A1EKD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F3 | C22 | sing | 1.35Å | 1.36Å | |
| C21 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| F2 | C20 | sing | 1.35Å | 1.36Å | |
| C20 | C19 | doub | 1.41Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C19 | N4 | sing | 1.35Å | 1.43Å | Aromatic |
| C24 | S2 | sing | 1.76Å | 1.73Å | Aromatic |
| N4 | C18 | doub | 1.29Å | 1.35Å | Aromatic |
| S2 | C18 | sing | 1.76Å | 1.73Å | Aromatic |
| C18 | N3 | sing | 1.39Å | 1.40Å | |
| N3 | N5 | sing | 1.40Å | 1.38Å | Aromatic |
| N3 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| N5 | C25 | doub | 1.31Å | 1.33Å | Aromatic |
| O3 | C17 | sing | 1.36Å | 1.33Å | |
| C17 | C16 | doub | 1.36Å | 1.38Å | Aromatic |
| C25 | C16 | sing | 1.40Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C16 | C8 | sing | 1.51Å | 1.52Å | |
| O4 | C27 | sing | 1.36Å | 1.33Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.51Å | 1.53Å | |
| C27 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C27 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C7 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.41Å | Aromatic |
| S1 | C4 | sing | 1.76Å | 1.73Å | Aromatic |
| S1 | C3 | sing | 1.76Å | 1.73Å | Aromatic |
| O2 | C11 | doub | 1.21Å | 1.26Å | |
| N1 | C4 | sing | 1.39Å | 1.40Å | |
| N1 | N2 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C4 | N6 | doub | 1.29Å | 1.34Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.51Å | |
| C10 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | O1 | sing | 1.35Å | 1.26Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C2 | sing | 1.35Å | 1.43Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.38Å | Aromatic |
| C29 | F4 | sing | 1.35Å | 1.36Å | |
| C29 | C30 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C30 | sing | 1.37Å | 1.38Å | Aromatic |
| C1 | F1 | sing | 1.35Å | 1.36Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| O3 | H4 | sing | 0.97Å | 0.95Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F3 | C22 | C21 | 118.5° | 120.0° |
| F3 | C22 | C23 | 117.8° | 120.0° |
| C22 | C21 | C20 | 119.4° | 120.5° |
| C21 | C22 | C23 | 123.7° | 120.0° |
| C22 | C21 | H8 | 120.3° | 119.7° |
| C21 | C20 | F2 | 120.2° | 119.8° |
| C21 | C20 | C19 | 119.3° | 120.4° |
| C20 | C21 | H8 | 120.3° | 119.7° |
| C22 | C23 | C24 | 116.5° | 120.2° |
| C22 | C23 | H16 | 121.8° | 119.8° |
| F2 | C20 | C19 | 120.5° | 119.8° |
| C20 | C19 | C24 | 120.0° | 118.4° |
| C20 | C19 | N4 | 125.9° | 128.8° |
| C23 | C24 | C19 | 121.2° | 120.4° |
| C23 | C24 | S2 | 129.0° | 131.2° |
| C24 | C23 | H16 | 121.7° | 119.9° |
| C24 | C19 | N4 | 114.1° | 112.8° |
| C19 | C24 | S2 | 109.9° | 108.4° |
| C19 | N4 | C18 | 110.1° | 118.0° |
| C24 | S2 | C18 | 90.9° | 90.4° |
| N4 | C18 | S2 | 115.0° | 110.4° |
| N4 | C18 | N3 | 124.0° | 124.9° |
| S2 | C18 | N3 | 121.0° | 124.8° |
| C18 | N3 | N5 | 121.7° | 126.1° |
| C18 | N3 | C17 | 128.9° | 126.1° |
| N5 | N3 | C17 | 109.5° | 107.8° |
| N3 | N5 | C25 | 107.1° | 108.3° |
| N3 | C17 | O3 | 123.7° | 126.3° |
| N3 | C17 | C16 | 108.0° | 107.5° |
| N5 | C25 | C16 | 110.1° | 108.5° |
| N5 | C25 | C26 | 118.1° | 125.7° |
| O3 | C17 | C16 | 128.3° | 126.3° |
| C17 | O3 | H4 | 109.5° | 114.0° |
| C17 | C16 | C25 | 105.3° | 107.9° |
| C17 | C16 | C8 | 123.0° | 126.1° |
| C16 | C25 | C26 | 131.9° | 125.8° |
| C25 | C16 | C8 | 131.6° | 126.0° |
| C25 | C26 | H9 | 109.5° | 109.5° |
| C25 | C26 | H10 | 109.4° | 109.5° |
| C25 | C26 | H11 | 109.5° | 109.5° |
| C16 | C8 | C7 | 116.7° | 109.5° |
| C16 | C8 | C9 | 115.8° | 109.5° |
| C16 | C8 | H5 | 105.3° | 109.5° |
| O4 | C27 | C7 | 130.7° | 126.2° |
| O4 | C27 | N1 | 121.9° | 126.3° |
| C27 | O4 | H15 | 109.5° | 114.0° |
| C7 | C8 | C9 | 107.3° | 109.4° |
| C8 | C7 | C27 | 125.4° | 126.1° |
| C8 | C7 | C5 | 128.7° | 126.0° |
| C7 | C8 | H5 | 105.4° | 109.5° |
| C8 | C9 | C15 | 119.9° | 120.1° |
| C8 | C9 | C10 | 121.3° | 120.1° |
| C9 | C8 | H5 | 105.2° | 109.5° |
| C7 | C27 | N1 | 107.4° | 107.5° |
| C27 | C7 | C5 | 105.8° | 107.9° |
| C27 | N1 | C4 | 127.8° | 126.1° |
| C27 | N1 | N2 | 110.2° | 107.8° |
| C7 | C5 | N2 | 109.8° | 108.5° |
| C7 | C5 | C6 | 131.6° | 125.8° |
| C9 | C15 | C14 | 121.2° | 120.1° |
| C15 | C9 | C10 | 118.7° | 119.9° |
| C9 | C15 | H7 | 119.4° | 119.9° |
| C15 | C14 | C13 | 120.1° | 120.3° |
| C14 | C15 | H7 | 119.4° | 119.9° |
| C15 | C14 | H14 | 120.0° | 119.8° |
| C9 | C10 | C11 | 127.3° | 120.1° |
| C9 | C10 | C12 | 119.1° | 119.7° |
| C4 | S1 | C3 | 90.5° | 90.4° |
| S1 | C4 | N1 | 120.9° | 124.8° |
| S1 | C4 | N6 | 116.0° | 110.4° |
| S1 | C3 | C28 | 130.0° | 131.2° |
| S1 | C3 | C2 | 109.3° | 108.4° |
| O2 | C11 | C10 | 118.4° | 120.0° |
| O2 | C11 | O1 | 123.8° | 120.0° |
| C4 | N1 | N2 | 121.9° | 126.1° |
| N1 | C4 | N6 | 122.7° | 124.8° |
| N1 | N2 | C5 | 106.8° | 108.3° |
| C14 | C13 | C12 | 119.7° | 120.1° |
| C14 | C13 | H6 | 120.2° | 119.9° |
| C13 | C14 | H14 | 120.0° | 119.9° |
| N2 | C5 | C6 | 118.6° | 125.7° |
| C5 | C6 | H1 | 109.5° | 109.5° |
| C5 | C6 | H2 | 109.5° | 109.5° |
| C5 | C6 | H3 | 109.5° | 109.5° |
| C4 | N6 | C2 | 109.2° | 118.0° |
| C11 | C10 | C12 | 113.6° | 120.2° |
| C10 | C11 | O1 | 117.8° | 120.0° |
| C10 | C12 | C13 | 121.2° | 119.9° |
| C10 | C12 | H13 | 119.4° | 120.0° |
| C28 | C3 | C2 | 120.7° | 120.5° |
| C3 | C28 | C29 | 116.3° | 120.2° |
| C3 | C28 | H12 | 121.9° | 119.9° |
| C3 | C2 | N6 | 114.8° | 112.8° |
| C3 | C2 | C1 | 120.5° | 118.4° |
| C28 | C29 | F4 | 117.9° | 120.0° |
| C28 | C29 | C30 | 124.2° | 120.0° |
| C29 | C28 | H12 | 121.9° | 119.9° |
| C11 | O1 | H18 | 109.5° | 117.0° |
| C12 | C13 | H6 | 120.2° | 120.0° |
| C13 | C12 | H13 | 119.4° | 120.1° |
| N6 | C2 | C1 | 124.6° | 128.8° |
| C2 | C1 | C30 | 119.1° | 120.5° |
| C2 | C1 | F1 | 120.4° | 119.8° |
| F4 | C29 | C30 | 117.8° | 120.0° |
| C29 | C30 | C1 | 119.2° | 120.5° |
| C29 | C30 | H17 | 120.4° | 119.7° |
| C30 | C1 | F1 | 120.5° | 119.8° |
| C1 | C30 | H17 | 120.4° | 119.7° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H1 | C6 | H3 | 109.4° | 109.4° |
| H2 | C6 | H3 | 109.5° | 109.4° |
| H9 | C26 | H10 | 109.5° | 109.4° |
| H9 | C26 | H11 | 109.5° | 109.4° |
| H10 | C26 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F3 | C22 | C21 | C23 | 180.0° | 179.9° |
| F3 | C22 | C21 | C20 | 179.9° | 179.9° |
| F3 | C22 | C23 | C24 | 179.8° | 180.0° |
| F3 | C22 | C21 | H8 | 0.1° | 0.0° |
| F3 | C22 | C23 | H16 | 0.2° | 0.0° |
| C22 | C21 | C20 | H8 | 180.0° | 180.0° |
| C22 | C21 | C20 | F2 | 179.6° | 179.7° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C21 | C22 | C23 | C24 | 0.2° | 0.0° |
| C21 | C22 | C23 | H16 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | F2 | C19 | 179.7° | 179.6° |
| C21 | C20 | C19 | C24 | 0.0° | 0.0° |
| C21 | C20 | C19 | N4 | 180.0° | 180.0° |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.2° | 0.0° |
| C22 | C23 | C24 | S2 | 179.9° | 180.0° |
| C23 | C22 | C21 | H8 | 179.9° | 180.0° |
| F2 | C20 | C19 | C24 | 179.6° | 179.7° |
| F2 | C20 | C19 | N4 | 0.3° | 0.4° |
| F2 | C20 | C21 | H8 | 0.4° | 0.3° |
| C20 | C19 | C24 | C23 | 0.1° | 0.0° |
| C20 | C19 | C24 | N4 | 180.0° | 179.9° |
| C20 | C19 | C24 | S2 | 179.9° | 179.9° |
| C20 | C19 | N4 | C18 | 179.3° | 179.9° |
| C19 | C20 | C21 | H8 | 180.0° | 180.0° |
| C23 | C24 | C19 | S2 | 179.8° | 180.0° |
| C23 | C24 | C19 | N4 | 179.9° | 180.0° |
| C23 | C24 | S2 | C18 | 179.4° | 180.0° |
| C24 | C19 | N4 | C18 | 0.8° | 0.0° |
| C19 | C24 | S2 | C18 | 0.4° | 0.0° |
| C19 | C24 | C23 | H16 | 179.8° | 180.0° |
| N4 | C19 | C24 | S2 | 0.1° | 0.0° |
| C19 | N4 | C18 | S2 | 1.1° | 0.0° |
| C19 | N4 | C18 | N3 | 178.8° | 180.0° |
| C24 | S2 | C18 | N4 | 0.9° | 0.0° |
| C24 | S2 | C18 | N3 | 179.0° | 180.0° |
| S2 | C24 | C23 | H16 | 0.1° | 0.0° |
| N4 | C18 | S2 | N3 | 179.9° | 179.9° |
| N4 | C18 | N3 | N5 | 12.4° | 0.0° |
| N4 | C18 | N3 | C17 | 168.5° | 179.8° |
| S2 | C18 | N3 | N5 | 167.7° | 179.9° |
| S2 | C18 | N3 | C17 | 11.4° | 0.3° |
| C18 | N3 | N5 | C17 | 179.3° | 179.8° |
| C18 | N3 | N5 | C25 | 179.8° | 179.8° |
| C18 | N3 | C17 | O3 | 0.2° | 0.1° |
| C18 | N3 | C17 | C16 | 179.4° | 179.8° |
| N5 | N3 | C17 | O3 | 179.5° | 180.0° |
| N5 | N3 | C17 | C16 | 0.2° | 0.1° |
| N3 | N5 | C25 | C16 | 1.2° | 0.0° |
| N3 | N5 | C25 | C26 | 180.0° | 179.9° |
| C17 | N3 | N5 | C25 | 0.9° | 0.0° |
| N3 | C17 | O3 | C16 | 179.6° | 179.9° |
| N3 | C17 | C16 | C25 | 0.5° | 0.1° |
| N3 | C17 | C16 | C8 | 179.2° | 180.0° |
| N3 | C17 | O3 | H4 | 180.0° | 95.0° |
| N5 | C25 | C16 | C17 | 1.1° | 0.0° |
| N5 | C25 | C16 | C26 | 178.5° | 179.9° |
| N5 | C25 | C16 | C8 | 179.6° | 180.0° |
| N5 | C25 | C26 | H9 | 0.0° | 90.1° |
| N5 | C25 | C26 | H10 | 120.0° | 29.9° |
| N5 | C25 | C26 | H11 | 120.0° | 149.9° |
| O3 | C17 | C16 | C25 | 179.8° | 180.0° |
| O3 | C17 | C16 | C8 | 1.2° | 0.1° |
| C17 | C16 | C25 | C8 | 178.5° | 180.0° |
| C17 | C16 | C25 | C26 | 179.6° | 179.9° |
| C17 | C16 | C8 | C7 | 160.5° | 61.6° |
| C17 | C16 | C8 | C9 | 71.7° | 58.3° |
| C17 | C16 | C8 | H5 | 44.1° | 178.3° |
| C16 | C17 | O3 | H4 | 0.4° | 85.2° |
| C25 | C16 | C8 | C7 | 17.7° | 118.3° |
| C25 | C16 | C8 | C9 | 110.0° | 121.7° |
| C25 | C16 | C8 | H5 | 134.2° | 1.7° |
| C16 | C25 | C26 | H9 | 178.4° | 90.0° |
| C16 | C25 | C26 | H10 | 58.4° | 150.0° |
| C16 | C25 | C26 | H11 | 61.6° | 29.9° |
| C26 | C25 | C16 | C8 | 1.9° | 0.1° |
| C25 | C26 | H9 | H10 | 120.0° | 120.0° |
| C25 | C26 | H9 | H11 | 120.0° | 120.0° |
| C25 | C26 | H10 | H11 | 120.0° | 120.1° |
| C16 | C8 | C7 | C9 | 131.8° | 120.0° |
| C16 | C8 | C7 | H5 | 116.4° | 120.0° |
| C16 | C8 | C9 | H5 | 115.8° | 120.0° |
| C16 | C8 | C7 | C27 | 94.9° | 152.3° |
| C16 | C8 | C7 | C5 | 87.2° | 27.8° |
| C16 | C8 | C9 | C15 | 19.6° | 75.8° |
| C16 | C8 | C9 | C10 | 163.1° | 104.2° |
| O4 | C27 | C7 | C8 | 1.6° | 0.1° |
| O4 | C27 | C7 | N1 | 178.9° | 179.9° |
| O4 | C27 | C7 | C5 | 179.8° | 179.9° |
| O4 | C27 | N1 | C4 | 3.9° | 0.0° |
| O4 | C27 | N1 | N2 | 179.9° | 179.8° |
| C7 | C8 | C9 | H5 | 111.9° | 120.0° |
| C8 | C7 | C27 | C5 | 178.2° | 179.9° |
| C8 | C7 | C27 | N1 | 179.5° | 179.9° |
| C7 | C8 | C9 | C15 | 112.7° | 44.2° |
| C7 | C8 | C9 | C10 | 64.6° | 135.8° |
| C8 | C7 | C5 | N2 | 179.4° | 180.0° |
| C8 | C7 | C5 | C6 | 2.1° | 0.1° |
| C9 | C8 | C7 | C27 | 133.3° | 32.3° |
| C9 | C8 | C7 | C5 | 44.6° | 147.8° |
| C8 | C9 | C15 | C10 | 177.4° | 179.9° |
| C8 | C9 | C15 | C14 | 178.4° | 180.0° |
| C8 | C9 | C10 | C11 | 2.4° | 0.0° |
| C8 | C9 | C10 | C12 | 178.2° | 179.7° |
| C8 | C9 | C15 | H7 | 1.6° | 0.0° |
| C7 | C27 | N1 | C4 | 177.1° | 180.0° |
| C7 | C27 | N1 | N2 | 0.9° | 0.2° |
| C27 | C7 | C5 | N2 | 1.3° | 0.0° |
| C27 | C7 | C5 | C6 | 179.7° | 179.9° |
| C27 | C7 | C8 | H5 | 21.5° | 87.7° |
| C7 | C27 | O4 | H15 | 180.0° | 95.2° |
| N1 | C27 | C7 | C5 | 1.3° | 0.2° |
| C27 | N1 | C4 | S1 | 1.9° | 0.0° |
| C27 | N1 | C4 | N2 | 175.8° | 179.7° |
| C27 | N1 | N2 | C5 | 0.1° | 0.2° |
| C27 | N1 | C4 | N6 | 171.4° | 179.7° |
| N1 | C27 | O4 | H15 | 1.2° | 84.7° |
| C7 | C5 | N2 | N1 | 0.7° | 0.1° |
| C7 | C5 | N2 | C6 | 178.7° | 179.9° |
| C7 | C5 | C6 | H1 | 178.4° | 90.1° |
| C7 | C5 | C6 | H2 | 58.3° | 29.9° |
| C7 | C5 | C6 | H3 | 61.7° | 149.9° |
| C5 | C7 | C8 | H5 | 156.3° | 92.2° |
| C9 | C15 | C14 | H7 | 180.0° | 180.0° |
| C9 | C15 | C14 | C13 | 0.9° | 0.3° |
| C15 | C9 | C10 | C11 | 179.8° | 180.0° |
| C15 | C9 | C10 | C12 | 0.9° | 0.2° |
| C15 | C9 | C8 | H5 | 135.4° | 164.2° |
| C9 | C15 | C14 | H14 | 179.1° | 179.9° |
| C14 | C15 | C9 | C10 | 1.1° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 179.8° |
| C15 | C14 | C13 | C12 | 0.4° | 0.2° |
| C15 | C14 | C13 | H6 | 179.5° | 179.7° |
| C9 | C10 | C11 | O2 | 76.0° | 7.6° |
| C9 | C10 | C11 | C12 | 179.4° | 179.7° |
| C9 | C10 | C11 | O1 | 106.1° | 172.4° |
| C9 | C10 | C12 | C13 | 0.5° | 0.3° |
| C10 | C9 | C8 | H5 | 47.3° | 15.8° |
| C10 | C9 | C15 | H7 | 179.0° | 180.0° |
| C9 | C10 | C12 | H13 | 179.5° | 179.8° |
| S1 | C4 | N1 | N6 | 173.3° | 179.6° |
| S1 | C4 | N1 | N2 | 177.7° | 179.7° |
| C4 | S1 | C3 | C28 | 179.7° | 179.8° |
| C4 | S1 | C3 | C2 | 0.2° | 0.2° |
| S1 | C4 | N6 | C2 | 3.2° | 0.3° |
| C3 | S1 | C4 | N1 | 171.6° | 180.0° |
| C3 | S1 | C4 | N6 | 2.1° | 0.3° |
| S1 | C3 | C28 | C2 | 179.9° | 179.9° |
| S1 | C3 | C28 | C29 | 179.7° | 179.9° |
| S1 | C3 | C2 | N6 | 1.6° | 0.1° |
| S1 | C3 | C2 | C1 | 179.4° | 180.0° |
| S1 | C3 | C28 | H12 | 0.3° | 0.0° |
| O2 | C11 | C10 | O1 | 177.9° | 180.0° |
| O2 | C11 | C10 | C12 | 103.4° | 172.7° |
| O2 | C11 | O1 | H18 | 0.0° | 0.1° |
| C4 | N1 | N2 | C5 | 176.5° | 180.0° |
| N1 | C4 | N6 | C2 | 170.3° | 180.0° |
| N1 | N2 | C5 | C6 | 179.4° | 180.0° |
| N2 | N1 | C4 | N6 | 4.4° | 0.1° |
| C14 | C13 | C12 | C10 | 0.3° | 0.0° |
| C14 | C13 | C12 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | H7 | 179.2° | 179.7° |
| C14 | C13 | C12 | H13 | 179.7° | 180.0° |
| N2 | C5 | C6 | H1 | 0.0° | 90.0° |
| N2 | C5 | C6 | H2 | 120.0° | 150.0° |
| N2 | C5 | C6 | H3 | 120.0° | 30.0° |
| C5 | C6 | H1 | H2 | 120.0° | 120.0° |
| C5 | C6 | H1 | H3 | 120.0° | 120.1° |
| C5 | C6 | H2 | H3 | 120.0° | 120.0° |
| C4 | N6 | C2 | C3 | 3.1° | 0.2° |
| C4 | N6 | C2 | C1 | 179.2° | 179.8° |
| C11 | C10 | C12 | C13 | 180.0° | 180.0° |
| C11 | C10 | C12 | H13 | 0.0° | 0.0° |
| C10 | C11 | O1 | H18 | 177.8° | 180.0° |
| C12 | C10 | C11 | O1 | 74.5° | 7.4° |
| C10 | C12 | C13 | H13 | 180.0° | 180.0° |
| C10 | C12 | C13 | H6 | 179.7° | 180.0° |
| C3 | C28 | C29 | H12 | 180.0° | 179.9° |
| C28 | C3 | C2 | N6 | 178.5° | 179.9° |
| C28 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C28 | C29 | F4 | 178.3° | 180.0° |
| C3 | C28 | C29 | C30 | 0.8° | 0.0° |
| C2 | C3 | C28 | C29 | 0.2° | 0.0° |
| C3 | C2 | N6 | C1 | 177.7° | 179.9° |
| C3 | C2 | C1 | C30 | 1.0° | 0.0° |
| C3 | C2 | C1 | F1 | 178.7° | 180.0° |
| C2 | C3 | C28 | H12 | 179.8° | 179.9° |
| C28 | C29 | F4 | C30 | 177.7° | 180.0° |
| C28 | C29 | C30 | C1 | 0.5° | 0.0° |
| C28 | C29 | C30 | H17 | 179.6° | 180.0° |
| C12 | C13 | C14 | H14 | 179.5° | 179.9° |
| N6 | C2 | C1 | C30 | 178.6° | 179.9° |
| N6 | C2 | C1 | F1 | 1.1° | 0.1° |
| C2 | C1 | C30 | C29 | 0.5° | 0.0° |
| C2 | C1 | C30 | F1 | 179.7° | 179.9° |
| C2 | C1 | C30 | H17 | 179.5° | 179.9° |
| F4 | C29 | C30 | C1 | 178.0° | 180.0° |
| F4 | C29 | C28 | H12 | 1.7° | 0.1° |
| F4 | C29 | C30 | H17 | 2.0° | 0.1° |
| C29 | C30 | C1 | H17 | 180.0° | 179.9° |
| C29 | C30 | C1 | F1 | 179.3° | 179.9° |
| C30 | C29 | C28 | H12 | 179.3° | 180.0° |
| F1 | C1 | C30 | H17 | 0.8° | 0.0° |
| H1 | C6 | H2 | H3 | 120.0° | 119.9° |
| H6 | C13 | C12 | H13 | 0.3° | 0.0° |
| H6 | C13 | C14 | H14 | 0.5° | 0.1° |
| H7 | C15 | C14 | H14 | 0.8° | 0.1° |
| H9 | C26 | H10 | H11 | 120.0° | 119.9° |
