A1JKV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | N6 | sing | 1.47Å | 1.47Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C9 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C7 | sing | 1.51Å | 1.52Å | |
| O16 | C15 | doub | 1.22Å | 1.22Å | |
| N6 | C15 | sing | 1.35Å | 1.37Å | |
| N6 | C7 | sing | 1.47Å | 1.48Å | |
| C15 | N17 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| C18 | C20 | sing | 1.53Å | 1.54Å | |
| C3 | C8 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.49Å | |
| C21 | S22 | sing | 1.81Å | 1.78Å | |
| O23 | S22 | doub | 1.42Å | 1.44Å | |
| C25 | S22 | sing | 1.81Å | 1.75Å | |
| S22 | O24 | doub | 1.42Å | 1.44Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| N17 | H21 | sing | 0.97Å | 1.00Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.08Å | 1.08Å | |
| C12 | H29 | sing | 1.08Å | 1.08Å | |
| C11 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C10 | 120.3° | 120.0° |
| C11 | C12 | C13 | 119.7° | 120.0° |
| C11 | C12 | H29 | 120.2° | 120.0° |
| C12 | C11 | H30 | 119.8° | 120.0° |
| C11 | C10 | C9 | 120.7° | 120.0° |
| C11 | C10 | H8 | 119.6° | 120.0° |
| C10 | C11 | H30 | 119.9° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H9 | 119.8° | 120.0° |
| C13 | C12 | H29 | 120.2° | 120.0° |
| C10 | C9 | C14 | 118.5° | 120.0° |
| C10 | C9 | C7 | 121.8° | 120.0° |
| C9 | C10 | H8 | 119.7° | 120.0° |
| C13 | C14 | C9 | 120.7° | 120.0° |
| C14 | C13 | H9 | 119.9° | 120.0° |
| C13 | C14 | H28 | 119.7° | 120.0° |
| N6 | C5 | C4 | 110.0° | 108.8° |
| C5 | N6 | C15 | 118.8° | 120.7° |
| C5 | N6 | C7 | 118.8° | 118.7° |
| N6 | C5 | H3 | 109.3° | 109.6° |
| N6 | C5 | H4 | 109.4° | 109.5° |
| C5 | C4 | C3 | 110.8° | 109.3° |
| C5 | C4 | H1 | 109.1° | 109.5° |
| C5 | C4 | H2 | 109.1° | 109.5° |
| C4 | C5 | H3 | 109.3° | 109.6° |
| C4 | C5 | H4 | 109.3° | 109.6° |
| C19 | C18 | N17 | 110.5° | 109.5° |
| C19 | C18 | C20 | 110.8° | 109.5° |
| C19 | C18 | H17 | 108.6° | 109.5° |
| C18 | C19 | H18 | 109.5° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H20 | 109.5° | 109.5° |
| C14 | C9 | C7 | 119.7° | 120.0° |
| C9 | C14 | H28 | 119.7° | 120.0° |
| C9 | C7 | N6 | 112.1° | 109.7° |
| C9 | C7 | C8 | 120.8° | 109.6° |
| C9 | C7 | H5 | 103.9° | 109.6° |
| O16 | C15 | N6 | 121.1° | 120.0° |
| O16 | C15 | N17 | 122.7° | 120.0° |
| C15 | N6 | C7 | 122.3° | 120.6° |
| N6 | C15 | N17 | 116.2° | 120.0° |
| N6 | C7 | C8 | 110.0° | 108.8° |
| N6 | C7 | H5 | 104.3° | 109.5° |
| C15 | N17 | C18 | 123.1° | 120.0° |
| C15 | N17 | H21 | 118.5° | 120.0° |
| C4 | C3 | C8 | 109.9° | 109.5° |
| C4 | C3 | C2 | 111.3° | 109.4° |
| C3 | C4 | H1 | 109.2° | 109.5° |
| C3 | C4 | H2 | 109.1° | 109.5° |
| C4 | C3 | H22 | 107.8° | 109.5° |
| C7 | C8 | C3 | 119.0° | 109.3° |
| C8 | C7 | H5 | 103.8° | 109.6° |
| C7 | C8 | H6 | 107.0° | 109.5° |
| C7 | C8 | H7 | 107.0° | 109.5° |
| N17 | C18 | C20 | 109.0° | 109.4° |
| N17 | C18 | H17 | 109.4° | 109.5° |
| C18 | N17 | H21 | 118.5° | 120.0° |
| C18 | C20 | C21 | 112.4° | 109.5° |
| C18 | C20 | H10 | 108.7° | 109.5° |
| C18 | C20 | H11 | 108.7° | 109.4° |
| C20 | C18 | H17 | 108.4° | 109.5° |
| C8 | C3 | C2 | 112.2° | 109.5° |
| C3 | C8 | H6 | 107.1° | 109.5° |
| C3 | C8 | H7 | 107.0° | 109.5° |
| C8 | C3 | H22 | 107.7° | 109.5° |
| C3 | C2 | C1 | 117.9° | 109.5° |
| C2 | C3 | H22 | 107.7° | 109.5° |
| C3 | C2 | H23 | 107.3° | 109.4° |
| C3 | C2 | H24 | 107.3° | 109.4° |
| C1 | C2 | H23 | 107.3° | 109.5° |
| C1 | C2 | H24 | 107.3° | 109.4° |
| C2 | C1 | H25 | 109.5° | 109.5° |
| C2 | C1 | H26 | 109.5° | 109.5° |
| C2 | C1 | H27 | 109.5° | 109.4° |
| C20 | C21 | S22 | 112.4° | 109.5° |
| C21 | C20 | H10 | 108.7° | 109.5° |
| C21 | C20 | H11 | 108.7° | 109.5° |
| C20 | C21 | H12 | 108.7° | 109.5° |
| C20 | C21 | H13 | 108.7° | 109.5° |
| C21 | S22 | O23 | 108.6° | 108.6° |
| C21 | S22 | C25 | 103.8° | 101.9° |
| C21 | S22 | O24 | 108.2° | 108.6° |
| S22 | C21 | H12 | 108.7° | 109.5° |
| S22 | C21 | H13 | 108.7° | 109.4° |
| O23 | S22 | C25 | 108.9° | 108.6° |
| O23 | S22 | O24 | 117.4° | 119.2° |
| C25 | S22 | O24 | 109.2° | 108.6° |
| S22 | C25 | H14 | 109.5° | 109.5° |
| S22 | C25 | H15 | 109.5° | 109.5° |
| S22 | C25 | H16 | 109.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.7° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.4° |
| H12 | C21 | H13 | 109.5° | 109.5° |
| H14 | C25 | H15 | 109.5° | 109.5° |
| H14 | C25 | H16 | 109.5° | 109.4° |
| H15 | C25 | H16 | 109.5° | 109.4° |
| H18 | C19 | H19 | 109.5° | 109.5° |
| H18 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H20 | 109.4° | 109.5° |
| H23 | C2 | H24 | 109.5° | 109.5° |
| H25 | C1 | H26 | 109.4° | 109.5° |
| H25 | C1 | H27 | 109.5° | 109.4° |
| H26 | C1 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C10 | H30 | 180.0° | 179.5° |
| C11 | C12 | C13 | H29 | 180.0° | 179.1° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.8° |
| C12 | C11 | C10 | H8 | 179.9° | 179.7° |
| C11 | C12 | C13 | H9 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.6° |
| C11 | C10 | C9 | H8 | 180.0° | 179.7° |
| C11 | C10 | C9 | C14 | 0.1° | 0.3° |
| C11 | C10 | C9 | C7 | 177.6° | 179.7° |
| C10 | C11 | C12 | H29 | 180.0° | 179.7° |
| C12 | C13 | C14 | H9 | 180.0° | 179.5° |
| C12 | C13 | C14 | C9 | 0.0° | 0.5° |
| C12 | C13 | C14 | H28 | 179.9° | 179.4° |
| C13 | C12 | C11 | H30 | 180.0° | 179.9° |
| C10 | C9 | C14 | C13 | 0.1° | 0.1° |
| C10 | C9 | C14 | C7 | 177.6° | 180.0° |
| C10 | C9 | C7 | N6 | 47.7° | 140.0° |
| C10 | C9 | C7 | C8 | 84.5° | 20.7° |
| C10 | C9 | C7 | H5 | 159.8° | 99.7° |
| C10 | C9 | C14 | H28 | 179.9° | 180.0° |
| C9 | C10 | C11 | H30 | 179.9° | 179.5° |
| C13 | C14 | C9 | H28 | 180.0° | 179.9° |
| C13 | C14 | C9 | C7 | 177.7° | 180.0° |
| C14 | C13 | C12 | H29 | 180.0° | 180.0° |
| N6 | C5 | C4 | H3 | 120.1° | 119.8° |
| N6 | C5 | C4 | H4 | 120.1° | 119.7° |
| C5 | N6 | C7 | C9 | 94.4° | 66.3° |
| C5 | N6 | C15 | O16 | 6.0° | 174.4° |
| C5 | N6 | C15 | C7 | 174.8° | 179.9° |
| C5 | N6 | C15 | N17 | 176.7° | 5.6° |
| N6 | C5 | C4 | C3 | 59.4° | 54.6° |
| C5 | N6 | C7 | C8 | 43.1° | 53.6° |
| N6 | C5 | C4 | H1 | 179.6° | 174.6° |
| N6 | C5 | C4 | H2 | 60.8° | 65.4° |
| N6 | C5 | H3 | H4 | 119.8° | 120.3° |
| C5 | N6 | C7 | H5 | 153.8° | 173.4° |
| C4 | C5 | N6 | C15 | 119.0° | 126.3° |
| C4 | C5 | N6 | C7 | 55.9° | 53.6° |
| C5 | C4 | C3 | H1 | 120.2° | 119.9° |
| C5 | C4 | C3 | H2 | 120.2° | 120.0° |
| C5 | C4 | C3 | C8 | 53.3° | 61.4° |
| C5 | C4 | C3 | C2 | 178.2° | 178.6° |
| C5 | C4 | H1 | H2 | 119.4° | 120.1° |
| C4 | C5 | H3 | H4 | 119.7° | 120.4° |
| C5 | C4 | C3 | H22 | 63.8° | 58.6° |
| C19 | C18 | N17 | C15 | 77.3° | 85.0° |
| C19 | C18 | N17 | C20 | 122.0° | 120.0° |
| C19 | C18 | N17 | H17 | 119.6° | 120.1° |
| C19 | C18 | C20 | H17 | 119.2° | 120.0° |
| C19 | C18 | C20 | C21 | 167.9° | 175.0° |
| C19 | C18 | C20 | H10 | 47.5° | 64.9° |
| C19 | C18 | C20 | H11 | 71.6° | 55.0° |
| C18 | C19 | H18 | H19 | 120.0° | 120.0° |
| C18 | C19 | H18 | H20 | 120.0° | 120.0° |
| C18 | C19 | H19 | H20 | 120.0° | 120.0° |
| C19 | C18 | N17 | H21 | 102.7° | 95.0° |
| C14 | C9 | C7 | N6 | 129.8° | 40.0° |
| C14 | C9 | C7 | C8 | 97.9° | 159.4° |
| C14 | C9 | C7 | H5 | 17.7° | 80.3° |
| C14 | C9 | C10 | H8 | 179.9° | 180.0° |
| C9 | C14 | C13 | H9 | 180.0° | 180.0° |
| C9 | C7 | N6 | C15 | 90.9° | 113.8° |
| C9 | C7 | N6 | C8 | 137.4° | 119.9° |
| C9 | C7 | N6 | H5 | 111.8° | 120.4° |
| C9 | C7 | C8 | H5 | 115.8° | 120.4° |
| C9 | C7 | C8 | C3 | 96.2° | 65.3° |
| C9 | C7 | C8 | H6 | 142.5° | 174.7° |
| C9 | C7 | C8 | H7 | 25.2° | 54.7° |
| C7 | C9 | C10 | H8 | 2.3° | 0.1° |
| C7 | C9 | C14 | H28 | 2.3° | 0.0° |
| O16 | C15 | N6 | N17 | 177.3° | 180.0° |
| O16 | C15 | N6 | C7 | 168.7° | 5.5° |
| O16 | C15 | N17 | C18 | 5.7° | 5.3° |
| O16 | C15 | N17 | H21 | 174.3° | 174.7° |
| C15 | N6 | C7 | C8 | 131.7° | 126.3° |
| N6 | C15 | N17 | C18 | 177.0° | 174.7° |
| C15 | N6 | C5 | H3 | 120.9° | 6.5° |
| C15 | N6 | C5 | H4 | 1.1° | 113.9° |
| C15 | N6 | C7 | H5 | 20.9° | 6.6° |
| N6 | C15 | N17 | H21 | 3.0° | 5.3° |
| C7 | N6 | C15 | N17 | 8.6° | 174.5° |
| N6 | C7 | C8 | H5 | 111.1° | 119.7° |
| N6 | C7 | C8 | C3 | 37.0° | 54.7° |
| C7 | N6 | C5 | H3 | 64.1° | 173.4° |
| C7 | N6 | C5 | H4 | 176.0° | 66.2° |
| N6 | C7 | C8 | H6 | 84.4° | 65.3° |
| N6 | C7 | C8 | H7 | 158.3° | 174.7° |
| C15 | N17 | C18 | H21 | 180.0° | 180.0° |
| C15 | N17 | C18 | C20 | 160.7° | 155.0° |
| C15 | N17 | C18 | H17 | 42.3° | 35.0° |
| C4 | C3 | C8 | C7 | 43.8° | 61.4° |
| C4 | C3 | C8 | C2 | 124.4° | 120.0° |
| C4 | C3 | C8 | H22 | 117.2° | 120.0° |
| C4 | C3 | C2 | H22 | 118.0° | 120.0° |
| C4 | C3 | C2 | C1 | 171.5° | 65.0° |
| C3 | C4 | H1 | H2 | 119.4° | 120.1° |
| C3 | C4 | C5 | H3 | 60.7° | 174.4° |
| C3 | C4 | C5 | H4 | 179.5° | 65.1° |
| C4 | C3 | C8 | H6 | 77.5° | 58.6° |
| C4 | C3 | C8 | H7 | 165.2° | 178.6° |
| C4 | C3 | C2 | H23 | 67.3° | 55.0° |
| C4 | C3 | C2 | H24 | 50.3° | 175.0° |
| C7 | C8 | C3 | H6 | 121.3° | 120.0° |
| C7 | C8 | C3 | H7 | 121.3° | 120.0° |
| C7 | C8 | C3 | C2 | 168.3° | 178.6° |
| C7 | C8 | H6 | H7 | 115.7° | 120.0° |
| C7 | C8 | C3 | H22 | 73.4° | 58.6° |
| N17 | C18 | C20 | H17 | 119.1° | 120.0° |
| N17 | C18 | C20 | C21 | 70.3° | 65.0° |
| N17 | C18 | C20 | H10 | 169.3° | 55.0° |
| N17 | C18 | C20 | H11 | 50.1° | 175.0° |
| N17 | C18 | C19 | H18 | 180.0° | 180.0° |
| N17 | C18 | C19 | H19 | 60.0° | 60.0° |
| N17 | C18 | C19 | H20 | 60.0° | 60.0° |
| C18 | C20 | C21 | H10 | 120.4° | 120.1° |
| C18 | C20 | C21 | H11 | 120.4° | 120.0° |
| C18 | C20 | C21 | S22 | 101.9° | 180.0° |
| C18 | C20 | H10 | H11 | 118.6° | 120.0° |
| C18 | C20 | C21 | H12 | 137.6° | 60.0° |
| C18 | C20 | C21 | H13 | 18.5° | 60.0° |
| C20 | C18 | C19 | H18 | 59.1° | 60.0° |
| C20 | C18 | C19 | H19 | 179.1° | 180.0° |
| C20 | C18 | C19 | H20 | 60.9° | 60.0° |
| C20 | C18 | N17 | H21 | 19.3° | 25.0° |
| C8 | C3 | C2 | H22 | 118.4° | 120.0° |
| C8 | C3 | C2 | C1 | 47.9° | 174.9° |
| C8 | C3 | C4 | H1 | 173.5° | 178.7° |
| C8 | C3 | C4 | H2 | 66.9° | 58.6° |
| C3 | C8 | C7 | H5 | 148.1° | 174.4° |
| C3 | C8 | H6 | H7 | 115.7° | 120.1° |
| C8 | C3 | C2 | H23 | 169.1° | 65.1° |
| C8 | C3 | C2 | H24 | 73.4° | 55.0° |
| C3 | C2 | C1 | H23 | 121.2° | 120.0° |
| C3 | C2 | C1 | H24 | 121.2° | 119.9° |
| C2 | C3 | C4 | H1 | 61.5° | 58.7° |
| C2 | C3 | C4 | H2 | 58.0° | 61.4° |
| C2 | C3 | C8 | H6 | 46.9° | 61.4° |
| C2 | C3 | C8 | H7 | 70.4° | 58.6° |
| C3 | C2 | H23 | H24 | 116.1° | 120.0° |
| C3 | C2 | C1 | H25 | 180.0° | 180.0° |
| C3 | C2 | C1 | H26 | 60.0° | 60.0° |
| C3 | C2 | C1 | H27 | 60.0° | 60.1° |
| C1 | C2 | C3 | H22 | 70.5° | 54.9° |
| C1 | C2 | H23 | H24 | 116.2° | 120.0° |
| C2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C2 | C1 | H25 | H27 | 120.0° | 119.9° |
| C2 | C1 | H26 | H27 | 120.0° | 120.0° |
| C20 | C21 | S22 | H12 | 120.4° | 120.0° |
| C20 | C21 | S22 | H13 | 120.5° | 120.0° |
| C20 | C21 | S22 | O23 | 30.7° | 65.5° |
| C20 | C21 | S22 | C25 | 85.0° | 180.0° |
| C20 | C21 | S22 | O24 | 159.1° | 65.5° |
| C21 | C20 | H10 | H11 | 118.7° | 120.0° |
| C20 | C21 | H12 | H13 | 118.7° | 120.0° |
| C21 | C20 | C18 | H17 | 48.8° | 55.0° |
| C21 | S22 | O23 | C25 | 112.3° | 110.1° |
| C21 | S22 | O23 | O24 | 123.0° | 125.0° |
| C21 | S22 | C25 | O24 | 115.2° | 114.5° |
| S22 | C21 | C20 | H10 | 18.5° | 60.0° |
| S22 | C21 | C20 | H11 | 137.7° | 60.0° |
| S22 | C21 | H12 | H13 | 118.7° | 120.0° |
| C21 | S22 | C25 | H14 | 180.0° | 60.0° |
| C21 | S22 | C25 | H15 | 60.0° | 180.0° |
| C21 | S22 | C25 | H16 | 60.0° | 60.0° |
| O23 | S22 | C25 | O24 | 129.4° | 131.0° |
| O23 | S22 | C21 | H12 | 89.8° | 54.5° |
| O23 | S22 | C21 | H13 | 151.1° | 174.5° |
| O23 | S22 | C25 | H14 | 64.5° | 174.5° |
| O23 | S22 | C25 | H15 | 175.5° | 65.5° |
| O23 | S22 | C25 | H16 | 55.5° | 54.5° |
| C25 | S22 | C21 | H12 | 154.6° | 60.0° |
| C25 | S22 | C21 | H13 | 35.4° | 60.0° |
| S22 | C25 | H14 | H15 | 120.0° | 120.1° |
| S22 | C25 | H14 | H16 | 120.0° | 120.0° |
| S22 | C25 | H15 | H16 | 120.0° | 120.0° |
| O24 | S22 | C21 | H12 | 38.7° | 174.5° |
| O24 | S22 | C21 | H13 | 80.4° | 54.5° |
| O24 | S22 | C25 | H14 | 64.8° | 54.5° |
| O24 | S22 | C25 | H15 | 55.2° | 65.5° |
| O24 | S22 | C25 | H16 | 175.2° | 174.5° |
| H1 | C4 | C5 | H3 | 59.5° | 65.6° |
| H1 | C4 | C5 | H4 | 60.3° | 54.8° |
| H1 | C4 | C3 | H22 | 56.4° | 61.3° |
| H2 | C4 | C5 | H3 | 179.1° | 54.4° |
| H2 | C4 | C5 | H4 | 59.3° | 174.9° |
| H2 | C4 | C3 | H22 | 176.0° | 178.6° |
| H5 | C7 | C8 | H6 | 26.7° | 54.4° |
| H5 | C7 | C8 | H7 | 90.6° | 65.6° |
| H6 | C8 | C3 | H22 | 165.3° | 178.6° |
| H7 | C8 | C3 | H22 | 48.0° | 61.4° |
| H8 | C10 | C11 | H30 | 0.1° | 0.2° |
| H9 | C13 | C14 | H28 | 0.0° | 0.0° |
| H9 | C13 | C12 | H29 | 0.0° | 0.6° |
| H10 | C20 | C21 | H12 | 101.9° | 60.0° |
| H10 | C20 | C21 | H13 | 139.0° | 179.9° |
| H10 | C20 | C18 | H17 | 71.7° | 175.0° |
| H11 | C20 | C21 | H12 | 17.2° | 180.0° |
| H11 | C20 | C21 | H13 | 101.9° | 60.0° |
| H11 | C20 | C18 | H17 | 169.2° | 65.0° |
| H14 | C25 | H15 | H16 | 120.0° | 119.9° |
| H17 | C18 | C19 | H18 | 60.0° | 60.0° |
| H17 | C18 | C19 | H19 | 60.1° | 60.0° |
| H17 | C18 | C19 | H20 | 180.0° | 180.0° |
| H17 | C18 | N17 | H21 | 137.7° | 145.0° |
| H18 | C19 | H19 | H20 | 120.0° | 120.0° |
| H22 | C3 | C2 | H23 | 50.7° | 174.9° |
| H22 | C3 | C2 | H24 | 168.3° | 65.0° |
| H23 | C2 | C1 | H25 | 58.8° | 60.0° |
| H23 | C2 | C1 | H26 | 178.8° | 179.9° |
| H23 | C2 | C1 | H27 | 61.2° | 59.9° |
| H24 | C2 | C1 | H25 | 58.8° | 60.1° |
| H24 | C2 | C1 | H26 | 61.2° | 60.0° |
| H24 | C2 | C1 | H27 | 178.8° | 180.0° |
| H25 | C1 | H26 | H27 | 120.0° | 120.0° |
| H29 | C12 | C11 | H30 | 0.0° | 0.8° |
