50.8° | 95.0° |
| C9 | C18 | C26 | H11 | 3.8° | 0.0° |
| C9 | C18 | C19 | H25 | 4.4° | 0.1° |
| O4 | C8 | C9 | N2 | 175.5° | 179.9° |
| O4 | C8 | C9 | N3 | 87.4° | 0.0° |
| O4 | C8 | N2 | C7 | 42.3° | 0.0° |
| O4 | C8 | N2 | H17 | 137.7° | 180.0° |
| O4 | C8 | C9 | H18 | 157.6° | 120.0° |
| C4 | C6 | C7 | N2 | 98.3° | 90.0° |
| C6 | C4 | C3 | O1 | 148.4° | 180.0° |
| C6 | C4 | C3 | O2 | 28.6° | 0.1° |
| C4 | C6 | C7 | H3 | 141.2° | 150.0° |
| C4 | C6 | C7 | H4 | 22.1° | 30.0° |
| C7 | C6 | C4 | C3 | 4.3° | 0.1° |
| C6 | C7 | N2 | C8 | 79.0° | 180.0° |
| C6 | C7 | N2 | H3 | 120.5° | 120.0° |
| C6 | C7 | N2 | H4 | 120.5° | 120.0° |
| C6 | C7 | H3 | H4 | 118.6° | 120.0° |
| C6 | C7 | N2 | H17 | 101.0° | 0.0° |
| C4 | C3 | O1 | O2 | 176.9° | 179.9° |
| C4 | C3 | O1 | C2 | 146.5° | 180.0° |
| C8 | C9 | N3 | H18 | 114.6° | 119.9° |
| C9 | C8 | N2 | C7 | 133.1° | 180.0° |
| C8 | C9 | N3 | C10 | 55.4° | 154.9° |
| C8 | C9 | N3 | H1 | 177.1° | 25.0° |
| C9 | C8 | N2 | H17 | 46.9° | 0.1° |
| N3 | C9 | C8 | N2 | 97.1° | 180.0° |
| C9 | N3 | C10 | H1 | 121.7° | 180.0° |
| C9 | N3 | C10 | C15 | 89.2° | 180.0° |
| C9 | N3 | C10 | C11 | 100.4° | 0.2° |
| C8 | N2 | C7 | H17 | 180.0° | 179.9° |
| C8 | N2 | C7 | H3 | 41.5° | 60.1° |
| C8 | N2 | C7 | H4 | 160.5° | 60.0° |
| N2 | C8 | C9 | H18 | 17.9° | 60.1° |
| N2 | C7 | H3 | H4 | 118.5° | 120.0° |
| C3 | O1 | C2 | C1 | 74.6° | 179.9° |
| C3 | O1 | C2 | H15 | 45.4° | 59.9° |
| C3 | O1 | C2 | H16 | 165.5° | 60.1° |
| C2 | O1 | C3 | O2 | 30.4° | 0.1° |
| O1 | C2 | C1 | H15 | 120.0° | 120.0° |
| O1 | C2 | C1 | H16 | 120.0° | 120.0° |
| O1 | C2 | C1 | H12 | 180.0° | 180.0° |
| O1 | C2 | C1 | H13 | 60.0° | 60.0° |
| O1 | C2 | C1 | H14 | 60.0° | 60.0° |
| O1 | C2 | H15 | H16 | 120.2° | 120.0° |
| N3 | C10 | C15 | C11 | 170.3° | 179.7° |
| N3 | C10 | C15 | C14 | 172.8° | 180.0° |
| N3 | C10 | C11 | C12 | 172.6° | 180.0° |
| N3 | C10 | C15 | H5 | 7.2° | 0.1° |
| C10 | N3 | C9 | H18 | 59.1° | 35.0° |
| N3 | C10 | C11 | H19 | 7.4° | 0.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.1° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| C1 | C2 | H15 | H16 | 120.1° | 120.0° |
| C10 | C15 | C14 | H5 | 180.0° | 179.9° |
| C15 | C10 | C11 | C12 | 2.4° | 0.3° |
| C10 | C15 | C14 | C13 | 0.8° | 0.0° |
| C10 | C15 | C14 | C16 | 178.7° | 180.0° |
| C15 | C10 | N3 | H1 | 149.1° | 0.0° |
| C15 | C10 | C11 | H19 | 177.6° | 179.7° |
| C11 | C10 | C15 | C14 | 2.5° | 0.2° |
| C10 | C11 | C12 | H19 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.9° | 0.0° |
| C11 | C10 | N3 | H1 | 21.3° | 179.7° |
| C11 | C10 | C15 | H5 | 177.5° | 179.8° |
| C10 | C11 | C12 | H20 | 179.1° | 180.0° |
| C15 | C14 | C13 | C16 | 178.3° | 180.0° |
| C15 | C14 | C13 | C12 | 4.2° | 0.3° |
| C15 | C14 | C13 | C17 | 178.0° | 180.0° |
| C15 | C14 | C16 | N4 | 167.0° | 162.5° |
| C15 | C14 | C16 | H21 | 74.2° | 78.5° |
| C15 | C14 | C16 | H22 | 48.1° | 43.5° |
| C11 | C12 | C13 | C14 | 4.2° | 0.3° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C11 | C12 | C13 | C17 | 176.6° | 179.9° |
| C14 | C13 | C12 | C17 | 172.4° | 179.6° |
| C13 | C14 | C16 | N4 | 11.1° | 17.6° |
| C14 | C13 | C17 | N4 | 17.0° | 17.5° |
| C13 | C14 | C15 | H5 | 179.2° | 179.9° |
| C14 | C13 | C17 | H6 | 135.8° | 136.2° |
| C14 | C13 | C17 | H7 | 101.8° | 101.9° |
| C14 | C13 | C12 | H20 | 175.8° | 179.7° |
| C13 | C14 | C16 | H21 | 107.8° | 101.5° |
| C13 | C14 | C16 | H22 | 129.9° | 136.6° |
| C16 | C14 | C13 | C12 | 177.5° | 179.7° |
| C16 | C14 | C13 | C17 | 3.8° | 0.0° |
| C14 | C16 | N4 | H21 | 118.9° | 119.1° |
| C14 | C16 | N4 | H22 | 118.9° | 119.0° |
| C14 | C16 | N4 | C17 | 22.4° | 27.7° |
| C16 | C14 | C15 | H5 | 1.3° | 0.0° |
| C14 | C16 | H21 | H22 | 123.3° | 121.9° |
| C14 | C16 | N4 | H23 | 142.5° | 147.0° |
| C12 | C13 | C17 | N4 | 170.0° | 162.2° |
| C12 | C13 | C17 | H6 | 51.2° | 43.4° |
| C12 | C13 | C17 | H7 | 71.2° | 78.4° |
| C13 | C12 | C11 | H19 | 179.0° | 180.0° |
| C13 | C17 | N4 | C16 | 24.5° | 27.6° |
| C13 | C17 | N4 | H6 | 118.8° | 118.9° |
| C13 | C17 | N4 | H7 | 118.8° | 119.3° |
| C13 | C17 | H6 | H7 | 123.4° | 121.9° |
| C17 | C13 | C12 | H20 | 3.4° | 0.1° |
| C13 | C17 | N4 | H23 | 144.6° | 147.0° |
| C16 | N4 | C17 | H23 | 120.1° | 119.3° |
| C16 | N4 | C17 | H6 | 143.3° | 146.6° |
| C16 | N4 | C17 | H7 | 94.3° | 91.6° |
| N4 | C16 | H21 | H22 | 123.3° | 121.9° |
| N4 | C17 | H6 | H7 | 123.5° | 122.0° |
| C17 | N4 | C16 | H21 | 96.5° | 91.4° |
| C17 | N4 | C16 | H22 | 141.3° | 146.6° |
| H1 | N3 | C9 | H18 | 62.5° | 145.0° |
| H3 | C7 | N2 | H17 | 138.5° | 120.0° |
| H4 | C7 | N2 | H17 | 19.5° | 120.0° |
| H6 | C17 | N4 | H23 | 96.6° | 94.1° |
| H7 | C17 | N4 | H23 | 25.8° | 27.7° |
| H9 | C24 | C23 | H26 | 4.9° | 0.0° |
| H9 | C24 | C25 | H27 | 140.7° | 0.1° |
| H9 | C24 | C25 | H28 | 0.1° | 145.0° |
| H10 | C24 | C23 | H26 | 145.5° | 145.0° |
| H10 | C24 | C25 | H27 | 0.1° | 145.0° |
| H10 | C24 | C25 | H28 | 140.6° | 0.0° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 60.0° | 60.0° |
| H12 | C1 | C2 | H16 | 60.1° | 60.0° |
| H13 | C1 | C2 | H15 | 180.0° | 60.1° |
| H13 | C1 | C2 | H16 | 60.0° | 180.0° |
| H14 | C1 | C2 | H15 | 60.0° | 180.0° |
| H14 | C1 | C2 | H16 | 180.0° | 60.0° |
| H19 | C11 | C12 | H20 | 1.0° | 0.0° |
| H21 | C16 | N4 | H23 | 23.6° | 28.0° |
| H22 | C16 | N4 | H23 | 98.7° | 94.0° |
| H26 | C23 | C25 | H27 | 145.4° | 0.1° |
| H26 | C23 | C25 | H28 | 4.8° | 145.0° |
