A1BEJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C23 | sing | 1.36Å | 1.36Å | |
| C23 | C22 | doub | 1.40Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.37Å | Aromatic |
| C24 | C25 | doub | 1.40Å | 1.42Å | Aromatic |
| CL1 | C10 | sing | 1.74Å | 1.72Å | |
| C21 | C9 | sing | 1.48Å | 1.50Å | |
| C21 | C30 | doub | 1.42Å | 1.44Å | Aromatic |
| C10 | C9 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.42Å | 1.43Å | Aromatic |
| C25 | C26 | sing | 1.41Å | 1.43Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | F1 | sing | 1.35Å | 1.33Å | |
| C8 | C7 | doub | 1.40Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.44Å | Aromatic |
| C1 | N1 | sing | 1.47Å | 1.50Å | |
| C12 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.43Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | C3 | sing | 1.47Å | 1.48Å | |
| C7 | N3 | sing | 1.34Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.36Å | Aromatic |
| C13 | N5 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C6 | doub | 1.31Å | 1.33Å | Aromatic |
| N5 | C16 | sing | 1.47Å | 1.44Å | |
| N5 | C15 | sing | 1.36Å | 1.38Å | Aromatic |
| C16 | C19 | sing | 1.55Å | 1.57Å | |
| C16 | C17 | sing | 1.55Å | 1.56Å | |
| C6 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | N2 | sing | 1.39Å | 1.37Å | |
| C14 | N4 | sing | 1.35Å | 1.39Å | Aromatic |
| C29 | C28 | doub | 1.36Å | 1.36Å | Aromatic |
| C15 | N4 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | C3 | sing | 1.53Å | 1.52Å | |
| C5 | N2 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| N2 | C4 | sing | 1.48Å | 1.47Å | |
| C27 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.56Å | 1.54Å | |
| C19 | N6 | sing | 1.50Å | 1.48Å | |
| C20 | C17 | sing | 1.56Å | 1.54Å | |
| C17 | C18 | sing | 1.57Å | 1.53Å | |
| N6 | C18 | sing | 1.50Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| N6 | H20 | sing | 1.01Å | 1.00Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C24 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C23 | C22 | 116.9° | 119.6° |
| O1 | C23 | C24 | 123.8° | 119.6° |
| C23 | O1 | H4 | 109.5° | 114.0° |
| C22 | C23 | C24 | 119.4° | 120.9° |
| C23 | C22 | C21 | 123.5° | 120.6° |
| C23 | C22 | H25 | 118.3° | 119.7° |
| C23 | C24 | C25 | 120.5° | 120.0° |
| C23 | C24 | H26 | 119.7° | 120.0° |
| C22 | C21 | C9 | 121.1° | 120.2° |
| C22 | C21 | C30 | 118.8° | 119.5° |
| C21 | C22 | H25 | 118.3° | 119.7° |
| C24 | C25 | C30 | 119.8° | 119.6° |
| C24 | C25 | C26 | 121.2° | 121.1° |
| C25 | C24 | H26 | 119.7° | 120.1° |
| CL1 | C10 | C9 | 120.6° | 119.7° |
| CL1 | C10 | C11 | 118.7° | 119.7° |
| C9 | C21 | C30 | 120.0° | 120.3° |
| C21 | C9 | C10 | 120.5° | 119.8° |
| C21 | C9 | C8 | 121.7° | 119.8° |
| C21 | C30 | C25 | 118.0° | 119.5° |
| C21 | C30 | C29 | 124.9° | 121.1° |
| C9 | C10 | C11 | 120.7° | 120.6° |
| C10 | C9 | C8 | 117.7° | 120.4° |
| C10 | C11 | C12 | 121.9° | 120.2° |
| C10 | C11 | H14 | 119.0° | 119.9° |
| C9 | C8 | F1 | 118.5° | 120.2° |
| C9 | C8 | C7 | 122.8° | 119.6° |
| C30 | C25 | C26 | 119.0° | 119.3° |
| C25 | C30 | C29 | 117.0° | 119.4° |
| C25 | C26 | C27 | 120.7° | 119.7° |
| C25 | C26 | H27 | 119.6° | 120.2° |
| C11 | C12 | C7 | 118.8° | 120.0° |
| C11 | C12 | C13 | 126.7° | 121.3° |
| C12 | C11 | H14 | 119.0° | 119.9° |
| F1 | C8 | C7 | 118.6° | 120.2° |
| C8 | C7 | C12 | 117.8° | 119.2° |
| C8 | C7 | N3 | 118.4° | 120.5° |
| C30 | C29 | C28 | 122.3° | 119.7° |
| C30 | C29 | H30 | 118.8° | 120.2° |
| C1 | N1 | C2 | 109.8° | 111.0° |
| C1 | N1 | C3 | 111.3° | 111.0° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| C7 | C12 | C13 | 114.4° | 118.7° |
| C12 | C7 | N3 | 123.7° | 120.4° |
| C12 | C13 | N5 | 131.8° | 135.1° |
| C12 | C13 | C14 | 121.5° | 118.5° |
| C2 | N1 | C3 | 110.6° | 111.0° |
| N1 | C2 | H5 | 109.5° | 109.5° |
| N1 | C2 | H6 | 109.5° | 109.5° |
| N1 | C2 | H7 | 109.5° | 109.4° |
| N1 | C3 | C5 | 114.4° | 114.4° |
| N1 | C3 | C4 | 115.9° | 114.2° |
| N1 | C3 | H8 | 112.4° | 113.3° |
| C7 | N3 | C6 | 119.2° | 122.2° |
| C26 | C27 | C28 | 120.9° | 121.0° |
| C27 | C26 | H27 | 119.6° | 120.2° |
| C26 | C27 | H28 | 119.6° | 119.5° |
| N5 | C13 | C14 | 106.7° | 106.4° |
| C13 | N5 | C16 | 125.0° | 126.3° |
| C13 | N5 | C15 | 105.5° | 107.3° |
| C13 | C14 | C6 | 118.8° | 119.1° |
| C13 | C14 | N4 | 109.4° | 106.9° |
| N3 | C6 | C14 | 121.7° | 121.1° |
| N3 | C6 | N2 | 118.7° | 119.5° |
| C16 | N5 | C15 | 126.8° | 126.4° |
| N5 | C16 | C19 | 118.9° | 114.4° |
| N5 | C16 | C17 | 121.4° | 114.4° |
| N5 | C16 | H16 | 112.1° | 113.5° |
| N5 | C15 | N4 | 113.8° | 109.8° |
| N5 | C15 | H15 | 123.1° | 125.1° |
| C19 | C16 | C17 | 80.1° | 82.1° |
| C16 | C19 | C20 | 86.4° | 81.6° |
| C16 | C19 | N6 | 102.1° | 103.5° |
| C19 | C16 | H16 | 110.1° | 114.5° |
| C16 | C19 | H22 | 119.2° | 119.9° |
| C16 | C17 | C20 | 86.9° | 81.5° |
| C16 | C17 | C18 | 104.8° | 101.9° |
| C17 | C16 | H16 | 110.4° | 114.5° |
| C16 | C17 | H17 | 119.5° | 121.0° |
| C14 | C6 | N2 | 119.1° | 119.4° |
| C6 | C14 | N4 | 131.7° | 134.0° |
| C6 | N2 | C5 | 129.5° | 111.0° |
| C6 | N2 | C4 | 130.5° | 111.0° |
| C14 | N4 | C15 | 104.5° | 109.5° |
| C29 | C28 | C27 | 119.8° | 121.0° |
| C29 | C28 | H29 | 120.1° | 119.5° |
| C28 | C29 | H30 | 118.8° | 120.2° |
| N4 | C15 | H15 | 123.1° | 125.1° |
| C3 | C5 | N2 | 89.1° | 88.0° |
| C5 | C3 | C4 | 88.9° | 83.6° |
| C5 | C3 | H8 | 111.8° | 114.1° |
| C3 | C5 | H12 | 114.3° | 113.5° |
| C3 | C5 | H13 | 114.3° | 113.5° |
| C5 | N2 | C4 | 93.9° | 87.8° |
| N2 | C5 | H12 | 114.3° | 113.5° |
| N2 | C5 | H13 | 114.3° | 113.4° |
| C3 | C4 | N2 | 88.0° | 87.9° |
| C4 | C3 | H8 | 111.4° | 114.1° |
| C3 | C4 | H10 | 114.5° | 113.5° |
| C3 | C4 | H11 | 114.6° | 113.5° |
| N2 | C4 | H10 | 114.5° | 113.5° |
| N2 | C4 | H11 | 114.5° | 113.4° |
| C28 | C27 | H28 | 119.5° | 119.5° |
| C27 | C28 | H29 | 120.1° | 119.5° |
| C20 | C19 | N6 | 101.7° | 108.3° |
| C19 | C20 | C17 | 81.4° | 81.5° |
| C20 | C19 | H22 | 119.8° | 119.2° |
| C19 | C20 | H23 | 116.0° | 114.6° |
| C19 | C20 | H24 | 116.0° | 114.5° |
| C19 | N6 | C18 | 101.9° | 101.0° |
| C19 | N6 | H20 | 111.3° | 111.0° |
| N6 | C19 | H22 | 121.1° | 118.0° |
| C20 | C17 | C18 | 99.1° | 106.4° |
| C20 | C17 | H17 | 119.8° | 120.8° |
| C17 | C20 | H23 | 116.0° | 114.5° |
| C17 | C20 | H24 | 116.0° | 114.5° |
| C17 | C18 | N6 | 98.9° | 99.2° |
| C18 | C17 | H17 | 120.3° | 118.4° |
| C17 | C18 | H18 | 112.1° | 111.5° |
| C17 | C18 | H19 | 112.0° | 111.5° |
| N6 | C18 | H18 | 112.1° | 111.4° |
| N6 | C18 | H19 | 112.0° | 111.4° |
| C18 | N6 | H20 | 111.3° | 111.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H5 | C2 | H7 | 109.4° | 109.4° |
| H6 | C2 | H7 | 109.4° | 109.5° |
| H10 | C4 | H11 | 109.4° | 112.8° |
| H12 | C5 | H13 | 109.4° | 112.8° |
| H18 | C18 | H19 | 109.5° | 111.2° |
| H23 | C20 | H24 | 109.4° | 113.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C23 | C22 | C24 | 179.8° | 180.0° |
| O1 | C23 | C22 | C21 | 179.4° | 180.0° |
| O1 | C23 | C24 | C25 | 178.8° | 180.0° |
| O1 | C23 | C22 | H25 | 0.6° | 0.0° |
| O1 | C23 | C24 | H26 | 1.1° | 0.0° |
| C23 | C22 | C21 | H25 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.4° | 0.0° |
| C23 | C22 | C21 | C9 | 176.0° | 180.0° |
| C23 | C22 | C21 | C30 | 0.7° | 0.3° |
| C22 | C23 | O1 | H4 | 180.0° | 90.0° |
| C22 | C23 | C24 | H26 | 178.7° | 180.0° |
| C24 | C23 | C22 | C21 | 0.8° | 0.1° |
| C23 | C24 | C25 | H26 | 180.0° | 180.0° |
| C23 | C24 | C25 | C30 | 0.4° | 0.2° |
| C23 | C24 | C25 | C26 | 179.0° | 180.0° |
| C24 | C23 | O1 | H4 | 0.2° | 90.0° |
| C24 | C23 | C22 | H25 | 179.2° | 180.0° |
| C22 | C21 | C9 | C30 | 175.2° | 179.7° |
| C22 | C21 | C9 | C10 | 75.8° | 89.7° |
| C22 | C21 | C9 | C8 | 106.3° | 90.3° |
| C22 | C21 | C30 | C25 | 1.6° | 0.5° |
| C22 | C21 | C30 | C29 | 179.4° | 179.8° |
| C24 | C25 | C30 | C21 | 1.0° | 0.5° |
| C24 | C25 | C30 | C26 | 179.4° | 179.8° |
| C24 | C25 | C30 | C29 | 179.8° | 179.7° |
| C24 | C25 | C26 | C27 | 176.7° | 180.0° |
| C24 | C25 | C26 | H27 | 3.3° | 0.0° |
| CL1 | C10 | C9 | C21 | 5.4° | 0.0° |
| CL1 | C10 | C9 | C11 | 179.3° | 180.0° |
| CL1 | C10 | C9 | C8 | 176.6° | 180.0° |
| CL1 | C10 | C11 | C12 | 178.2° | 180.0° |
| CL1 | C10 | C11 | H14 | 1.8° | 0.0° |
| C21 | C9 | C10 | C8 | 178.0° | 180.0° |
| C21 | C9 | C10 | C11 | 174.0° | 179.9° |
| C9 | C21 | C30 | C25 | 176.9° | 179.8° |
| C21 | C9 | C8 | F1 | 0.1° | 0.1° |
| C21 | C9 | C8 | C7 | 176.9° | 180.0° |
| C9 | C21 | C30 | C29 | 4.0° | 0.5° |
| C9 | C21 | C22 | H25 | 4.1° | 0.0° |
| C30 | C21 | C9 | C10 | 99.5° | 90.0° |
| C30 | C21 | C9 | C8 | 78.5° | 90.0° |
| C21 | C30 | C25 | C29 | 179.1° | 179.3° |
| C21 | C30 | C25 | C26 | 179.6° | 179.8° |
| C21 | C30 | C29 | C28 | 179.2° | 179.7° |
| C30 | C21 | C22 | H25 | 179.3° | 179.8° |
| C21 | C30 | C29 | H30 | 0.8° | 0.4° |
| C9 | C10 | C11 | C12 | 2.4° | 0.0° |
| C10 | C9 | C8 | F1 | 178.1° | 179.9° |
| C10 | C9 | C8 | C7 | 1.1° | 0.0° |
| C9 | C10 | C11 | H14 | 177.6° | 180.0° |
| C11 | C10 | C9 | C8 | 4.0° | 0.0° |
| C10 | C11 | C12 | H14 | 180.0° | 179.9° |
| C10 | C11 | C12 | C7 | 2.2° | 0.0° |
| C10 | C11 | C12 | C13 | 177.5° | 180.0° |
| C9 | C8 | F1 | C7 | 177.1° | 179.9° |
| C9 | C8 | C7 | C12 | 3.4° | 0.0° |
| C9 | C8 | C7 | N3 | 175.0° | 180.0° |
| C30 | C25 | C26 | C27 | 2.7° | 0.3° |
| C25 | C30 | C29 | C28 | 1.7° | 0.5° |
| C30 | C25 | C24 | H26 | 179.6° | 179.8° |
| C30 | C25 | C26 | H27 | 177.3° | 179.8° |
| C25 | C30 | C29 | H30 | 178.3° | 179.7° |
| C26 | C25 | C30 | C29 | 0.4° | 0.5° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 4.6° | 0.0° |
| C26 | C25 | C24 | H26 | 1.0° | 0.0° |
| C25 | C26 | C27 | H28 | 175.4° | 180.0° |
| C11 | C12 | C7 | C8 | 5.0° | 0.0° |
| C11 | C12 | C7 | C13 | 175.8° | 179.9° |
| C11 | C12 | C7 | N3 | 173.3° | 180.0° |
| C11 | C12 | C13 | N5 | 10.9° | 0.0° |
| C11 | C12 | C13 | C14 | 169.1° | 180.0° |
| F1 | C8 | C7 | C12 | 173.6° | 179.9° |
| F1 | C8 | C7 | N3 | 8.1° | 0.1° |
| C8 | C7 | C12 | N3 | 178.2° | 180.0° |
| C8 | C7 | C12 | C13 | 179.2° | 180.0° |
| C8 | C7 | N3 | C6 | 173.7° | 180.0° |
| C30 | C29 | C28 | H30 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 0.0° | 0.3° |
| C30 | C29 | C28 | H29 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 123.2° | 124.0° |
| C1 | N1 | C3 | C5 | 67.0° | 86.0° |
| C1 | N1 | C3 | C4 | 168.3° | 180.0° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N1 | C2 | H5 | 180.0° | 60.0° |
| C1 | N1 | C2 | H6 | 60.0° | 180.0° |
| C1 | N1 | C2 | H7 | 60.0° | 60.0° |
| C1 | N1 | C3 | H8 | 62.0° | 47.1° |
| C7 | C12 | C13 | N5 | 173.6° | 180.0° |
| C7 | C12 | C13 | C14 | 6.3° | 0.1° |
| C12 | C7 | N3 | C6 | 4.6° | 0.0° |
| C7 | C12 | C11 | H14 | 177.8° | 180.0° |
| C13 | C12 | C7 | N3 | 2.5° | 0.0° |
| C12 | C13 | N5 | C14 | 179.9° | 180.0° |
| C12 | C13 | N5 | C16 | 18.2° | 0.0° |
| C12 | C13 | N5 | C15 | 179.6° | 179.9° |
| C12 | C13 | C14 | C6 | 3.2° | 0.0° |
| C12 | C13 | C14 | N4 | 178.7° | 179.8° |
| C13 | C12 | C11 | H14 | 2.5° | 0.1° |
| C2 | N1 | C3 | C5 | 170.7° | 149.9° |
| C2 | N1 | C3 | C4 | 69.4° | 56.0° |
| C2 | N1 | C1 | H1 | 180.0° | 56.0° |
| C2 | N1 | C1 | H2 | 60.0° | 176.1° |
| C2 | N1 | C1 | H3 | 60.0° | 64.0° |
| N1 | C2 | H5 | H6 | 120.0° | 120.1° |
| N1 | C2 | H5 | H7 | 120.0° | 119.9° |
| N1 | C2 | H6 | H7 | 120.0° | 119.9° |
| C2 | N1 | C3 | H8 | 60.3° | 76.9° |
| N1 | C3 | C5 | C4 | 118.1° | 113.7° |
| N1 | C3 | C5 | H8 | 129.2° | 132.7° |
| N1 | C3 | C5 | N2 | 116.1° | 139.7° |
| N1 | C3 | C4 | H8 | 130.2° | 132.5° |
| N1 | C3 | C4 | N2 | 114.7° | 139.9° |
| C3 | N1 | C1 | H1 | 57.2° | 180.0° |
| C3 | N1 | C1 | H2 | 62.8° | 59.9° |
| C3 | N1 | C1 | H3 | 177.3° | 60.0° |
| C3 | N1 | C2 | H5 | 56.8° | 64.0° |
| C3 | N1 | C2 | H6 | 176.8° | 56.1° |
| C3 | N1 | C2 | H7 | 63.2° | 176.0° |
| N1 | C3 | C4 | H10 | 1.5° | 105.3° |
| N1 | C3 | C4 | H11 | 129.1° | 25.2° |
| N1 | C3 | C5 | H12 | 127.5° | 24.9° |
| N1 | C3 | C5 | H13 | 0.3° | 105.5° |
| C7 | N3 | C6 | C14 | 8.1° | 0.0° |
| C7 | N3 | C6 | N2 | 179.7° | 179.8° |
| C26 | C27 | C28 | C29 | 3.3° | 0.1° |
| C26 | C27 | C28 | H28 | 180.0° | 180.0° |
| C26 | C27 | C28 | H29 | 176.7° | 180.0° |
| C13 | N5 | C16 | C15 | 158.3° | 179.9° |
| C13 | N5 | C16 | C19 | 47.2° | 160.9° |
| C13 | N5 | C16 | C17 | 143.4° | 68.7° |
| N5 | C13 | C14 | C6 | 176.7° | 180.0° |
| N5 | C13 | C14 | N4 | 1.3° | 0.2° |
| C13 | N5 | C15 | N4 | 0.7° | 0.0° |
| C13 | N5 | C15 | H15 | 179.3° | 179.9° |
| C13 | N5 | C16 | H16 | 83.2° | 65.2° |
| C13 | C14 | C6 | N3 | 4.4° | 0.0° |
| C14 | C13 | N5 | C16 | 161.7° | 180.0° |
| C14 | C13 | N5 | C15 | 0.4° | 0.1° |
| C13 | C14 | C6 | N4 | 177.6° | 179.8° |
| C13 | C14 | C6 | N2 | 176.5° | 179.8° |
| C13 | C14 | N4 | C15 | 1.7° | 0.2° |
| N3 | C6 | C14 | N2 | 172.1° | 179.8° |
| N3 | C6 | C14 | N4 | 173.2° | 179.8° |
| N3 | C6 | N2 | C5 | 25.4° | 96.2° |
| N3 | C6 | N2 | C4 | 170.3° | 0.2° |
| N5 | C16 | C19 | C17 | 120.5° | 113.3° |
| N5 | C16 | C19 | H16 | 131.3° | 133.4° |
| N5 | C16 | C17 | H16 | 134.1° | 133.4° |
| C16 | N5 | C15 | N4 | 162.4° | 179.9° |
| N5 | C16 | C19 | C20 | 157.0° | 155.1° |
| N5 | C16 | C19 | N6 | 55.8° | 48.1° |
| N5 | C16 | C17 | C20 | 154.4° | 155.0° |
| N5 | C16 | C17 | C18 | 55.7° | 49.9° |
| C16 | N5 | C15 | H15 | 17.6° | 0.0° |
| N5 | C16 | C17 | H17 | 82.8° | 84.0° |
| N5 | C16 | C19 | H22 | 80.7° | 86.0° |
| C15 | N5 | C16 | C19 | 111.1° | 19.0° |
| C15 | N5 | C16 | C17 | 15.0° | 111.2° |
| N5 | C15 | N4 | C14 | 1.5° | 0.1° |
| N5 | C15 | N4 | H15 | 180.0° | 179.8° |
| C15 | N5 | C16 | H16 | 118.5° | 114.9° |
| C19 | C16 | C17 | H16 | 108.0° | 113.3° |
| C16 | C19 | C20 | N6 | 101.6° | 101.5° |
| C16 | C19 | C20 | H22 | 121.8° | 119.7° |
| C16 | C19 | N6 | H22 | 135.4° | 135.2° |
| C19 | C16 | C17 | C20 | 36.5° | 41.7° |
| C19 | C16 | C17 | C18 | 62.2° | 63.4° |
| C16 | C19 | N6 | C18 | 48.2° | 44.0° |
| C19 | C16 | C17 | H17 | 159.3° | 162.7° |
| C16 | C19 | N6 | H20 | 70.5° | 73.7° |
| C16 | C19 | C20 | H23 | 151.5° | 71.6° |
| C16 | C19 | C20 | H24 | 78.1° | 154.8° |
| C17 | C16 | C19 | N6 | 64.7° | 65.1° |
| C16 | C17 | C20 | C18 | 104.5° | 99.9° |
| C16 | C17 | C20 | H17 | 122.6° | 121.1° |
| C16 | C17 | C18 | H17 | 138.2° | 135.4° |
| C16 | C17 | C18 | N6 | 40.1° | 43.3° |
| C16 | C17 | C18 | H18 | 158.4° | 160.8° |
| C16 | C17 | C18 | H19 | 78.1° | 74.2° |
| C17 | C16 | C19 | H22 | 158.8° | 160.8° |
| C16 | C17 | C20 | H23 | 151.9° | 71.6° |
| C16 | C17 | C20 | H24 | 77.7° | 154.7° |
| C6 | C14 | N4 | C15 | 176.0° | 180.0° |
| C14 | C6 | N2 | C5 | 162.2° | 84.1° |
| C14 | C6 | N2 | C4 | 17.3° | 180.0° |
| N2 | C6 | C14 | N4 | 1.1° | 0.0° |
| C6 | N2 | C5 | C3 | 151.9° | 138.7° |
| C6 | N2 | C5 | C4 | 154.0° | 111.7° |
| C6 | N2 | C4 | C3 | 151.5° | 138.7° |
| C6 | N2 | C4 | H10 | 35.3° | 106.4° |
| C6 | N2 | C4 | H11 | 92.3° | 24.0° |
| C6 | N2 | C5 | H12 | 91.7° | 23.9° |
| C6 | N2 | C5 | H13 | 35.5° | 106.5° |
| C14 | N4 | C15 | H15 | 178.5° | 180.0° |
| C29 | C28 | C27 | H29 | 180.0° | 180.0° |
| C29 | C28 | C27 | H28 | 176.7° | 180.0° |
| C3 | C5 | N2 | H12 | 116.4° | 114.8° |
| C3 | C5 | N2 | H13 | 116.4° | 114.8° |
| C5 | C3 | C4 | H8 | 113.1° | 113.6° |
| C3 | C5 | N2 | C4 | 2.1° | 27.0° |
| C5 | C3 | C4 | H10 | 118.2° | 140.8° |
| C5 | C3 | C4 | H11 | 114.2° | 88.7° |
| C3 | C5 | H12 | H13 | 129.7° | 130.8° |
| N2 | C5 | C3 | H8 | 114.7° | 87.6° |
| C5 | N2 | C4 | H10 | 118.3° | 141.8° |
| C5 | N2 | C4 | H11 | 114.1° | 87.7° |
| N2 | C5 | H12 | H13 | 129.6° | 130.8° |
| C3 | C4 | N2 | H10 | 116.2° | 114.8° |
| C3 | C4 | N2 | H11 | 116.2° | 114.7° |
| C3 | C4 | H10 | H11 | 130.2° | 130.8° |
| C4 | C3 | C5 | H12 | 114.4° | 88.8° |
| C4 | C3 | C5 | H13 | 118.4° | 140.8° |
| N2 | C4 | C3 | H8 | 115.1° | 87.6° |
| N2 | C4 | H10 | H11 | 130.2° | 130.8° |
| C4 | N2 | C5 | H12 | 114.3° | 87.8° |
| C4 | N2 | C5 | H13 | 118.5° | 141.8° |
| C28 | C27 | C26 | H27 | 175.3° | 180.0° |
| C27 | C28 | C29 | H30 | 180.0° | 179.9° |
| C20 | C19 | N6 | H22 | 135.8° | 139.4° |
| C19 | C20 | C17 | H23 | 114.8° | 113.2° |
| C19 | C20 | C17 | H24 | 114.8° | 113.1° |
| C19 | C20 | C17 | C18 | 67.4° | 58.4° |
| C20 | C19 | N6 | C18 | 40.5° | 41.5° |
| C20 | C19 | C16 | H16 | 71.7° | 71.6° |
| C19 | C20 | C17 | H17 | 159.6° | 162.7° |
| C20 | C19 | N6 | H20 | 159.3° | 159.2° |
| C19 | C20 | H23 | H24 | 133.5° | 134.1° |
| N6 | C19 | C20 | C17 | 64.9° | 59.9° |
| C19 | N6 | C18 | C17 | 5.0° | 0.2° |
| C19 | N6 | C18 | H20 | 118.8° | 117.8° |
| N6 | C19 | C16 | H16 | 172.9° | 178.5° |
| C19 | N6 | C18 | H18 | 113.3° | 117.4° |
| C19 | N6 | C18 | H19 | 123.2° | 117.7° |
| N6 | C19 | C20 | H23 | 49.9° | 173.1° |
| N6 | C19 | C20 | H24 | 179.7° | 53.3° |
| C20 | C17 | C18 | H17 | 132.7° | 140.1° |
| C20 | C17 | C18 | N6 | 49.0° | 41.2° |
| C20 | C17 | C16 | H16 | 71.5° | 71.6° |
| C20 | C17 | C18 | H18 | 69.2° | 76.3° |
| C20 | C17 | C18 | H19 | 167.2° | 158.7° |
| C17 | C20 | C19 | H22 | 158.5° | 161.3° |
| C17 | C20 | H23 | H24 | 133.5° | 134.1° |
| C17 | C18 | N6 | H18 | 118.3° | 117.6° |
| C17 | C18 | N6 | H19 | 118.2° | 117.6° |
| C18 | C17 | C16 | H16 | 170.1° | 176.7° |
| C17 | C18 | H18 | H19 | 125.0° | 125.1° |
| C17 | C18 | N6 | H20 | 113.8° | 117.6° |
| C18 | C17 | C20 | H23 | 47.4° | 171.6° |
| C18 | C17 | C20 | H24 | 177.8° | 54.8° |
| N6 | C18 | C17 | H17 | 178.3° | 178.7° |
| N6 | C18 | H18 | H19 | 124.9° | 125.0° |
| C18 | N6 | C19 | H22 | 176.3° | 179.2° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C2 | H6 | H7 | 119.9° | 120.0° |
| H8 | C3 | C4 | H10 | 128.7° | 27.2° |
| H8 | C3 | C4 | H11 | 1.1° | 157.7° |
| H8 | C3 | C5 | H12 | 1.7° | 157.6° |
| H8 | C3 | C5 | H13 | 128.9° | 27.2° |
| H16 | C16 | C17 | H17 | 51.3° | 49.4° |
| H16 | C16 | C19 | H22 | 50.6° | 47.4° |
| H17 | C17 | C18 | H18 | 63.4° | 63.8° |
| H17 | C17 | C18 | H19 | 60.1° | 61.2° |
| H17 | C17 | C20 | H23 | 85.6° | 49.5° |
| H17 | C17 | C20 | H24 | 44.9° | 84.2° |
| H18 | C18 | N6 | H20 | 127.9° | 124.8° |
| H19 | C18 | N6 | H20 | 4.4° | 0.1° |
| H20 | N6 | C19 | H22 | 64.9° | 61.4° |
| H22 | C19 | C20 | H23 | 86.8° | 48.1° |
| H22 | C19 | C20 | H24 | 43.7° | 85.5° |
| H27 | C26 | C27 | H28 | 4.7° | 0.0° |
| H28 | C27 | C28 | H29 | 3.3° | 0.0° |
| H29 | C28 | C29 | H30 | 0.0° | 0.1° |
